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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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/Human-8cb31200/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Human-8cb31200/inputs/seq.fa: 1 curr_seq: _UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGGUUCGUGCUGAAGGCCUGUAUCCUAGGCUACACACUGAGGACUCUGUUCCUCCCCUUUCCGCCUAGGGGAAAGUCCCCGGACCUCGGGCAGAGAGUGCCACGUGCAUACGCACGUAGACAUUCCCCGCUUCCCACUCCAAAGUCCGCCAAGAAGCGUAUCCCGCUGAGCGGCGUGGCGCGGGGGCGUCAUCCGUCAGCUCCCUCUAGUUACGCAGGCAGUGCGUGUCCGCGCACCAACCACACGGGGCUCAUUCUCAGCGCGGCUGUU 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 270 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: 1355 n_atoms_counter: 1355 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 270.000000 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: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 1 Temperature: 0.950000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 1 Temperature: 1.350000 Total energy: -1092.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.431248 (E_RNA) where: Base-Base interactions energy: -41.682 where: short stacking energy: -41.682 Base-Backbone interact. energy: -0.000 local terms energy: -1050.748842 where: bonds (distance) C4'-P energy: -262.326 bonds (distance) P-C4' energy: -242.451 flat angles C4'-P-C4' energy: -198.241 flat angles P-C4'-P energy: -226.766 tors. eta vs tors. theta energy: -120.965 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: 2 Temperature: 0.900000 Total energy: -1342.313593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.313593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.313593 (E_RNA) where: Base-Base interactions energy: -575.870 where: short stacking energy: -574.663 Base-Backbone interact. energy: -0.099 local terms energy: -766.345076 where: bonds (distance) C4'-P energy: -153.047 bonds (distance) P-C4' energy: -170.171 flat angles C4'-P-C4' energy: -184.732 flat angles P-C4'-P energy: -115.923 tors. eta vs tors. theta energy: -142.472 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1270.281053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.281053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.281053 (E_RNA) where: Base-Base interactions energy: -515.319 where: short stacking energy: -513.444 Base-Backbone interact. energy: -0.037 local terms energy: -754.924968 where: bonds (distance) C4'-P energy: -168.374 bonds (distance) P-C4' energy: -182.078 flat angles C4'-P-C4' energy: -177.326 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -130.411 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: 2 Temperature: 1.000000 Total energy: -1220.967772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.967772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.967772 (E_RNA) where: Base-Base interactions energy: -502.451 where: short stacking energy: -500.548 Base-Backbone interact. energy: -0.165 local terms energy: -718.351271 where: bonds (distance) C4'-P energy: -169.196 bonds (distance) P-C4' energy: -165.478 flat angles C4'-P-C4' energy: -181.829 flat angles P-C4'-P energy: -88.996 tors. eta vs tors. theta energy: -112.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1094.713887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.713887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.713887 (E_RNA) where: Base-Base interactions energy: -94.920 where: short stacking energy: -94.920 Base-Backbone interact. energy: -0.000 local terms energy: -999.794075 where: bonds (distance) C4'-P energy: -234.348 bonds (distance) P-C4' energy: -215.016 flat angles C4'-P-C4' energy: -198.940 flat angles P-C4'-P energy: -217.844 tors. eta vs tors. theta energy: -133.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1096.599251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.599251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.599251 (E_RNA) where: Base-Base interactions energy: -187.741 where: short stacking energy: -187.741 Base-Backbone interact. energy: -0.000 local terms energy: -908.857999 where: bonds (distance) C4'-P energy: -192.592 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -198.353 flat angles P-C4'-P energy: -197.933 tors. eta vs tors. theta energy: -137.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1099.160075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.160075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.160075 (E_RNA) where: Base-Base interactions energy: -102.525 where: short stacking energy: -102.525 Base-Backbone interact. energy: -0.000 local terms energy: -996.634999 where: bonds (distance) C4'-P energy: -234.365 bonds (distance) P-C4' energy: -213.519 flat angles C4'-P-C4' energy: -200.192 flat angles P-C4'-P energy: -217.020 tors. eta vs tors. theta energy: -131.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1099.006680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.006680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.006680 (E_RNA) where: Base-Base interactions energy: -82.690 where: short stacking energy: -82.690 Base-Backbone interact. energy: -0.000 local terms energy: -1016.316868 where: bonds (distance) C4'-P energy: -244.078 bonds (distance) P-C4' energy: -226.582 flat angles C4'-P-C4' energy: -196.966 flat angles P-C4'-P energy: -220.180 tors. eta vs tors. theta energy: -128.511 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: 2 Temperature: 1.250000 Total energy: -1093.689783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.689783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.689783 (E_RNA) where: Base-Base interactions energy: -91.816 where: short stacking energy: -91.816 Base-Backbone interact. energy: -0.000 local terms energy: -1001.873237 where: bonds (distance) C4'-P energy: -235.397 bonds (distance) P-C4' energy: -215.727 flat angles C4'-P-C4' energy: -200.576 flat angles P-C4'-P energy: -217.918 tors. eta vs tors. theta energy: -132.256 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1092.054323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.054323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.054323 (E_RNA) where: Base-Base interactions energy: -103.705 where: short stacking energy: -103.705 Base-Backbone interact. energy: -0.000 local terms energy: -988.349360 where: bonds (distance) C4'-P energy: -229.038 bonds (distance) P-C4' energy: -211.097 flat angles C4'-P-C4' energy: -202.798 flat angles P-C4'-P energy: -215.754 tors. eta vs tors. theta energy: -129.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1091.005314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.005314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.005314 (E_RNA) where: Base-Base interactions energy: -43.049 where: short stacking energy: -43.049 Base-Backbone interact. energy: -0.000 local terms energy: -1047.955835 where: bonds (distance) C4'-P energy: -261.854 bonds (distance) P-C4' energy: -240.425 flat angles C4'-P-C4' energy: -198.311 flat angles P-C4'-P energy: -226.254 tors. eta vs tors. theta energy: -121.111 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: 3 Temperature: 0.900000 Total energy: -1376.543539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.543539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.543539 (E_RNA) where: Base-Base interactions energy: -612.949 where: short stacking energy: -595.290 Base-Backbone interact. energy: -0.596 local terms energy: -762.999410 where: bonds (distance) C4'-P energy: -159.054 bonds (distance) P-C4' energy: -168.548 flat angles C4'-P-C4' energy: -160.811 flat angles P-C4'-P energy: -124.744 tors. eta vs tors. theta energy: -149.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1297.510952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.510952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.510952 (E_RNA) where: Base-Base interactions energy: -588.579 where: short stacking energy: -572.172 Base-Backbone interact. energy: -0.553 local terms energy: -708.378727 where: bonds (distance) C4'-P energy: -163.641 bonds (distance) P-C4' energy: -158.363 flat angles C4'-P-C4' energy: -160.456 flat angles P-C4'-P energy: -96.606 tors. eta vs tors. theta energy: -129.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1207.209852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.209852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.209852 (E_RNA) where: Base-Base interactions energy: -523.786 where: short stacking energy: -515.100 Base-Backbone interact. energy: 0.209 local terms energy: -683.633221 where: bonds (distance) C4'-P energy: -152.221 bonds (distance) P-C4' energy: -160.875 flat angles C4'-P-C4' energy: -158.269 flat angles P-C4'-P energy: -93.511 tors. eta vs tors. theta energy: -118.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1083.275366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.275366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.275366 (E_RNA) where: Base-Base interactions energy: -443.345 where: short stacking energy: -428.399 Base-Backbone interact. energy: -0.048 local terms energy: -639.882199 where: bonds (distance) C4'-P energy: -147.244 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -153.742 flat angles P-C4'-P energy: -97.777 tors. eta vs tors. theta energy: -83.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1040.225711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.225711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.225711 (E_RNA) where: Base-Base interactions energy: -427.550 where: short stacking energy: -407.284 Base-Backbone interact. energy: 0.005 local terms energy: -612.679940 where: bonds (distance) C4'-P energy: -149.424 bonds (distance) P-C4' energy: -156.636 flat angles C4'-P-C4' energy: -145.006 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -80.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -920.952356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.952356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.952356 (E_RNA) where: Base-Base interactions energy: -353.580 where: short stacking energy: -352.642 Base-Backbone interact. energy: 2.724 local terms energy: -570.095601 where: bonds (distance) C4'-P energy: -137.078 bonds (distance) P-C4' energy: -135.865 flat angles C4'-P-C4' energy: -164.839 flat angles P-C4'-P energy: -68.062 tors. eta vs tors. theta energy: -64.251 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: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -864.652925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.652925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.652925 (E_RNA) where: Base-Base interactions energy: -336.070 where: short stacking energy: -320.811 Base-Backbone interact. energy: 3.634 local terms energy: -532.217076 where: bonds (distance) C4'-P energy: -145.436 bonds (distance) P-C4' energy: -134.503 flat angles C4'-P-C4' energy: -124.903 flat angles P-C4'-P energy: -85.427 tors. eta vs tors. theta energy: -41.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -793.418328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.418328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.418328 (E_RNA) where: Base-Base interactions energy: -305.246 where: short stacking energy: -294.113 Base-Backbone interact. energy: 3.388 local terms energy: -491.561153 where: bonds (distance) C4'-P energy: -141.180 bonds (distance) P-C4' energy: -131.195 flat angles C4'-P-C4' energy: -114.843 flat angles P-C4'-P energy: -77.212 tors. eta vs tors. theta energy: -27.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -715.216708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.216708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.216708 (E_RNA) where: Base-Base interactions energy: -259.232 where: short stacking energy: -249.486 Base-Backbone interact. energy: 1.136 local terms energy: -457.120172 where: bonds (distance) C4'-P energy: -113.108 bonds (distance) P-C4' energy: -127.450 flat angles C4'-P-C4' energy: -121.227 flat angles P-C4'-P energy: -70.136 tors. eta vs tors. theta energy: -25.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -668.738165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.738165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.738165 (E_RNA) where: Base-Base interactions energy: -222.398 where: short stacking energy: -209.040 Base-Backbone interact. energy: 0.324 local terms energy: -446.664877 where: bonds (distance) C4'-P energy: -118.609 bonds (distance) P-C4' energy: -132.607 flat angles C4'-P-C4' energy: -134.940 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: 5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1418.217876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.217876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.217876 (E_RNA) where: Base-Base interactions energy: -625.195 where: short stacking energy: -608.288 Base-Backbone interact. energy: 1.344 local terms energy: -794.367395 where: bonds (distance) C4'-P energy: -168.988 bonds (distance) P-C4' energy: -177.677 flat angles C4'-P-C4' energy: -174.112 flat angles P-C4'-P energy: -105.573 tors. eta vs tors. theta energy: -168.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1352.429639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.429639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.429639 (E_RNA) where: Base-Base interactions energy: -591.574 where: short stacking energy: -546.312 Base-Backbone interact. energy: -0.403 local terms energy: -760.452344 where: bonds (distance) C4'-P energy: -163.741 bonds (distance) P-C4' energy: -170.035 flat angles C4'-P-C4' energy: -187.967 flat angles P-C4'-P energy: -109.197 tors. eta vs tors. theta energy: -129.512 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: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1233.908336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.908336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.908336 (E_RNA) where: Base-Base interactions energy: -530.956 where: short stacking energy: -489.172 Base-Backbone interact. energy: -0.680 local terms energy: -702.272202 where: bonds (distance) C4'-P energy: -159.877 bonds (distance) P-C4' energy: -160.725 flat angles C4'-P-C4' energy: -175.347 flat angles P-C4'-P energy: -103.841 tors. eta vs tors. theta energy: -102.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1197.889459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.889459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.889459 (E_RNA) where: Base-Base interactions energy: -522.195 where: short stacking energy: -494.309 Base-Backbone interact. energy: 0.671 local terms energy: -676.365556 where: bonds (distance) C4'-P energy: -156.470 bonds (distance) P-C4' energy: -164.919 flat angles C4'-P-C4' energy: -147.681 flat angles P-C4'-P energy: -89.747 tors. eta vs tors. theta energy: -117.548 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: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1112.740013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.740013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.740013 (E_RNA) where: Base-Base interactions energy: -499.801 where: short stacking energy: -413.500 Base-Backbone interact. energy: -1.238 local terms energy: -611.701310 where: bonds (distance) C4'-P energy: -153.106 bonds (distance) P-C4' energy: -137.974 flat angles C4'-P-C4' energy: -145.547 flat angles P-C4'-P energy: -92.359 tors. eta vs tors. theta energy: -82.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -938.791291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.791291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.791291 (E_RNA) where: Base-Base interactions energy: -362.243 where: short stacking energy: -355.412 Base-Backbone interact. energy: 4.342 local terms energy: -580.889838 where: bonds (distance) C4'-P energy: -152.389 bonds (distance) P-C4' energy: -165.722 flat angles C4'-P-C4' energy: -125.226 flat angles P-C4'-P energy: -77.749 tors. eta vs tors. theta energy: -59.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -870.246841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.246841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.246841 (E_RNA) where: Base-Base interactions energy: -333.941 where: short stacking energy: -313.199 Base-Backbone interact. energy: 1.701 local terms energy: -538.007249 where: bonds (distance) C4'-P energy: -151.179 bonds (distance) P-C4' energy: -152.418 flat angles C4'-P-C4' energy: -140.881 flat angles P-C4'-P energy: -56.070 tors. eta vs tors. theta energy: -37.459 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: 8 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -845.077010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.077010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.077010 (E_RNA) where: Base-Base interactions energy: -327.972 where: short stacking energy: -291.778 Base-Backbone interact. energy: -2.879 local terms energy: -514.226501 where: bonds (distance) C4'-P energy: -141.302 bonds (distance) P-C4' energy: -133.778 flat angles C4'-P-C4' energy: -137.717 flat angles P-C4'-P energy: -69.895 tors. eta vs tors. theta energy: -31.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -724.706330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.706330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.706330 (E_RNA) where: Base-Base interactions energy: -261.800 where: short stacking energy: -207.112 Base-Backbone interact. energy: 1.558 local terms energy: -464.463568 where: bonds (distance) C4'-P energy: -139.811 bonds (distance) P-C4' energy: -134.786 flat angles C4'-P-C4' energy: -129.957 flat angles P-C4'-P energy: -77.409 tors. eta vs tors. theta energy: 17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -641.079926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.079926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.079926 (E_RNA) where: Base-Base interactions energy: -209.848 where: short stacking energy: -199.615 Base-Backbone interact. energy: 1.703 local terms energy: -432.934972 where: bonds (distance) C4'-P energy: -124.159 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -117.183 flat angles P-C4'-P energy: -64.037 tors. eta vs tors. theta energy: 11.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1430.702621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.702621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.702621 (E_RNA) where: Base-Base interactions energy: -665.539 where: short stacking energy: -621.104 Base-Backbone interact. energy: 0.021 local terms energy: -765.183987 where: bonds (distance) C4'-P energy: -155.506 bonds (distance) P-C4' energy: -175.780 flat angles C4'-P-C4' energy: -178.796 flat angles P-C4'-P energy: -104.836 tors. eta vs tors. theta energy: -150.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1347.098793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.098793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.098793 (E_RNA) where: Base-Base interactions energy: -604.594 where: short stacking energy: -550.603 Base-Backbone interact. energy: -0.727 local terms energy: -741.777839 where: bonds (distance) C4'-P energy: -169.619 bonds (distance) P-C4' energy: -162.498 flat angles C4'-P-C4' energy: -154.831 flat angles P-C4'-P energy: -119.397 tors. eta vs tors. theta energy: -135.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1238.213797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.213797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.213797 (E_RNA) where: Base-Base interactions energy: -535.964 where: short stacking energy: -507.697 Base-Backbone interact. energy: -1.209 local terms energy: -701.040131 where: bonds (distance) C4'-P energy: -166.298 bonds (distance) P-C4' energy: -162.332 flat angles C4'-P-C4' energy: -169.681 flat angles P-C4'-P energy: -96.461 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: 4, replica: 3 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1199.495239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.495239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.495239 (E_RNA) where: Base-Base interactions energy: -514.179 where: short stacking energy: -481.123 Base-Backbone interact. energy: -1.957 local terms energy: -683.359444 where: bonds (distance) C4'-P energy: -165.431 bonds (distance) P-C4' energy: -157.733 flat angles C4'-P-C4' energy: -160.090 flat angles P-C4'-P energy: -96.885 tors. eta vs tors. theta energy: -103.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1103.791638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.791638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.791638 (E_RNA) where: Base-Base interactions energy: -486.464 where: short stacking energy: -409.063 Base-Backbone interact. energy: 3.322 local terms energy: -620.649444 where: bonds (distance) C4'-P energy: -154.773 bonds (distance) P-C4' energy: -155.405 flat angles C4'-P-C4' energy: -146.324 flat angles P-C4'-P energy: -94.804 tors. eta vs tors. theta energy: -69.344 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: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1003.112394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.112394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.112394 (E_RNA) where: Base-Base interactions energy: -432.620 where: short stacking energy: -379.498 Base-Backbone interact. energy: -2.529 local terms energy: -567.963835 where: bonds (distance) C4'-P energy: -141.764 bonds (distance) P-C4' energy: -145.116 flat angles C4'-P-C4' energy: -137.646 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -50.957 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: 5 Temperature: 1.200000 Total energy: -869.877743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.877743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.877743 (E_RNA) where: Base-Base interactions energy: -370.242 where: short stacking energy: -320.972 Base-Backbone interact. energy: 0.006 local terms energy: -499.641660 where: bonds (distance) C4'-P energy: -128.905 bonds (distance) P-C4' energy: -145.517 flat angles C4'-P-C4' energy: -129.762 flat angles P-C4'-P energy: -78.982 tors. eta vs tors. theta energy: -16.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -828.186761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.186761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.186761 (E_RNA) where: Base-Base interactions energy: -327.626 where: short stacking energy: -251.753 Base-Backbone interact. energy: 3.891 local terms energy: -504.451594 where: bonds (distance) C4'-P energy: -150.533 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -142.063 flat angles P-C4'-P energy: -70.004 tors. eta vs tors. theta energy: 7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -766.886200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.886200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.886200 (E_RNA) where: Base-Base interactions energy: -337.911 where: short stacking energy: -260.667 Base-Backbone interact. energy: 0.788 local terms energy: -429.763127 where: bonds (distance) C4'-P energy: -119.843 bonds (distance) P-C4' energy: -139.380 flat angles C4'-P-C4' energy: -109.877 flat angles P-C4'-P energy: -71.864 tors. eta vs tors. theta energy: 11.201 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: 5 Temperature: 1.350000 Total energy: -635.343964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.343964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.343964 (E_RNA) where: Base-Base interactions energy: -209.717 where: short stacking energy: -187.378 Base-Backbone interact. energy: 4.461 local terms energy: -430.087679 where: bonds (distance) C4'-P energy: -142.582 bonds (distance) P-C4' energy: -127.165 flat angles C4'-P-C4' energy: -109.516 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: 11.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1492.407031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.407031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.407031 (E_RNA) where: Base-Base interactions energy: -709.849 where: short stacking energy: -663.039 Base-Backbone interact. energy: -0.094 local terms energy: -782.463742 where: bonds (distance) C4'-P energy: -146.306 bonds (distance) P-C4' energy: -173.823 flat angles C4'-P-C4' energy: -174.262 flat angles P-C4'-P energy: -127.300 tors. eta vs tors. theta energy: -160.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1426.716965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.716965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.716965 (E_RNA) where: Base-Base interactions energy: -675.193 where: short stacking energy: -596.420 Base-Backbone interact. energy: -0.575 local terms energy: -750.949166 where: bonds (distance) C4'-P energy: -149.698 bonds (distance) P-C4' energy: -166.950 flat angles C4'-P-C4' energy: -180.499 flat angles P-C4'-P energy: -115.398 tors. eta vs tors. theta energy: -138.404 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: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1260.761244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.761244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.761244 (E_RNA) where: Base-Base interactions energy: -549.866 where: short stacking energy: -497.153 Base-Backbone interact. energy: 2.033 local terms energy: -712.927933 where: bonds (distance) C4'-P energy: -159.432 bonds (distance) P-C4' energy: -176.340 flat angles C4'-P-C4' energy: -177.915 flat angles P-C4'-P energy: -90.831 tors. eta vs tors. theta energy: -108.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1161.975586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.975586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.975586 (E_RNA) where: Base-Base interactions energy: -515.557 where: short stacking energy: -416.720 Base-Backbone interact. energy: -2.389 local terms energy: -644.029486 where: bonds (distance) C4'-P energy: -144.724 bonds (distance) P-C4' energy: -165.318 flat angles C4'-P-C4' energy: -166.250 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -80.678 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: 6 Temperature: 1.100000 Total energy: -1050.129170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.129170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.129170 (E_RNA) where: Base-Base interactions energy: -449.040 where: short stacking energy: -370.598 Base-Backbone interact. energy: -2.148 local terms energy: -598.941309 where: bonds (distance) C4'-P energy: -136.365 bonds (distance) P-C4' energy: -164.231 flat angles C4'-P-C4' energy: -136.984 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -78.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1017.830782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.830782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.830782 (E_RNA) where: Base-Base interactions energy: -486.339 where: short stacking energy: -371.887 Base-Backbone interact. energy: 0.655 local terms energy: -532.146498 where: bonds (distance) C4'-P energy: -130.701 bonds (distance) P-C4' energy: -145.611 flat angles C4'-P-C4' energy: -121.580 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -51.583 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: 6 Temperature: 1.200000 Total energy: -906.415259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.415259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.415259 (E_RNA) where: Base-Base interactions energy: -404.448 where: short stacking energy: -287.414 Base-Backbone interact. energy: 2.767 local terms energy: -504.733455 where: bonds (distance) C4'-P energy: -132.262 bonds (distance) P-C4' energy: -160.170 flat angles C4'-P-C4' energy: -123.318 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -16.193 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: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -908.713628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.713628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.713628 (E_RNA) where: Base-Base interactions energy: -406.380 where: short stacking energy: -271.570 Base-Backbone interact. energy: -0.032 local terms energy: -502.301700 where: bonds (distance) C4'-P energy: -148.983 bonds (distance) P-C4' energy: -145.058 flat angles C4'-P-C4' energy: -127.391 flat angles P-C4'-P energy: -86.726 tors. eta vs tors. theta energy: 5.857 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: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -802.461082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.461082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.461082 (E_RNA) where: Base-Base interactions energy: -299.936 where: short stacking energy: -221.794 Base-Backbone interact. energy: 7.136 local terms energy: -509.661456 where: bonds (distance) C4'-P energy: -142.960 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -122.449 flat angles P-C4'-P energy: -83.792 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: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -652.908189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.908189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.908189 (E_RNA) where: Base-Base interactions energy: -233.594 where: short stacking energy: -194.274 Base-Backbone interact. energy: -0.742 local terms energy: -418.572122 where: bonds (distance) C4'-P energy: -124.318 bonds (distance) P-C4' energy: -131.859 flat angles C4'-P-C4' energy: -112.958 flat angles P-C4'-P energy: -64.940 tors. eta vs tors. theta energy: 15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1478.264220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.264220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.264220 (E_RNA) where: Base-Base interactions energy: -674.211 where: short stacking energy: -613.327 Base-Backbone interact. energy: -0.758 local terms energy: -803.295185 where: bonds (distance) C4'-P energy: -174.282 bonds (distance) P-C4' energy: -176.362 flat angles C4'-P-C4' energy: -177.516 flat angles P-C4'-P energy: -124.445 tors. eta vs tors. theta energy: -150.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1402.504597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.504597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.504597 (E_RNA) where: Base-Base interactions energy: -686.583 where: short stacking energy: -539.928 Base-Backbone interact. energy: -0.677 local terms energy: -715.244442 where: bonds (distance) C4'-P energy: -161.210 bonds (distance) P-C4' energy: -159.773 flat angles C4'-P-C4' energy: -163.906 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -128.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1313.478447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.478447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.478447 (E_RNA) where: Base-Base interactions energy: -631.939 where: short stacking energy: -542.314 Base-Backbone interact. energy: 1.888 local terms energy: -683.427837 where: bonds (distance) C4'-P energy: -139.415 bonds (distance) P-C4' energy: -174.972 flat angles C4'-P-C4' energy: -146.874 flat angles P-C4'-P energy: -96.107 tors. eta vs tors. theta energy: -126.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1261.324081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.324081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.324081 (E_RNA) where: Base-Base interactions energy: -615.251 where: short stacking energy: -469.448 Base-Backbone interact. energy: -1.180 local terms energy: -644.893849 where: bonds (distance) C4'-P energy: -151.082 bonds (distance) P-C4' energy: -174.100 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -82.725 tors. eta vs tors. theta energy: -90.260 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: 7 Temperature: 1.100000 Total energy: -1095.373887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.373887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.373887 (E_RNA) where: Base-Base interactions energy: -535.515 where: short stacking energy: -365.887 Base-Backbone interact. energy: 0.339 local terms energy: -560.197366 where: bonds (distance) C4'-P energy: -137.108 bonds (distance) P-C4' energy: -142.317 flat angles C4'-P-C4' energy: -158.405 flat angles P-C4'-P energy: -80.534 tors. eta vs tors. theta energy: -41.833 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1083.726693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.726693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.726693 (E_RNA) where: Base-Base interactions energy: -541.809 where: short stacking energy: -406.765 Base-Backbone interact. energy: 4.908 local terms energy: -546.826008 where: bonds (distance) C4'-P energy: -152.673 bonds (distance) P-C4' energy: -141.580 flat angles C4'-P-C4' energy: -125.676 flat angles P-C4'-P energy: -84.965 tors. eta vs tors. theta energy: -41.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -859.323419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.323419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.323419 (E_RNA) where: Base-Base interactions energy: -368.086 where: short stacking energy: -269.080 Base-Backbone interact. energy: -0.691 local terms energy: -490.546545 where: bonds (distance) C4'-P energy: -125.228 bonds (distance) P-C4' energy: -152.832 flat angles C4'-P-C4' energy: -127.099 flat angles P-C4'-P energy: -61.676 tors. eta vs tors. theta energy: -23.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -907.080335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.080335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.080335 (E_RNA) where: Base-Base interactions energy: -425.976 where: short stacking energy: -295.449 Base-Backbone interact. energy: -3.101 local terms energy: -478.003025 where: bonds (distance) C4'-P energy: -130.114 bonds (distance) P-C4' energy: -153.448 flat angles C4'-P-C4' energy: -114.806 flat angles P-C4'-P energy: -63.130 tors. eta vs tors. theta energy: -16.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -782.893604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.893604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.893604 (E_RNA) where: Base-Base interactions energy: -334.833 where: short stacking energy: -250.702 Base-Backbone interact. energy: -2.324 local terms energy: -445.736038 where: bonds (distance) C4'-P energy: -133.436 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -126.654 flat angles P-C4'-P energy: -66.318 tors. eta vs tors. theta energy: 12.043 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -661.715432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.715432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.715432 (E_RNA) where: Base-Base interactions energy: -229.453 where: short stacking energy: -206.526 Base-Backbone interact. energy: 0.482 local terms energy: -432.744379 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -144.179 flat angles C4'-P-C4' energy: -99.433 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: 12.869 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: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1537.126337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.126337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.126337 (E_RNA) where: Base-Base interactions energy: -733.872 where: short stacking energy: -684.039 Base-Backbone interact. energy: 0.885 local terms energy: -804.139387 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -174.586 flat angles C4'-P-C4' energy: -178.049 flat angles P-C4'-P energy: -113.833 tors. eta vs tors. theta energy: -186.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1523.976333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.976333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.976333 (E_RNA) where: Base-Base interactions energy: -789.318 where: short stacking energy: -609.448 Base-Backbone interact. energy: -1.138 local terms energy: -733.520827 where: bonds (distance) C4'-P energy: -167.642 bonds (distance) P-C4' energy: -169.709 flat angles C4'-P-C4' energy: -164.441 flat angles P-C4'-P energy: -100.946 tors. eta vs tors. theta energy: -130.783 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1458.665733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.665733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.665733 (E_RNA) where: Base-Base interactions energy: -786.474 where: short stacking energy: -562.928 Base-Backbone interact. energy: -0.549 local terms energy: -671.642777 where: bonds (distance) C4'-P energy: -158.160 bonds (distance) P-C4' energy: -155.451 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -92.076 tors. eta vs tors. theta energy: -116.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1245.805641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.805641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.805641 (E_RNA) where: Base-Base interactions energy: -577.685 where: short stacking energy: -474.738 Base-Backbone interact. energy: 0.490 local terms energy: -668.610163 where: bonds (distance) C4'-P energy: -157.287 bonds (distance) P-C4' energy: -147.005 flat angles C4'-P-C4' energy: -162.570 flat angles P-C4'-P energy: -105.854 tors. eta vs tors. theta energy: -95.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1286.022458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.022458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.022458 (E_RNA) where: Base-Base interactions energy: -660.546 where: short stacking energy: -419.334 Base-Backbone interact. energy: -3.891 local terms energy: -621.585148 where: bonds (distance) C4'-P energy: -142.810 bonds (distance) P-C4' energy: -156.800 flat angles C4'-P-C4' energy: -161.505 flat angles P-C4'-P energy: -88.453 tors. eta vs tors. theta energy: -72.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1138.139677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.139677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.139677 (E_RNA) where: Base-Base interactions energy: -579.735 where: short stacking energy: -384.732 Base-Backbone interact. energy: -3.705 local terms energy: -554.699223 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -145.019 flat angles C4'-P-C4' energy: -128.636 flat angles P-C4'-P energy: -90.925 tors. eta vs tors. theta energy: -52.285 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: 7 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1006.650081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.650081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.650081 (E_RNA) where: Base-Base interactions energy: -467.998 where: short stacking energy: -334.862 Base-Backbone interact. energy: 0.107 local terms energy: -538.759484 where: bonds (distance) C4'-P energy: -159.364 bonds (distance) P-C4' energy: -140.636 flat angles C4'-P-C4' energy: -121.238 flat angles P-C4'-P energy: -82.021 tors. eta vs tors. theta energy: -35.501 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: 8 Temperature: 1.250000 Total energy: -945.817812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.817812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.817812 (E_RNA) where: Base-Base interactions energy: -450.638 where: short stacking energy: -323.437 Base-Backbone interact. energy: 2.667 local terms energy: -497.846082 where: bonds (distance) C4'-P energy: -142.426 bonds (distance) P-C4' energy: -157.504 flat angles C4'-P-C4' energy: -118.297 flat angles P-C4'-P energy: -57.291 tors. eta vs tors. theta energy: -22.328 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: 9 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -798.252948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.252948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.252948 (E_RNA) where: Base-Base interactions energy: -368.241 where: short stacking energy: -249.653 Base-Backbone interact. energy: 2.593 local terms energy: -432.604372 where: bonds (distance) C4'-P energy: -118.784 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -125.887 flat angles P-C4'-P energy: -62.157 tors. eta vs tors. theta energy: 23.700 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -689.111409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.111409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.111409 (E_RNA) where: Base-Base interactions energy: -275.665 where: short stacking energy: -196.793 Base-Backbone interact. energy: 4.392 local terms energy: -417.837999 where: bonds (distance) C4'-P energy: -134.972 bonds (distance) P-C4' energy: -137.274 flat angles C4'-P-C4' energy: -125.947 flat angles P-C4'-P energy: -55.385 tors. eta vs tors. theta energy: 35.740 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1568.171728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.171728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.171728 (E_RNA) where: Base-Base interactions energy: -774.992 where: short stacking energy: -629.964 Base-Backbone interact. energy: -1.007 local terms energy: -792.172915 where: bonds (distance) C4'-P energy: -164.628 bonds (distance) P-C4' energy: -177.144 flat angles C4'-P-C4' energy: -169.248 flat angles P-C4'-P energy: -116.538 tors. eta vs tors. theta energy: -164.614 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1624.642699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.642699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.642699 (E_RNA) where: Base-Base interactions energy: -872.992 where: short stacking energy: -598.580 Base-Backbone interact. energy: -2.085 local terms energy: -749.565963 where: bonds (distance) C4'-P energy: -173.815 bonds (distance) P-C4' energy: -148.690 flat angles C4'-P-C4' energy: -156.398 flat angles P-C4'-P energy: -115.280 tors. eta vs tors. theta energy: -155.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1472.985511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.985511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.985511 (E_RNA) where: Base-Base interactions energy: -768.695 where: short stacking energy: -541.542 Base-Backbone interact. energy: -2.742 local terms energy: -701.548620 where: bonds (distance) C4'-P energy: -149.407 bonds (distance) P-C4' energy: -184.295 flat angles C4'-P-C4' energy: -151.274 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -107.370 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: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1417.805648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.805648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.805648 (E_RNA) where: Base-Base interactions energy: -771.378 where: short stacking energy: -462.910 Base-Backbone interact. energy: -1.047 local terms energy: -645.381340 where: bonds (distance) C4'-P energy: -164.822 bonds (distance) P-C4' energy: -165.926 flat angles C4'-P-C4' energy: -142.277 flat angles P-C4'-P energy: -104.520 tors. eta vs tors. theta energy: -67.836 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: 9 Temperature: 1.100000 Total energy: -1179.012053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.012053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.012053 (E_RNA) where: Base-Base interactions energy: -578.559 where: short stacking energy: -405.691 Base-Backbone interact. energy: 1.397 local terms energy: -601.850065 where: bonds (distance) C4'-P energy: -156.069 bonds (distance) P-C4' energy: -134.268 flat angles C4'-P-C4' energy: -144.236 flat angles P-C4'-P energy: -112.653 tors. eta vs tors. theta energy: -54.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1136.822344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.822344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.822344 (E_RNA) where: Base-Base interactions energy: -560.894 where: short stacking energy: -356.304 Base-Backbone interact. energy: -2.615 local terms energy: -573.313769 where: bonds (distance) C4'-P energy: -155.149 bonds (distance) P-C4' energy: -140.836 flat angles C4'-P-C4' energy: -135.109 flat angles P-C4'-P energy: -97.633 tors. eta vs tors. theta energy: -44.586 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: 7 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -986.702935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.702935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.702935 (E_RNA) where: Base-Base interactions energy: -483.685 where: short stacking energy: -327.418 Base-Backbone interact. energy: 3.016 local terms energy: -506.034087 where: bonds (distance) C4'-P energy: -120.274 bonds (distance) P-C4' energy: -152.651 flat angles C4'-P-C4' energy: -135.293 flat angles P-C4'-P energy: -79.206 tors. eta vs tors. theta energy: -18.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -991.100386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.100386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.100386 (E_RNA) where: Base-Base interactions energy: -469.005 where: short stacking energy: -283.565 Base-Backbone interact. energy: -0.047 local terms energy: -522.048511 where: bonds (distance) C4'-P energy: -148.062 bonds (distance) P-C4' energy: -140.650 flat angles C4'-P-C4' energy: -129.439 flat angles P-C4'-P energy: -83.636 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: 9, replica: 9 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -843.879378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.879378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.879378 (E_RNA) where: Base-Base interactions energy: -376.736 where: short stacking energy: -263.504 Base-Backbone interact. energy: -0.179 local terms energy: -466.964750 where: bonds (distance) C4'-P energy: -126.559 bonds (distance) P-C4' energy: -141.602 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -63.357 tors. eta vs tors. theta energy: -2.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -710.823321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.823321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.823321 (E_RNA) where: Base-Base interactions energy: -285.758 where: short stacking energy: -194.147 Base-Backbone interact. energy: -2.249 local terms energy: -422.816688 where: bonds (distance) C4'-P energy: -128.536 bonds (distance) P-C4' energy: -136.240 flat angles C4'-P-C4' energy: -119.987 flat angles P-C4'-P energy: -76.493 tors. eta vs tors. theta energy: 38.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1599.833777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.833777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.833777 (E_RNA) where: Base-Base interactions energy: -810.138 where: short stacking energy: -668.357 Base-Backbone interact. energy: -1.639 local terms energy: -788.056361 where: bonds (distance) C4'-P energy: -171.308 bonds (distance) P-C4' energy: -175.511 flat angles C4'-P-C4' energy: -173.864 flat angles P-C4'-P energy: -114.384 tors. eta vs tors. theta energy: -152.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1687.261423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.261423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.261423 (E_RNA) where: Base-Base interactions energy: -940.157 where: short stacking energy: -617.473 Base-Backbone interact. energy: -1.467 local terms energy: -745.637068 where: bonds (distance) C4'-P energy: -160.851 bonds (distance) P-C4' energy: -164.991 flat angles C4'-P-C4' energy: -165.082 flat angles P-C4'-P energy: -113.117 tors. eta vs tors. theta energy: -141.596 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1664.195413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.195413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.195413 (E_RNA) where: Base-Base interactions energy: -979.680 where: short stacking energy: -541.309 Base-Backbone interact. energy: -0.077 local terms energy: -684.438578 where: bonds (distance) C4'-P energy: -145.178 bonds (distance) P-C4' energy: -179.661 flat angles C4'-P-C4' energy: -159.532 flat angles P-C4'-P energy: -91.557 tors. eta vs tors. theta energy: -108.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1351.246734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.246734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.246734 (E_RNA) where: Base-Base interactions energy: -700.780 where: short stacking energy: -483.872 Base-Backbone interact. energy: 0.696 local terms energy: -651.162456 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -143.351 flat angles C4'-P-C4' energy: -169.319 flat angles P-C4'-P energy: -84.829 tors. eta vs tors. theta energy: -105.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1246.290069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.290069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.290069 (E_RNA) where: Base-Base interactions energy: -656.182 where: short stacking energy: -448.186 Base-Backbone interact. energy: -0.016 local terms energy: -590.092299 where: bonds (distance) C4'-P energy: -141.171 bonds (distance) P-C4' energy: -139.537 flat angles C4'-P-C4' energy: -136.951 flat angles P-C4'-P energy: -102.580 tors. eta vs tors. theta energy: -69.854 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: 6, replica: 2 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1033.348117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.348117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.348117 (E_RNA) where: Base-Base interactions energy: -491.671 where: short stacking energy: -341.728 Base-Backbone interact. energy: 1.458 local terms energy: -543.135159 where: bonds (distance) C4'-P energy: -152.086 bonds (distance) P-C4' energy: -140.190 flat angles C4'-P-C4' energy: -119.523 flat angles P-C4'-P energy: -87.569 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: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1056.381818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.381818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.381818 (E_RNA) where: Base-Base interactions energy: -526.022 where: short stacking energy: -315.316 Base-Backbone interact. energy: -2.815 local terms energy: -527.545002 where: bonds (distance) C4'-P energy: -148.994 bonds (distance) P-C4' energy: -160.607 flat angles C4'-P-C4' energy: -113.514 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -23.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -955.632339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.632339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.632339 (E_RNA) where: Base-Base interactions energy: -460.781 where: short stacking energy: -267.031 Base-Backbone interact. energy: -1.082 local terms energy: -493.768900 where: bonds (distance) C4'-P energy: -144.742 bonds (distance) P-C4' energy: -138.552 flat angles C4'-P-C4' energy: -129.334 flat angles P-C4'-P energy: -76.105 tors. eta vs tors. theta energy: -5.036 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: 9 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -829.057219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.057219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.057219 (E_RNA) where: Base-Base interactions energy: -370.600 where: short stacking energy: -278.394 Base-Backbone interact. energy: 10.738 local terms energy: -469.194714 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -124.892 flat angles C4'-P-C4' energy: -129.867 flat angles P-C4'-P energy: -63.043 tors. eta vs tors. theta energy: -14.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -721.132580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.132580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.132580 (E_RNA) where: Base-Base interactions energy: -293.371 where: short stacking energy: -212.836 Base-Backbone interact. energy: -1.111 local terms energy: -426.650652 where: bonds (distance) C4'-P energy: -132.616 bonds (distance) P-C4' energy: -128.611 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -79.948 tors. eta vs tors. theta energy: 18.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1597.116777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.116777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.116777 (E_RNA) where: Base-Base interactions energy: -817.335 where: short stacking energy: -616.391 Base-Backbone interact. energy: 0.632 local terms energy: -780.413574 where: bonds (distance) C4'-P energy: -164.800 bonds (distance) P-C4' energy: -177.449 flat angles C4'-P-C4' energy: -180.890 flat angles P-C4'-P energy: -107.667 tors. eta vs tors. theta energy: -149.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1725.863840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.863840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.863840 (E_RNA) where: Base-Base interactions energy: -985.400 where: short stacking energy: -637.359 Base-Backbone interact. energy: -1.829 local terms energy: -738.635633 where: bonds (distance) C4'-P energy: -153.111 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -175.565 flat angles P-C4'-P energy: -104.143 tors. eta vs tors. theta energy: -149.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1738.654536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.654536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.654536 (E_RNA) where: Base-Base interactions energy: -1042.540 where: short stacking energy: -575.064 Base-Backbone interact. energy: -0.419 local terms energy: -695.695871 where: bonds (distance) C4'-P energy: -146.433 bonds (distance) P-C4' energy: -157.472 flat angles C4'-P-C4' energy: -158.038 flat angles P-C4'-P energy: -97.872 tors. eta vs tors. theta energy: -135.881 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: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1319.364556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.364556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.364556 (E_RNA) where: Base-Base interactions energy: -668.993 where: short stacking energy: -476.402 Base-Backbone interact. energy: -0.720 local terms energy: -649.651547 where: bonds (distance) C4'-P energy: -149.352 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -159.820 flat angles P-C4'-P energy: -105.183 tors. eta vs tors. theta energy: -90.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1364.230428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.230428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.230428 (E_RNA) where: Base-Base interactions energy: -729.526 where: short stacking energy: -467.847 Base-Backbone interact. energy: -2.616 local terms energy: -632.088470 where: bonds (distance) C4'-P energy: -172.917 bonds (distance) P-C4' energy: -155.597 flat angles C4'-P-C4' energy: -143.591 flat angles P-C4'-P energy: -75.278 tors. eta vs tors. theta energy: -84.706 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: 2 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1090.565783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.565783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.565783 (E_RNA) where: Base-Base interactions energy: -528.985 where: short stacking energy: -338.214 Base-Backbone interact. energy: -3.470 local terms energy: -558.110871 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -148.987 flat angles C4'-P-C4' energy: -144.714 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -29.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1050.754554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.754554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.754554 (E_RNA) where: Base-Base interactions energy: -501.892 where: short stacking energy: -334.305 Base-Backbone interact. energy: -1.277 local terms energy: -547.586305 where: bonds (distance) C4'-P energy: -127.753 bonds (distance) P-C4' energy: -149.668 flat angles C4'-P-C4' energy: -146.729 flat angles P-C4'-P energy: -88.697 tors. eta vs tors. theta energy: -34.739 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: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -931.911015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.911015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.911015 (E_RNA) where: Base-Base interactions energy: -419.772 where: short stacking energy: -281.030 Base-Backbone interact. energy: -1.315 local terms energy: -510.824246 where: bonds (distance) C4'-P energy: -140.295 bonds (distance) P-C4' energy: -157.816 flat angles C4'-P-C4' energy: -111.415 flat angles P-C4'-P energy: -73.880 tors. eta vs tors. theta energy: -27.419 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: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -855.241062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.241062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.241062 (E_RNA) where: Base-Base interactions energy: -391.957 where: short stacking energy: -240.194 Base-Backbone interact. energy: 2.322 local terms energy: -465.606918 where: bonds (distance) C4'-P energy: -150.008 bonds (distance) P-C4' energy: -120.886 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -69.301 tors. eta vs tors. theta energy: -10.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -719.588291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.588291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.588291 (E_RNA) where: Base-Base interactions energy: -325.355 where: short stacking energy: -211.702 Base-Backbone interact. energy: 1.856 local terms energy: -396.089703 where: bonds (distance) C4'-P energy: -124.290 bonds (distance) P-C4' energy: -110.489 flat angles C4'-P-C4' energy: -115.828 flat angles P-C4'-P energy: -72.843 tors. eta vs tors. theta energy: 27.360 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: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1807.489846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.489846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.489846 (E_RNA) where: Base-Base interactions energy: -1085.800 where: short stacking energy: -637.670 Base-Backbone interact. energy: -1.466 local terms energy: -720.223766 where: bonds (distance) C4'-P energy: -150.219 bonds (distance) P-C4' energy: -146.657 flat angles C4'-P-C4' energy: -175.821 flat angles P-C4'-P energy: -96.807 tors. eta vs tors. theta energy: -150.719 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: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1565.261955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.261955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.261955 (E_RNA) where: Base-Base interactions energy: -809.703 where: short stacking energy: -606.601 Base-Backbone interact. energy: -2.693 local terms energy: -752.866067 where: bonds (distance) C4'-P energy: -157.275 bonds (distance) P-C4' energy: -168.705 flat angles C4'-P-C4' energy: -177.992 flat angles P-C4'-P energy: -100.163 tors. eta vs tors. theta energy: -148.731 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1806.369953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.369953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.369953 (E_RNA) where: Base-Base interactions energy: -1115.733 where: short stacking energy: -593.927 Base-Backbone interact. energy: -1.361 local terms energy: -689.276424 where: bonds (distance) C4'-P energy: -152.842 bonds (distance) P-C4' energy: -153.004 flat angles C4'-P-C4' energy: -158.877 flat angles P-C4'-P energy: -103.910 tors. eta vs tors. theta energy: -120.644 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: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1397.963631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.963631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.963631 (E_RNA) where: Base-Base interactions energy: -736.235 where: short stacking energy: -514.914 Base-Backbone interact. energy: -0.232 local terms energy: -661.496331 where: bonds (distance) C4'-P energy: -154.786 bonds (distance) P-C4' energy: -146.676 flat angles C4'-P-C4' energy: -159.219 flat angles P-C4'-P energy: -93.301 tors. eta vs tors. theta energy: -107.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1349.948559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.948559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.948559 (E_RNA) where: Base-Base interactions energy: -714.941 where: short stacking energy: -466.439 Base-Backbone interact. energy: -0.953 local terms energy: -634.054743 where: bonds (distance) C4'-P energy: -157.282 bonds (distance) P-C4' energy: -146.133 flat angles C4'-P-C4' energy: -150.567 flat angles P-C4'-P energy: -85.323 tors. eta vs tors. theta energy: -94.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1162.071191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.071191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.071191 (E_RNA) where: Base-Base interactions energy: -619.461 where: short stacking energy: -428.646 Base-Backbone interact. energy: -1.845 local terms energy: -540.765634 where: bonds (distance) C4'-P energy: -127.670 bonds (distance) P-C4' energy: -155.686 flat angles C4'-P-C4' energy: -129.926 flat angles P-C4'-P energy: -73.862 tors. eta vs tors. theta energy: -53.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1109.147509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.147509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.147509 (E_RNA) where: Base-Base interactions energy: -580.214 where: short stacking energy: -375.680 Base-Backbone interact. energy: 3.389 local terms energy: -532.322811 where: bonds (distance) C4'-P energy: -141.338 bonds (distance) P-C4' energy: -133.097 flat angles C4'-P-C4' energy: -127.501 flat angles P-C4'-P energy: -79.475 tors. eta vs tors. theta energy: -50.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1043.335883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.335883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.335883 (E_RNA) where: Base-Base interactions energy: -537.923 where: short stacking energy: -329.038 Base-Backbone interact. energy: -1.641 local terms energy: -503.771634 where: bonds (distance) C4'-P energy: -136.472 bonds (distance) P-C4' energy: -150.427 flat angles C4'-P-C4' energy: -130.769 flat angles P-C4'-P energy: -65.930 tors. eta vs tors. theta energy: -20.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1047.222335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.222335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.222335 (E_RNA) where: Base-Base interactions energy: -550.396 where: short stacking energy: -312.630 Base-Backbone interact. energy: -0.996 local terms energy: -495.830310 where: bonds (distance) C4'-P energy: -137.111 bonds (distance) P-C4' energy: -170.944 flat angles C4'-P-C4' energy: -130.528 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -13.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -646.312630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.312630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.312630 (E_RNA) where: Base-Base interactions energy: -195.854 where: short stacking energy: -167.671 Base-Backbone interact. energy: -3.294 local terms energy: -447.165051 where: bonds (distance) C4'-P energy: -129.365 bonds (distance) P-C4' energy: -150.303 flat angles C4'-P-C4' energy: -119.168 flat angles P-C4'-P energy: -58.330 tors. eta vs tors. theta energy: 10.001 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: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1889.536967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.536967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.536967 (E_RNA) where: Base-Base interactions energy: -1098.885 where: short stacking energy: -664.439 Base-Backbone interact. energy: -3.274 local terms energy: -787.378059 where: bonds (distance) C4'-P energy: -168.440 bonds (distance) P-C4' energy: -180.535 flat angles C4'-P-C4' energy: -172.554 flat angles P-C4'-P energy: -101.405 tors. eta vs tors. theta energy: -164.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2001.775230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.775230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.775230 (E_RNA) where: Base-Base interactions energy: -1263.954 where: short stacking energy: -677.209 Base-Backbone interact. energy: 1.401 local terms energy: -739.221600 where: bonds (distance) C4'-P energy: -150.107 bonds (distance) P-C4' energy: -164.281 flat angles C4'-P-C4' energy: -180.055 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: -144.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1406.621876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.621876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.621876 (E_RNA) where: Base-Base interactions energy: -723.203 where: short stacking energy: -542.272 Base-Backbone interact. energy: 0.693 local terms energy: -684.112102 where: bonds (distance) C4'-P energy: -152.380 bonds (distance) P-C4' energy: -152.742 flat angles C4'-P-C4' energy: -161.835 flat angles P-C4'-P energy: -92.999 tors. eta vs tors. theta energy: -124.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1377.479404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.479404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.479404 (E_RNA) where: Base-Base interactions energy: -720.499 where: short stacking energy: -491.148 Base-Backbone interact. energy: -3.166 local terms energy: -653.814833 where: bonds (distance) C4'-P energy: -144.868 bonds (distance) P-C4' energy: -161.228 flat angles C4'-P-C4' energy: -155.047 flat angles P-C4'-P energy: -87.880 tors. eta vs tors. theta energy: -104.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1312.386014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.386014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.386014 (E_RNA) where: Base-Base interactions energy: -707.101 where: short stacking energy: -446.567 Base-Backbone interact. energy: -0.415 local terms energy: -604.870009 where: bonds (distance) C4'-P energy: -150.492 bonds (distance) P-C4' energy: -157.886 flat angles C4'-P-C4' energy: -140.659 flat angles P-C4'-P energy: -88.479 tors. eta vs tors. theta energy: -67.355 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: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1168.990708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.990708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.990708 (E_RNA) where: Base-Base interactions energy: -599.654 where: short stacking energy: -417.988 Base-Backbone interact. energy: 2.617 local terms energy: -571.953823 where: bonds (distance) C4'-P energy: -116.844 bonds (distance) P-C4' energy: -143.329 flat angles C4'-P-C4' energy: -142.332 flat angles P-C4'-P energy: -107.599 tors. eta vs tors. theta energy: -61.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1065.588031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.588031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.588031 (E_RNA) where: Base-Base interactions energy: -550.986 where: short stacking energy: -329.310 Base-Backbone interact. energy: 2.260 local terms energy: -516.862065 where: bonds (distance) C4'-P energy: -142.979 bonds (distance) P-C4' energy: -131.538 flat angles C4'-P-C4' energy: -138.331 flat angles P-C4'-P energy: -83.012 tors. eta vs tors. theta energy: -21.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1101.478779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.478779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.478779 (E_RNA) where: Base-Base interactions energy: -618.228 where: short stacking energy: -348.691 Base-Backbone interact. energy: 0.935 local terms energy: -484.186063 where: bonds (distance) C4'-P energy: -113.844 bonds (distance) P-C4' energy: -130.649 flat angles C4'-P-C4' energy: -138.443 flat angles P-C4'-P energy: -67.279 tors. eta vs tors. theta energy: -33.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1075.926975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.926975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.926975 (E_RNA) where: Base-Base interactions energy: -585.139 where: short stacking energy: -335.768 Base-Backbone interact. energy: -1.720 local terms energy: -489.068414 where: bonds (distance) C4'-P energy: -122.681 bonds (distance) P-C4' energy: -140.742 flat angles C4'-P-C4' energy: -105.986 flat angles P-C4'-P energy: -89.707 tors. eta vs tors. theta energy: -29.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -644.311685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.311685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.311685 (E_RNA) where: Base-Base interactions energy: -243.048 where: short stacking energy: -207.033 Base-Backbone interact. energy: 3.338 local terms energy: -404.602248 where: bonds (distance) C4'-P energy: -130.622 bonds (distance) P-C4' energy: -139.725 flat angles C4'-P-C4' energy: -104.758 flat angles P-C4'-P energy: -60.715 tors. eta vs tors. theta energy: 31.218 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2105.379193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.379193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.379193 (E_RNA) where: Base-Base interactions energy: -1331.087 where: short stacking energy: -683.134 Base-Backbone interact. energy: -1.278 local terms energy: -773.013697 where: bonds (distance) C4'-P energy: -158.019 bonds (distance) P-C4' energy: -176.586 flat angles C4'-P-C4' energy: -173.613 flat angles P-C4'-P energy: -110.267 tors. eta vs tors. theta energy: -154.529 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: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1802.891044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.891044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.891044 (E_RNA) where: Base-Base interactions energy: -1066.600 where: short stacking energy: -685.582 Base-Backbone interact. energy: 0.752 local terms energy: -737.042357 where: bonds (distance) C4'-P energy: -155.941 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -173.977 flat angles P-C4'-P energy: -93.286 tors. eta vs tors. theta energy: -158.757 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: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1473.695013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.695013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.695013 (E_RNA) where: Base-Base interactions energy: -744.377 where: short stacking energy: -568.629 Base-Backbone interact. energy: -0.548 local terms energy: -728.769480 where: bonds (distance) C4'-P energy: -157.807 bonds (distance) P-C4' energy: -163.590 flat angles C4'-P-C4' energy: -175.166 flat angles P-C4'-P energy: -98.090 tors. eta vs tors. theta energy: -134.117 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: 14 Temperature: 1.050000 Total energy: -1396.791580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.791580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.791580 (E_RNA) where: Base-Base interactions energy: -735.735 where: short stacking energy: -483.479 Base-Backbone interact. energy: -0.749 local terms energy: -660.307795 where: bonds (distance) C4'-P energy: -154.251 bonds (distance) P-C4' energy: -150.950 flat angles C4'-P-C4' energy: -161.121 flat angles P-C4'-P energy: -95.304 tors. eta vs tors. theta energy: -98.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1286.597457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.597457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.597457 (E_RNA) where: Base-Base interactions energy: -677.422 where: short stacking energy: -446.629 Base-Backbone interact. energy: -1.511 local terms energy: -607.664004 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -152.582 flat angles C4'-P-C4' energy: -162.581 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -74.347 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: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1233.571350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.571350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.571350 (E_RNA) where: Base-Base interactions energy: -625.842 where: short stacking energy: -409.492 Base-Backbone interact. energy: 1.239 local terms energy: -608.968409 where: bonds (distance) C4'-P energy: -149.527 bonds (distance) P-C4' energy: -163.835 flat angles C4'-P-C4' energy: -142.570 flat angles P-C4'-P energy: -93.385 tors. eta vs tors. theta energy: -59.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1289.342639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.342639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.342639 (E_RNA) where: Base-Base interactions energy: -720.755 where: short stacking energy: -376.156 Base-Backbone interact. energy: -0.641 local terms energy: -567.946373 where: bonds (distance) C4'-P energy: -151.894 bonds (distance) P-C4' energy: -144.794 flat angles C4'-P-C4' energy: -128.469 flat angles P-C4'-P energy: -84.316 tors. eta vs tors. theta energy: -58.473 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1098.632728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.632728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.632728 (E_RNA) where: Base-Base interactions energy: -584.957 where: short stacking energy: -350.453 Base-Backbone interact. energy: -1.726 local terms energy: -511.949338 where: bonds (distance) C4'-P energy: -120.180 bonds (distance) P-C4' energy: -142.275 flat angles C4'-P-C4' energy: -121.794 flat angles P-C4'-P energy: -94.348 tors. eta vs tors. theta energy: -33.351 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: 14 Temperature: 1.300000 Total energy: -1044.473861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.473861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.473861 (E_RNA) where: Base-Base interactions energy: -525.186 where: short stacking energy: -316.898 Base-Backbone interact. energy: -0.568 local terms energy: -518.719153 where: bonds (distance) C4'-P energy: -135.944 bonds (distance) P-C4' energy: -165.093 flat angles C4'-P-C4' energy: -108.267 flat angles P-C4'-P energy: -87.607 tors. eta vs tors. theta energy: -21.809 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -671.233936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.233936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.233936 (E_RNA) where: Base-Base interactions energy: -277.125 where: short stacking energy: -183.641 Base-Backbone interact. energy: 1.023 local terms energy: -395.132062 where: bonds (distance) C4'-P energy: -137.009 bonds (distance) P-C4' energy: -127.919 flat angles C4'-P-C4' energy: -107.342 flat angles P-C4'-P energy: -47.678 tors. eta vs tors. theta energy: 24.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2153.750701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.750701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.750701 (E_RNA) where: Base-Base interactions energy: -1359.381 where: short stacking energy: -704.876 Base-Backbone interact. energy: -1.973 local terms energy: -792.396938 where: bonds (distance) C4'-P energy: -161.874 bonds (distance) P-C4' energy: -161.423 flat angles C4'-P-C4' energy: -176.096 flat angles P-C4'-P energy: -112.347 tors. eta vs tors. theta energy: -180.656 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: 15 Temperature: 0.950000 Total energy: -1791.167568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.167568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.167568 (E_RNA) where: Base-Base interactions energy: -1040.154 where: short stacking energy: -649.164 Base-Backbone interact. energy: -2.449 local terms energy: -748.565215 where: bonds (distance) C4'-P energy: -154.674 bonds (distance) P-C4' energy: -153.646 flat angles C4'-P-C4' energy: -165.457 flat angles P-C4'-P energy: -115.165 tors. eta vs tors. theta energy: -159.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1420.854066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.854066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.854066 (E_RNA) where: Base-Base interactions energy: -737.639 where: short stacking energy: -541.193 Base-Backbone interact. energy: 0.970 local terms energy: -684.184632 where: bonds (distance) C4'-P energy: -151.323 bonds (distance) P-C4' energy: -152.246 flat angles C4'-P-C4' energy: -161.784 flat angles P-C4'-P energy: -97.491 tors. eta vs tors. theta energy: -121.340 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: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1414.214781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.214781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.214781 (E_RNA) where: Base-Base interactions energy: -768.493 where: short stacking energy: -493.528 Base-Backbone interact. energy: 3.555 local terms energy: -649.276909 where: bonds (distance) C4'-P energy: -153.471 bonds (distance) P-C4' energy: -146.837 flat angles C4'-P-C4' energy: -145.158 flat angles P-C4'-P energy: -106.502 tors. eta vs tors. theta energy: -97.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1353.290034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.290034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.290034 (E_RNA) where: Base-Base interactions energy: -720.530 where: short stacking energy: -420.626 Base-Backbone interact. energy: -0.088 local terms energy: -632.672754 where: bonds (distance) C4'-P energy: -137.453 bonds (distance) P-C4' energy: -163.084 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -102.200 tors. eta vs tors. theta energy: -75.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1463.694567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.694567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.694567 (E_RNA) where: Base-Base interactions energy: -871.987 where: short stacking energy: -465.304 Base-Backbone interact. energy: -2.146 local terms energy: -589.561538 where: bonds (distance) C4'-P energy: -143.029 bonds (distance) P-C4' energy: -152.450 flat angles C4'-P-C4' energy: -160.669 flat angles P-C4'-P energy: -68.300 tors. eta vs tors. theta energy: -65.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1149.573986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.573986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.573986 (E_RNA) where: Base-Base interactions energy: -588.041 where: short stacking energy: -366.416 Base-Backbone interact. energy: 3.606 local terms energy: -565.139555 where: bonds (distance) C4'-P energy: -117.620 bonds (distance) P-C4' energy: -165.963 flat angles C4'-P-C4' energy: -130.837 flat angles P-C4'-P energy: -97.623 tors. eta vs tors. theta energy: -53.097 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1082.024041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.024041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.024041 (E_RNA) where: Base-Base interactions energy: -566.849 where: short stacking energy: -341.272 Base-Backbone interact. energy: 0.903 local terms energy: -516.078596 where: bonds (distance) C4'-P energy: -146.280 bonds (distance) P-C4' energy: -139.274 flat angles C4'-P-C4' energy: -125.195 flat angles P-C4'-P energy: -92.482 tors. eta vs tors. theta energy: -12.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -889.404588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.404588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.404588 (E_RNA) where: Base-Base interactions energy: -442.271 where: short stacking energy: -265.639 Base-Backbone interact. energy: -3.409 local terms energy: -443.724588 where: bonds (distance) C4'-P energy: -128.574 bonds (distance) P-C4' energy: -154.340 flat angles C4'-P-C4' energy: -91.085 flat angles P-C4'-P energy: -73.238 tors. eta vs tors. theta energy: 3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -677.891479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.891479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.891479 (E_RNA) where: Base-Base interactions energy: -256.841 where: short stacking energy: -187.215 Base-Backbone interact. energy: 2.037 local terms energy: -423.086629 where: bonds (distance) C4'-P energy: -133.581 bonds (distance) P-C4' energy: -142.471 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -66.696 tors. eta vs tors. theta energy: 37.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2231.431750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.431750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.431750 (E_RNA) where: Base-Base interactions energy: -1388.035 where: short stacking energy: -750.425 Base-Backbone interact. energy: -1.892 local terms energy: -841.504501 where: bonds (distance) C4'-P energy: -158.578 bonds (distance) P-C4' energy: -198.731 flat angles C4'-P-C4' energy: -172.728 flat angles P-C4'-P energy: -115.486 tors. eta vs tors. theta energy: -195.981 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: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1779.495937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.495937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.495937 (E_RNA) where: Base-Base interactions energy: -1023.531 where: short stacking energy: -623.617 Base-Backbone interact. energy: -1.445 local terms energy: -754.519572 where: bonds (distance) C4'-P energy: -149.183 bonds (distance) P-C4' energy: -175.009 flat angles C4'-P-C4' energy: -173.714 flat angles P-C4'-P energy: -111.066 tors. eta vs tors. theta energy: -145.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1483.396605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.396605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.396605 (E_RNA) where: Base-Base interactions energy: -807.271 where: short stacking energy: -560.252 Base-Backbone interact. energy: -0.437 local terms energy: -675.688545 where: bonds (distance) C4'-P energy: -147.575 bonds (distance) P-C4' energy: -161.764 flat angles C4'-P-C4' energy: -163.913 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -108.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1363.550145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.550145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.550145 (E_RNA) where: Base-Base interactions energy: -697.700 where: short stacking energy: -509.982 Base-Backbone interact. energy: -1.232 local terms energy: -664.618390 where: bonds (distance) C4'-P energy: -147.431 bonds (distance) P-C4' energy: -149.109 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -103.879 tors. eta vs tors. theta energy: -106.121 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: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1655.621648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.621648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.621648 (E_RNA) where: Base-Base interactions energy: -1001.764 where: short stacking energy: -551.507 Base-Backbone interact. energy: 3.170 local terms energy: -657.028212 where: bonds (distance) C4'-P energy: -155.574 bonds (distance) P-C4' energy: -148.907 flat angles C4'-P-C4' energy: -146.072 flat angles P-C4'-P energy: -98.843 tors. eta vs tors. theta energy: -107.632 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: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1316.327693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.327693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.327693 (E_RNA) where: Base-Base interactions energy: -680.427 where: short stacking energy: -381.856 Base-Backbone interact. energy: -0.516 local terms energy: -635.384638 where: bonds (distance) C4'-P energy: -148.506 bonds (distance) P-C4' energy: -172.965 flat angles C4'-P-C4' energy: -147.309 flat angles P-C4'-P energy: -98.514 tors. eta vs tors. theta energy: -68.090 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: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1191.626980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.626980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.626980 (E_RNA) where: Base-Base interactions energy: -637.112 where: short stacking energy: -363.725 Base-Backbone interact. energy: -3.297 local terms energy: -551.218424 where: bonds (distance) C4'-P energy: -131.478 bonds (distance) P-C4' energy: -160.551 flat angles C4'-P-C4' energy: -122.473 flat angles P-C4'-P energy: -93.344 tors. eta vs tors. theta energy: -43.371 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: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1064.734290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.734290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.734290 (E_RNA) where: Base-Base interactions energy: -559.345 where: short stacking energy: -318.577 Base-Backbone interact. energy: -4.416 local terms energy: -500.974058 where: bonds (distance) C4'-P energy: -150.348 bonds (distance) P-C4' energy: -127.647 flat angles C4'-P-C4' energy: -127.919 flat angles P-C4'-P energy: -62.888 tors. eta vs tors. theta energy: -32.172 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: 16 Temperature: 1.300000 Total energy: -998.693778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.693778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.693778 (E_RNA) where: Base-Base interactions energy: -535.432 where: short stacking energy: -292.320 Base-Backbone interact. energy: -0.218 local terms energy: -463.043591 where: bonds (distance) C4'-P energy: -144.980 bonds (distance) P-C4' energy: -128.684 flat angles C4'-P-C4' energy: -107.090 flat angles P-C4'-P energy: -77.650 tors. eta vs tors. theta energy: -4.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -691.867947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.867947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.867947 (E_RNA) where: Base-Base interactions energy: -283.700 where: short stacking energy: -193.958 Base-Backbone interact. energy: -1.373 local terms energy: -406.795021 where: bonds (distance) C4'-P energy: -116.316 bonds (distance) P-C4' energy: -146.196 flat angles C4'-P-C4' energy: -116.894 flat angles P-C4'-P energy: -41.926 tors. eta vs tors. theta energy: 14.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2246.235663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.235663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.235663 (E_RNA) where: Base-Base interactions energy: -1394.836 where: short stacking energy: -736.008 Base-Backbone interact. energy: -1.808 local terms energy: -849.592225 where: bonds (distance) C4'-P energy: -168.502 bonds (distance) P-C4' energy: -175.054 flat angles C4'-P-C4' energy: -183.057 flat angles P-C4'-P energy: -137.824 tors. eta vs tors. theta energy: -185.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1811.157929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.157929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.157929 (E_RNA) where: Base-Base interactions energy: -1035.616 where: short stacking energy: -622.591 Base-Backbone interact. energy: -0.308 local terms energy: -775.233724 where: bonds (distance) C4'-P energy: -170.888 bonds (distance) P-C4' energy: -170.425 flat angles C4'-P-C4' energy: -177.968 flat angles P-C4'-P energy: -113.609 tors. eta vs tors. theta energy: -142.344 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: 3, replica: 4 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1578.588370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.588370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.588370 (E_RNA) where: Base-Base interactions energy: -882.343 where: short stacking energy: -538.417 Base-Backbone interact. energy: 0.259 local terms energy: -696.504457 where: bonds (distance) C4'-P energy: -170.704 bonds (distance) P-C4' energy: -142.586 flat angles C4'-P-C4' energy: -158.164 flat angles P-C4'-P energy: -115.561 tors. eta vs tors. theta energy: -109.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1745.145319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.145319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.145319 (E_RNA) where: Base-Base interactions energy: -1103.460 where: short stacking energy: -554.423 Base-Backbone interact. energy: -0.658 local terms energy: -641.027142 where: bonds (distance) C4'-P energy: -134.062 bonds (distance) P-C4' energy: -156.757 flat angles C4'-P-C4' energy: -161.991 flat angles P-C4'-P energy: -89.239 tors. eta vs tors. theta energy: -98.978 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: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1290.156386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.156386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.156386 (E_RNA) where: Base-Base interactions energy: -660.346 where: short stacking energy: -462.413 Base-Backbone interact. energy: -1.371 local terms energy: -628.438757 where: bonds (distance) C4'-P energy: -142.024 bonds (distance) P-C4' energy: -156.204 flat angles C4'-P-C4' energy: -136.496 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -95.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1382.458035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.458035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.458035 (E_RNA) where: Base-Base interactions energy: -781.895 where: short stacking energy: -427.338 Base-Backbone interact. energy: -1.267 local terms energy: -599.295344 where: bonds (distance) C4'-P energy: -148.792 bonds (distance) P-C4' energy: -150.383 flat angles C4'-P-C4' energy: -144.989 flat angles P-C4'-P energy: -83.632 tors. eta vs tors. theta energy: -71.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1179.027629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.027629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.027629 (E_RNA) where: Base-Base interactions energy: -659.669 where: short stacking energy: -370.462 Base-Backbone interact. energy: -0.640 local terms energy: -518.718510 where: bonds (distance) C4'-P energy: -113.455 bonds (distance) P-C4' energy: -140.914 flat angles C4'-P-C4' energy: -139.783 flat angles P-C4'-P energy: -72.941 tors. eta vs tors. theta energy: -51.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1026.856097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.856097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.856097 (E_RNA) where: Base-Base interactions energy: -501.350 where: short stacking energy: -340.568 Base-Backbone interact. energy: 1.299 local terms energy: -526.804828 where: bonds (distance) C4'-P energy: -129.008 bonds (distance) P-C4' energy: -152.855 flat angles C4'-P-C4' energy: -128.562 flat angles P-C4'-P energy: -66.983 tors. eta vs tors. theta energy: -49.397 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: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1010.165279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.165279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.165279 (E_RNA) where: Base-Base interactions energy: -498.955 where: short stacking energy: -308.261 Base-Backbone interact. energy: -0.587 local terms energy: -510.622555 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -125.414 flat angles C4'-P-C4' energy: -134.938 flat angles P-C4'-P energy: -74.797 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: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -710.301472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.301472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.301472 (E_RNA) where: Base-Base interactions energy: -308.534 where: short stacking energy: -210.140 Base-Backbone interact. energy: 3.554 local terms energy: -405.321247 where: bonds (distance) C4'-P energy: -122.811 bonds (distance) P-C4' energy: -142.184 flat angles C4'-P-C4' energy: -112.864 flat angles P-C4'-P energy: -48.268 tors. eta vs tors. theta energy: 20.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2298.518652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.518652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.518652 (E_RNA) where: Base-Base interactions energy: -1458.395 where: short stacking energy: -783.986 Base-Backbone interact. energy: 0.664 local terms energy: -840.786865 where: bonds (distance) C4'-P energy: -164.927 bonds (distance) P-C4' energy: -168.213 flat angles C4'-P-C4' energy: -179.769 flat angles P-C4'-P energy: -121.352 tors. eta vs tors. theta energy: -206.525 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: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1812.838955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.838955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.838955 (E_RNA) where: Base-Base interactions energy: -1097.455 where: short stacking energy: -608.275 Base-Backbone interact. energy: -0.231 local terms energy: -715.152722 where: bonds (distance) C4'-P energy: -159.790 bonds (distance) P-C4' energy: -155.913 flat angles C4'-P-C4' energy: -166.615 flat angles P-C4'-P energy: -108.324 tors. eta vs tors. theta energy: -124.511 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: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1939.589731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.589731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.589731 (E_RNA) where: Base-Base interactions energy: -1192.025 where: short stacking energy: -589.926 Base-Backbone interact. energy: -5.383 local terms energy: -742.182154 where: bonds (distance) C4'-P energy: -164.347 bonds (distance) P-C4' energy: -150.117 flat angles C4'-P-C4' energy: -170.059 flat angles P-C4'-P energy: -130.937 tors. eta vs tors. theta energy: -126.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1585.094877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.094877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.094877 (E_RNA) where: Base-Base interactions energy: -905.428 where: short stacking energy: -522.191 Base-Backbone interact. energy: -0.663 local terms energy: -679.003489 where: bonds (distance) C4'-P energy: -158.386 bonds (distance) P-C4' energy: -153.051 flat angles C4'-P-C4' energy: -152.403 flat angles P-C4'-P energy: -95.367 tors. eta vs tors. theta energy: -119.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1474.913432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.913432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.913432 (E_RNA) where: Base-Base interactions energy: -856.852 where: short stacking energy: -447.886 Base-Backbone interact. energy: -0.259 local terms energy: -617.802708 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -153.322 flat angles C4'-P-C4' energy: -154.963 flat angles P-C4'-P energy: -88.373 tors. eta vs tors. theta energy: -78.835 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: 18 Temperature: 1.150000 Total energy: -1144.866947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.866947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.866947 (E_RNA) where: Base-Base interactions energy: -598.529 where: short stacking energy: -416.433 Base-Backbone interact. energy: 0.406 local terms energy: -546.744239 where: bonds (distance) C4'-P energy: -152.583 bonds (distance) P-C4' energy: -137.518 flat angles C4'-P-C4' energy: -108.241 flat angles P-C4'-P energy: -77.290 tors. eta vs tors. theta energy: -71.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1198.680110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.680110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.680110 (E_RNA) where: Base-Base interactions energy: -663.164 where: short stacking energy: -368.630 Base-Backbone interact. energy: 0.430 local terms energy: -535.945766 where: bonds (distance) C4'-P energy: -133.235 bonds (distance) P-C4' energy: -161.001 flat angles C4'-P-C4' energy: -131.804 flat angles P-C4'-P energy: -80.810 tors. eta vs tors. theta energy: -29.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -986.382240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.382240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.382240 (E_RNA) where: Base-Base interactions energy: -508.802 where: short stacking energy: -313.413 Base-Backbone interact. energy: -0.037 local terms energy: -477.543394 where: bonds (distance) C4'-P energy: -129.094 bonds (distance) P-C4' energy: -133.798 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -89.984 tors. eta vs tors. theta energy: -22.197 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: 18 Temperature: 1.300000 Total energy: -973.819867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.819867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.819867 (E_RNA) where: Base-Base interactions energy: -485.166 where: short stacking energy: -289.203 Base-Backbone interact. energy: 0.659 local terms energy: -489.313497 where: bonds (distance) C4'-P energy: -141.041 bonds (distance) P-C4' energy: -144.484 flat angles C4'-P-C4' energy: -113.274 flat angles P-C4'-P energy: -68.877 tors. eta vs tors. theta energy: -21.637 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: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -652.476145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.476145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.476145 (E_RNA) where: Base-Base interactions energy: -275.987 where: short stacking energy: -213.529 Base-Backbone interact. energy: -0.494 local terms energy: -375.994521 where: bonds (distance) C4'-P energy: -144.469 bonds (distance) P-C4' energy: -119.490 flat angles C4'-P-C4' energy: -90.315 flat angles P-C4'-P energy: -55.745 tors. eta vs tors. theta energy: 34.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2318.710286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.710286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.710286 (E_RNA) where: Base-Base interactions energy: -1442.040 where: short stacking energy: -772.779 Base-Backbone interact. energy: 0.817 local terms energy: -877.487182 where: bonds (distance) C4'-P energy: -174.233 bonds (distance) P-C4' energy: -173.528 flat angles C4'-P-C4' energy: -179.495 flat angles P-C4'-P energy: -133.567 tors. eta vs tors. theta energy: -216.665 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: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2074.590926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.590926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.590926 (E_RNA) where: Base-Base interactions energy: -1332.510 where: short stacking energy: -649.082 Base-Backbone interact. energy: 0.836 local terms energy: -742.917446 where: bonds (distance) C4'-P energy: -175.709 bonds (distance) P-C4' energy: -166.776 flat angles C4'-P-C4' energy: -166.494 flat angles P-C4'-P energy: -101.920 tors. eta vs tors. theta energy: -132.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1762.762522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.762522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.762522 (E_RNA) where: Base-Base interactions energy: -1043.727 where: short stacking energy: -582.306 Base-Backbone interact. energy: -0.982 local terms energy: -718.053987 where: bonds (distance) C4'-P energy: -166.571 bonds (distance) P-C4' energy: -149.415 flat angles C4'-P-C4' energy: -171.837 flat angles P-C4'-P energy: -107.037 tors. eta vs tors. theta energy: -123.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1656.804809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.804809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.804809 (E_RNA) where: Base-Base interactions energy: -992.221 where: short stacking energy: -560.921 Base-Backbone interact. energy: -1.851 local terms energy: -662.732755 where: bonds (distance) C4'-P energy: -140.789 bonds (distance) P-C4' energy: -161.677 flat angles C4'-P-C4' energy: -149.770 flat angles P-C4'-P energy: -99.684 tors. eta vs tors. theta energy: -110.813 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: 19 Temperature: 1.100000 Total energy: -1514.131029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.131029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.131029 (E_RNA) where: Base-Base interactions energy: -865.100 where: short stacking energy: -502.532 Base-Backbone interact. energy: -3.628 local terms energy: -645.402446 where: bonds (distance) C4'-P energy: -136.144 bonds (distance) P-C4' energy: -175.769 flat angles C4'-P-C4' energy: -141.572 flat angles P-C4'-P energy: -75.956 tors. eta vs tors. theta energy: -115.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1337.382142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.382142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.382142 (E_RNA) where: Base-Base interactions energy: -755.527 where: short stacking energy: -379.564 Base-Backbone interact. energy: 8.007 local terms energy: -589.862249 where: bonds (distance) C4'-P energy: -148.185 bonds (distance) P-C4' energy: -153.340 flat angles C4'-P-C4' energy: -152.365 flat angles P-C4'-P energy: -86.454 tors. eta vs tors. theta energy: -49.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1030.051909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.051909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.051909 (E_RNA) where: Base-Base interactions energy: -502.226 where: short stacking energy: -319.030 Base-Backbone interact. energy: 0.536 local terms energy: -528.362286 where: bonds (distance) C4'-P energy: -130.553 bonds (distance) P-C4' energy: -153.386 flat angles C4'-P-C4' energy: -132.313 flat angles P-C4'-P energy: -79.582 tors. eta vs tors. theta energy: -32.528 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: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1005.191128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.191128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.191128 (E_RNA) where: Base-Base interactions energy: -499.400 where: short stacking energy: -308.374 Base-Backbone interact. energy: 1.270 local terms energy: -507.061622 where: bonds (distance) C4'-P energy: -132.141 bonds (distance) P-C4' energy: -145.947 flat angles C4'-P-C4' energy: -128.098 flat angles P-C4'-P energy: -71.180 tors. eta vs tors. theta energy: -29.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -905.017733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.017733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.017733 (E_RNA) where: Base-Base interactions energy: -449.539 where: short stacking energy: -278.731 Base-Backbone interact. energy: -0.694 local terms energy: -454.785526 where: bonds (distance) C4'-P energy: -120.198 bonds (distance) P-C4' energy: -127.700 flat angles C4'-P-C4' energy: -127.941 flat angles P-C4'-P energy: -59.937 tors. eta vs tors. theta energy: -19.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -622.671940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.671940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.671940 (E_RNA) where: Base-Base interactions energy: -233.166 where: short stacking energy: -194.911 Base-Backbone interact. energy: 4.236 local terms energy: -393.741710 where: bonds (distance) C4'-P energy: -111.123 bonds (distance) P-C4' energy: -152.955 flat angles C4'-P-C4' energy: -107.067 flat angles P-C4'-P energy: -57.487 tors. eta vs tors. theta energy: 34.889 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: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2263.810011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.810011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.810011 (E_RNA) where: Base-Base interactions energy: -1430.660 where: short stacking energy: -728.123 Base-Backbone interact. energy: -0.601 local terms energy: -832.548663 where: bonds (distance) C4'-P energy: -158.639 bonds (distance) P-C4' energy: -172.218 flat angles C4'-P-C4' energy: -173.791 flat angles P-C4'-P energy: -121.899 tors. eta vs tors. theta energy: -206.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2144.462744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.462744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.462744 (E_RNA) where: Base-Base interactions energy: -1374.593 where: short stacking energy: -672.365 Base-Backbone interact. energy: -1.752 local terms energy: -768.117761 where: bonds (distance) C4'-P energy: -157.237 bonds (distance) P-C4' energy: -167.780 flat angles C4'-P-C4' energy: -176.052 flat angles P-C4'-P energy: -119.251 tors. eta vs tors. theta energy: -147.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1787.273022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.273022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.273022 (E_RNA) where: Base-Base interactions energy: -1115.757 where: short stacking energy: -637.526 Base-Backbone interact. energy: -1.611 local terms energy: -669.905168 where: bonds (distance) C4'-P energy: -144.730 bonds (distance) P-C4' energy: -155.418 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -90.011 tors. eta vs tors. theta energy: -136.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1643.725621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.725621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.725621 (E_RNA) where: Base-Base interactions energy: -993.542 where: short stacking energy: -537.837 Base-Backbone interact. energy: -0.846 local terms energy: -649.337134 where: bonds (distance) C4'-P energy: -130.646 bonds (distance) P-C4' energy: -157.886 flat angles C4'-P-C4' energy: -138.800 flat angles P-C4'-P energy: -104.306 tors. eta vs tors. theta energy: -117.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1457.054452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.054452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.054452 (E_RNA) where: Base-Base interactions energy: -806.934 where: short stacking energy: -488.123 Base-Backbone interact. energy: -1.916 local terms energy: -648.204833 where: bonds (distance) C4'-P energy: -132.670 bonds (distance) P-C4' energy: -154.987 flat angles C4'-P-C4' energy: -156.480 flat angles P-C4'-P energy: -102.603 tors. eta vs tors. theta energy: -101.465 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: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1395.219109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.219109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.219109 (E_RNA) where: Base-Base interactions energy: -800.680 where: short stacking energy: -402.858 Base-Backbone interact. energy: -0.450 local terms energy: -594.088841 where: bonds (distance) C4'-P energy: -146.545 bonds (distance) P-C4' energy: -153.168 flat angles C4'-P-C4' energy: -149.680 flat angles P-C4'-P energy: -80.351 tors. eta vs tors. theta energy: -64.345 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: 1 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1062.260289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.260289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.260289 (E_RNA) where: Base-Base interactions energy: -531.820 where: short stacking energy: -378.144 Base-Backbone interact. energy: -0.219 local terms energy: -530.221127 where: bonds (distance) C4'-P energy: -127.659 bonds (distance) P-C4' energy: -145.518 flat angles C4'-P-C4' energy: -138.180 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -43.110 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: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1047.097059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.097059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.097059 (E_RNA) where: Base-Base interactions energy: -551.752 where: short stacking energy: -304.441 Base-Backbone interact. energy: -0.972 local terms energy: -494.372830 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -148.098 flat angles C4'-P-C4' energy: -128.407 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: -7.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -911.638411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.638411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.638411 (E_RNA) where: Base-Base interactions energy: -427.590 where: short stacking energy: -253.702 Base-Backbone interact. energy: 1.182 local terms energy: -485.230388 where: bonds (distance) C4'-P energy: -137.188 bonds (distance) P-C4' energy: -141.125 flat angles C4'-P-C4' energy: -122.498 flat angles P-C4'-P energy: -93.562 tors. eta vs tors. theta energy: 9.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -614.432846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.432846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.432846 (E_RNA) where: Base-Base interactions energy: -217.247 where: short stacking energy: -172.887 Base-Backbone interact. energy: 0.795 local terms energy: -397.980016 where: bonds (distance) C4'-P energy: -131.050 bonds (distance) P-C4' energy: -150.221 flat angles C4'-P-C4' energy: -101.366 flat angles P-C4'-P energy: -68.846 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: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2279.887472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.887472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.887472 (E_RNA) where: Base-Base interactions energy: -1452.361 where: short stacking energy: -726.202 Base-Backbone interact. energy: 2.823 local terms energy: -830.349200 where: bonds (distance) C4'-P energy: -153.044 bonds (distance) P-C4' energy: -166.718 flat angles C4'-P-C4' energy: -196.275 flat angles P-C4'-P energy: -124.337 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: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2205.840298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.840298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.840298 (E_RNA) where: Base-Base interactions energy: -1421.560 where: short stacking energy: -665.388 Base-Backbone interact. energy: -1.848 local terms energy: -782.432184 where: bonds (distance) C4'-P energy: -152.620 bonds (distance) P-C4' energy: -183.807 flat angles C4'-P-C4' energy: -168.323 flat angles P-C4'-P energy: -111.244 tors. eta vs tors. theta energy: -166.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1891.887639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.887639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.887639 (E_RNA) where: Base-Base interactions energy: -1155.062 where: short stacking energy: -653.729 Base-Backbone interact. energy: -2.504 local terms energy: -734.321868 where: bonds (distance) C4'-P energy: -165.464 bonds (distance) P-C4' energy: -156.727 flat angles C4'-P-C4' energy: -160.981 flat angles P-C4'-P energy: -95.715 tors. eta vs tors. theta energy: -155.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1682.343297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.343297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.343297 (E_RNA) where: Base-Base interactions energy: -973.599 where: short stacking energy: -553.054 Base-Backbone interact. energy: -0.622 local terms energy: -708.121422 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -167.327 flat angles C4'-P-C4' energy: -153.469 flat angles P-C4'-P energy: -113.926 tors. eta vs tors. theta energy: -117.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1427.464990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.464990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.464990 (E_RNA) where: Base-Base interactions energy: -775.691 where: short stacking energy: -451.295 Base-Backbone interact. energy: -0.566 local terms energy: -651.208527 where: bonds (distance) C4'-P energy: -138.426 bonds (distance) P-C4' energy: -156.165 flat angles C4'-P-C4' energy: -147.481 flat angles P-C4'-P energy: -107.934 tors. eta vs tors. theta energy: -101.202 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1446.185850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.185850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.185850 (E_RNA) where: Base-Base interactions energy: -844.301 where: short stacking energy: -456.698 Base-Backbone interact. energy: -1.962 local terms energy: -599.922789 where: bonds (distance) C4'-P energy: -156.126 bonds (distance) P-C4' energy: -135.767 flat angles C4'-P-C4' energy: -139.652 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -78.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1100.547820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.547820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.547820 (E_RNA) where: Base-Base interactions energy: -546.488 where: short stacking energy: -342.133 Base-Backbone interact. energy: -1.868 local terms energy: -552.191588 where: bonds (distance) C4'-P energy: -141.650 bonds (distance) P-C4' energy: -164.833 flat angles C4'-P-C4' energy: -126.704 flat angles P-C4'-P energy: -84.266 tors. eta vs tors. theta energy: -34.739 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: 21 Temperature: 1.250000 Total energy: -1149.093831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.093831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.093831 (E_RNA) where: Base-Base interactions energy: -591.504 where: short stacking energy: -319.122 Base-Backbone interact. energy: 0.730 local terms energy: -558.319878 where: bonds (distance) C4'-P energy: -157.912 bonds (distance) P-C4' energy: -135.084 flat angles C4'-P-C4' energy: -130.599 flat angles P-C4'-P energy: -97.997 tors. eta vs tors. theta energy: -36.728 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: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -980.479916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.479916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.479916 (E_RNA) where: Base-Base interactions energy: -454.746 where: short stacking energy: -287.244 Base-Backbone interact. energy: -1.316 local terms energy: -524.417708 where: bonds (distance) C4'-P energy: -149.234 bonds (distance) P-C4' energy: -166.313 flat angles C4'-P-C4' energy: -128.948 flat angles P-C4'-P energy: -70.277 tors. eta vs tors. theta energy: -9.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -689.740726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.740726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.740726 (E_RNA) where: Base-Base interactions energy: -256.399 where: short stacking energy: -181.101 Base-Backbone interact. energy: 1.683 local terms energy: -435.024672 where: bonds (distance) C4'-P energy: -140.508 bonds (distance) P-C4' energy: -126.246 flat angles C4'-P-C4' energy: -117.840 flat angles P-C4'-P energy: -81.764 tors. eta vs tors. theta energy: 31.333 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: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2286.456361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.456361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.456361 (E_RNA) where: Base-Base interactions energy: -1479.124 where: short stacking energy: -759.002 Base-Backbone interact. energy: -2.511 local terms energy: -804.821545 where: bonds (distance) C4'-P energy: -143.108 bonds (distance) P-C4' energy: -167.380 flat angles C4'-P-C4' energy: -185.157 flat angles P-C4'-P energy: -122.151 tors. eta vs tors. theta energy: -187.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2212.797246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.797246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.797246 (E_RNA) where: Base-Base interactions energy: -1434.435 where: short stacking energy: -678.307 Base-Backbone interact. energy: -4.413 local terms energy: -773.949032 where: bonds (distance) C4'-P energy: -150.477 bonds (distance) P-C4' energy: -158.762 flat angles C4'-P-C4' energy: -178.111 flat angles P-C4'-P energy: -122.197 tors. eta vs tors. theta energy: -164.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1864.702434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.702434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.702434 (E_RNA) where: Base-Base interactions energy: -1139.219 where: short stacking energy: -588.686 Base-Backbone interact. energy: -1.504 local terms energy: -723.978821 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -162.097 flat angles C4'-P-C4' energy: -166.131 flat angles P-C4'-P energy: -133.257 tors. eta vs tors. theta energy: -124.519 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: 4, replica: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1708.869433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.869433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.869433 (E_RNA) where: Base-Base interactions energy: -1084.581 where: short stacking energy: -549.118 Base-Backbone interact. energy: -4.776 local terms energy: -619.513183 where: bonds (distance) C4'-P energy: -137.689 bonds (distance) P-C4' energy: -137.562 flat angles C4'-P-C4' energy: -144.509 flat angles P-C4'-P energy: -107.654 tors. eta vs tors. theta energy: -92.099 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: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1544.113359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.113359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.113359 (E_RNA) where: Base-Base interactions energy: -916.635 where: short stacking energy: -501.435 Base-Backbone interact. energy: 6.469 local terms energy: -633.947565 where: bonds (distance) C4'-P energy: -136.308 bonds (distance) P-C4' energy: -157.337 flat angles C4'-P-C4' energy: -159.039 flat angles P-C4'-P energy: -93.991 tors. eta vs tors. theta energy: -87.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1397.628917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.628917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.628917 (E_RNA) where: Base-Base interactions energy: -818.073 where: short stacking energy: -445.242 Base-Backbone interact. energy: -2.271 local terms energy: -577.284882 where: bonds (distance) C4'-P energy: -126.139 bonds (distance) P-C4' energy: -151.634 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -61.886 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: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1055.277656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.277656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.277656 (E_RNA) where: Base-Base interactions energy: -546.031 where: short stacking energy: -339.223 Base-Backbone interact. energy: -2.493 local terms energy: -506.753705 where: bonds (distance) C4'-P energy: -141.209 bonds (distance) P-C4' energy: -128.735 flat angles C4'-P-C4' energy: -117.259 flat angles P-C4'-P energy: -71.032 tors. eta vs tors. theta energy: -48.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1239.824030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.824030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.824030 (E_RNA) where: Base-Base interactions energy: -709.423 where: short stacking energy: -345.087 Base-Backbone interact. energy: -1.440 local terms energy: -528.961510 where: bonds (distance) C4'-P energy: -125.416 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -131.520 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -42.736 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: 2 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -977.189787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.189787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.189787 (E_RNA) where: Base-Base interactions energy: -494.397 where: short stacking energy: -315.082 Base-Backbone interact. energy: 2.589 local terms energy: -485.381724 where: bonds (distance) C4'-P energy: -125.694 bonds (distance) P-C4' energy: -140.464 flat angles C4'-P-C4' energy: -133.244 flat angles P-C4'-P energy: -71.816 tors. eta vs tors. theta energy: -14.164 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: 22 Temperature: 1.350000 Total energy: -727.354856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.354856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.354856 (E_RNA) where: Base-Base interactions energy: -286.711 where: short stacking energy: -198.114 Base-Backbone interact. energy: -1.990 local terms energy: -438.653680 where: bonds (distance) C4'-P energy: -142.654 bonds (distance) P-C4' energy: -153.354 flat angles C4'-P-C4' energy: -106.932 flat angles P-C4'-P energy: -53.020 tors. eta vs tors. theta energy: 17.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2371.913967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.913967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.913967 (E_RNA) where: Base-Base interactions energy: -1512.615 where: short stacking energy: -760.117 Base-Backbone interact. energy: -0.801 local terms energy: -858.497838 where: bonds (distance) C4'-P energy: -170.529 bonds (distance) P-C4' energy: -180.811 flat angles C4'-P-C4' energy: -191.255 flat angles P-C4'-P energy: -113.136 tors. eta vs tors. theta energy: -202.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2287.735066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.735066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.735066 (E_RNA) where: Base-Base interactions energy: -1510.505 where: short stacking energy: -699.276 Base-Backbone interact. energy: -0.411 local terms energy: -776.819010 where: bonds (distance) C4'-P energy: -144.253 bonds (distance) P-C4' energy: -166.021 flat angles C4'-P-C4' energy: -178.458 flat angles P-C4'-P energy: -113.623 tors. eta vs tors. theta energy: -174.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1976.097944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.097944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.097944 (E_RNA) where: Base-Base interactions energy: -1252.481 where: short stacking energy: -690.107 Base-Backbone interact. energy: -1.446 local terms energy: -722.170824 where: bonds (distance) C4'-P energy: -144.945 bonds (distance) P-C4' energy: -149.266 flat angles C4'-P-C4' energy: -160.670 flat angles P-C4'-P energy: -90.596 tors. eta vs tors. theta energy: -176.694 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: 4, replica: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1818.861791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.861791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.861791 (E_RNA) where: Base-Base interactions energy: -1082.374 where: short stacking energy: -587.864 Base-Backbone interact. energy: -2.952 local terms energy: -733.535798 where: bonds (distance) C4'-P energy: -150.804 bonds (distance) P-C4' energy: -146.874 flat angles C4'-P-C4' energy: -175.327 flat angles P-C4'-P energy: -109.303 tors. eta vs tors. theta energy: -151.228 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: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1599.691903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.691903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.691903 (E_RNA) where: Base-Base interactions energy: -949.802 where: short stacking energy: -445.958 Base-Backbone interact. energy: -2.215 local terms energy: -647.674856 where: bonds (distance) C4'-P energy: -148.686 bonds (distance) P-C4' energy: -157.874 flat angles C4'-P-C4' energy: -160.250 flat angles P-C4'-P energy: -100.738 tors. eta vs tors. theta energy: -80.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1495.232011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.232011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.232011 (E_RNA) where: Base-Base interactions energy: -864.485 where: short stacking energy: -431.184 Base-Backbone interact. energy: -2.523 local terms energy: -628.224448 where: bonds (distance) C4'-P energy: -151.307 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -151.297 flat angles P-C4'-P energy: -104.880 tors. eta vs tors. theta energy: -74.217 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: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1100.554679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.554679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.554679 (E_RNA) where: Base-Base interactions energy: -594.630 where: short stacking energy: -326.625 Base-Backbone interact. energy: 2.137 local terms energy: -508.062060 where: bonds (distance) C4'-P energy: -126.589 bonds (distance) P-C4' energy: -145.491 flat angles C4'-P-C4' energy: -138.966 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -16.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1289.240173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.240173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.240173 (E_RNA) where: Base-Base interactions energy: -777.085 where: short stacking energy: -377.430 Base-Backbone interact. energy: 4.381 local terms energy: -516.536341 where: bonds (distance) C4'-P energy: -132.444 bonds (distance) P-C4' energy: -128.729 flat angles C4'-P-C4' energy: -112.627 flat angles P-C4'-P energy: -96.270 tors. eta vs tors. theta energy: -46.467 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: 2 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -962.775027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.775027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.775027 (E_RNA) where: Base-Base interactions energy: -498.039 where: short stacking energy: -293.294 Base-Backbone interact. energy: 2.669 local terms energy: -467.405176 where: bonds (distance) C4'-P energy: -125.980 bonds (distance) P-C4' energy: -164.120 flat angles C4'-P-C4' energy: -133.732 flat angles P-C4'-P energy: -65.439 tors. eta vs tors. theta energy: 21.866 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: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -692.497372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.497372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.497372 (E_RNA) where: Base-Base interactions energy: -284.480 where: short stacking energy: -196.567 Base-Backbone interact. energy: 0.825 local terms energy: -408.842484 where: bonds (distance) C4'-P energy: -132.963 bonds (distance) P-C4' energy: -126.461 flat angles C4'-P-C4' energy: -119.742 flat angles P-C4'-P energy: -54.383 tors. eta vs tors. theta energy: 24.707 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: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2402.076909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.076909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.076909 (E_RNA) where: Base-Base interactions energy: -1618.939 where: short stacking energy: -696.507 Base-Backbone interact. energy: -2.734 local terms energy: -780.404209 where: bonds (distance) C4'-P energy: -142.366 bonds (distance) P-C4' energy: -179.283 flat angles C4'-P-C4' energy: -176.940 flat angles P-C4'-P energy: -113.182 tors. eta vs tors. theta energy: -168.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2284.987462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.987462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.987462 (E_RNA) where: Base-Base interactions energy: -1464.674 where: short stacking energy: -721.830 Base-Backbone interact. energy: -0.784 local terms energy: -819.529909 where: bonds (distance) C4'-P energy: -166.694 bonds (distance) P-C4' energy: -169.795 flat angles C4'-P-C4' energy: -182.472 flat angles P-C4'-P energy: -113.828 tors. eta vs tors. theta energy: -186.741 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: 24 Temperature: 1.000000 Total energy: -2013.436010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.436010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.436010 (E_RNA) where: Base-Base interactions energy: -1247.899 where: short stacking energy: -680.510 Base-Backbone interact. energy: -1.816 local terms energy: -763.720815 where: bonds (distance) C4'-P energy: -167.977 bonds (distance) P-C4' energy: -158.823 flat angles C4'-P-C4' energy: -178.376 flat angles P-C4'-P energy: -89.552 tors. eta vs tors. theta energy: -168.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1876.355130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.355130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.355130 (E_RNA) where: Base-Base interactions energy: -1179.349 where: short stacking energy: -592.212 Base-Backbone interact. energy: -0.490 local terms energy: -696.516012 where: bonds (distance) C4'-P energy: -148.195 bonds (distance) P-C4' energy: -135.715 flat angles C4'-P-C4' energy: -170.525 flat angles P-C4'-P energy: -110.882 tors. eta vs tors. theta energy: -131.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1665.764904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.764904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.764904 (E_RNA) where: Base-Base interactions energy: -1018.780 where: short stacking energy: -498.294 Base-Backbone interact. energy: 2.039 local terms energy: -649.023893 where: bonds (distance) C4'-P energy: -142.668 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -168.489 flat angles P-C4'-P energy: -86.914 tors. eta vs tors. theta energy: -107.167 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: 24 Temperature: 1.150000 Total energy: -1566.830513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.830513 (E_RNA) where: Base-Base interactions energy: -900.456 where: short stacking energy: -497.799 Base-Backbone interact. energy: -1.187 local terms energy: -665.188444 where: bonds (distance) C4'-P energy: -141.773 bonds (distance) P-C4' energy: -169.701 flat angles C4'-P-C4' energy: -157.126 flat angles P-C4'-P energy: -83.985 tors. eta vs tors. theta energy: -112.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1492.366180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.366180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.366180 (E_RNA) where: Base-Base interactions energy: -932.459 where: short stacking energy: -490.342 Base-Backbone interact. energy: 2.913 local terms energy: -562.819783 where: bonds (distance) C4'-P energy: -124.363 bonds (distance) P-C4' energy: -146.363 flat angles C4'-P-C4' energy: -129.312 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -89.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1038.218101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.218101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.218101 (E_RNA) where: Base-Base interactions energy: -521.836 where: short stacking energy: -315.527 Base-Backbone interact. energy: 8.859 local terms energy: -525.240955 where: bonds (distance) C4'-P energy: -140.873 bonds (distance) P-C4' energy: -139.717 flat angles C4'-P-C4' energy: -133.324 flat angles P-C4'-P energy: -84.476 tors. eta vs tors. theta energy: -26.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -945.460222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.460222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.460222 (E_RNA) where: Base-Base interactions energy: -484.395 where: short stacking energy: -264.023 Base-Backbone interact. energy: 1.012 local terms energy: -462.077861 where: bonds (distance) C4'-P energy: -118.884 bonds (distance) P-C4' energy: -117.846 flat angles C4'-P-C4' energy: -143.093 flat angles P-C4'-P energy: -67.138 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -628.719713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.719713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.719713 (E_RNA) where: Base-Base interactions energy: -233.552 where: short stacking energy: -215.003 Base-Backbone interact. energy: 3.032 local terms energy: -398.199024 where: bonds (distance) C4'-P energy: -129.179 bonds (distance) P-C4' energy: -142.301 flat angles C4'-P-C4' energy: -93.607 flat angles P-C4'-P energy: -52.779 tors. eta vs tors. theta energy: 19.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2438.384843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.384843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.384843 (E_RNA) where: Base-Base interactions energy: -1620.674 where: short stacking energy: -707.291 Base-Backbone interact. energy: -0.515 local terms energy: -817.196202 where: bonds (distance) C4'-P energy: -156.181 bonds (distance) P-C4' energy: -168.800 flat angles C4'-P-C4' energy: -201.714 flat angles P-C4'-P energy: -113.264 tors. eta vs tors. theta energy: -177.237 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: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2311.451558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.451558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.451558 (E_RNA) where: Base-Base interactions energy: -1501.015 where: short stacking energy: -703.756 Base-Backbone interact. energy: -3.414 local terms energy: -807.021771 where: bonds (distance) C4'-P energy: -157.511 bonds (distance) P-C4' energy: -176.456 flat angles C4'-P-C4' energy: -188.324 flat angles P-C4'-P energy: -107.422 tors. eta vs tors. theta energy: -177.309 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: 3, replica: 3 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2062.157745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.157745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.157745 (E_RNA) where: Base-Base interactions energy: -1293.685 where: short stacking energy: -685.632 Base-Backbone interact. energy: -1.559 local terms energy: -766.913276 where: bonds (distance) C4'-P energy: -156.553 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -184.594 flat angles P-C4'-P energy: -108.343 tors. eta vs tors. theta energy: -167.701 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: 6 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1900.577233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.577233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.577233 (E_RNA) where: Base-Base interactions energy: -1183.575 where: short stacking energy: -590.766 Base-Backbone interact. energy: -2.880 local terms energy: -714.122278 where: bonds (distance) C4'-P energy: -158.158 bonds (distance) P-C4' energy: -153.907 flat angles C4'-P-C4' energy: -164.900 flat angles P-C4'-P energy: -100.765 tors. eta vs tors. theta energy: -136.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1666.391372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.391372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.391372 (E_RNA) where: Base-Base interactions energy: -992.267 where: short stacking energy: -506.412 Base-Backbone interact. energy: -1.112 local terms energy: -673.012885 where: bonds (distance) C4'-P energy: -154.115 bonds (distance) P-C4' energy: -152.458 flat angles C4'-P-C4' energy: -149.895 flat angles P-C4'-P energy: -103.324 tors. eta vs tors. theta energy: -113.221 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: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1527.231352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.231352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.231352 (E_RNA) where: Base-Base interactions energy: -902.594 where: short stacking energy: -483.469 Base-Backbone interact. energy: -1.364 local terms energy: -623.273251 where: bonds (distance) C4'-P energy: -144.479 bonds (distance) P-C4' energy: -140.683 flat angles C4'-P-C4' energy: -139.128 flat angles P-C4'-P energy: -103.285 tors. eta vs tors. theta energy: -95.698 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: 7 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1522.775379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.775379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.775379 (E_RNA) where: Base-Base interactions energy: -925.607 where: short stacking energy: -484.274 Base-Backbone interact. energy: 1.983 local terms energy: -599.150790 where: bonds (distance) C4'-P energy: -147.407 bonds (distance) P-C4' energy: -147.777 flat angles C4'-P-C4' energy: -133.187 flat angles P-C4'-P energy: -90.228 tors. eta vs tors. theta energy: -80.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1004.423926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.423926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.423926 (E_RNA) where: Base-Base interactions energy: -521.087 where: short stacking energy: -279.440 Base-Backbone interact. energy: 6.801 local terms energy: -490.137699 where: bonds (distance) C4'-P energy: -146.980 bonds (distance) P-C4' energy: -135.485 flat angles C4'-P-C4' energy: -119.864 flat angles P-C4'-P energy: -76.006 tors. eta vs tors. theta energy: -11.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -919.568428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.568428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.568428 (E_RNA) where: Base-Base interactions energy: -463.889 where: short stacking energy: -258.317 Base-Backbone interact. energy: 2.191 local terms energy: -457.870508 where: bonds (distance) C4'-P energy: -131.630 bonds (distance) P-C4' energy: -153.539 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -76.072 tors. eta vs tors. theta energy: 19.758 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -686.944949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.944949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.944949 (E_RNA) where: Base-Base interactions energy: -284.454 where: short stacking energy: -222.737 Base-Backbone interact. energy: -1.604 local terms energy: -400.887049 where: bonds (distance) C4'-P energy: -128.004 bonds (distance) P-C4' energy: -112.076 flat angles C4'-P-C4' energy: -107.909 flat angles P-C4'-P energy: -63.257 tors. eta vs tors. theta energy: 10.359 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: 9 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2484.168228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.168228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.168228 (E_RNA) where: Base-Base interactions energy: -1670.385 where: short stacking energy: -719.357 Base-Backbone interact. energy: -4.845 local terms energy: -808.938240 where: bonds (distance) C4'-P energy: -165.047 bonds (distance) P-C4' energy: -174.721 flat angles C4'-P-C4' energy: -173.503 flat angles P-C4'-P energy: -117.710 tors. eta vs tors. theta energy: -177.957 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: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2401.804406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.804406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.804406 (E_RNA) where: Base-Base interactions energy: -1555.766 where: short stacking energy: -742.097 Base-Backbone interact. energy: -2.727 local terms energy: -843.311503 where: bonds (distance) C4'-P energy: -168.742 bonds (distance) P-C4' energy: -175.250 flat angles C4'-P-C4' energy: -173.382 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -205.822 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: 3 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2021.086076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.086076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.086076 (E_RNA) where: Base-Base interactions energy: -1271.269 where: short stacking energy: -683.695 Base-Backbone interact. energy: -1.849 local terms energy: -747.968829 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -173.338 flat angles P-C4'-P energy: -98.595 tors. eta vs tors. theta energy: -172.203 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: 26 Temperature: 1.050000 Total energy: -1902.307018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.307018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.307018 (E_RNA) where: Base-Base interactions energy: -1196.119 where: short stacking energy: -623.378 Base-Backbone interact. energy: -1.868 local terms energy: -704.319720 where: bonds (distance) C4'-P energy: -143.057 bonds (distance) P-C4' energy: -145.885 flat angles C4'-P-C4' energy: -173.940 flat angles P-C4'-P energy: -104.724 tors. eta vs tors. theta energy: -136.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1732.089826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.089826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.089826 (E_RNA) where: Base-Base interactions energy: -1078.019 where: short stacking energy: -527.209 Base-Backbone interact. energy: -2.152 local terms energy: -651.918864 where: bonds (distance) C4'-P energy: -142.611 bonds (distance) P-C4' energy: -139.760 flat angles C4'-P-C4' energy: -139.997 flat angles P-C4'-P energy: -115.054 tors. eta vs tors. theta energy: -114.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1509.511677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.511677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.511677 (E_RNA) where: Base-Base interactions energy: -913.187 where: short stacking energy: -477.169 Base-Backbone interact. energy: -2.013 local terms energy: -594.311710 where: bonds (distance) C4'-P energy: -136.417 bonds (distance) P-C4' energy: -159.720 flat angles C4'-P-C4' energy: -130.572 flat angles P-C4'-P energy: -81.950 tors. eta vs tors. theta energy: -85.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1531.400779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.400779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.400779 (E_RNA) where: Base-Base interactions energy: -944.936 where: short stacking energy: -468.781 Base-Backbone interact. energy: 4.355 local terms energy: -590.819149 where: bonds (distance) C4'-P energy: -146.371 bonds (distance) P-C4' energy: -145.292 flat angles C4'-P-C4' energy: -135.646 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -81.627 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: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1227.079806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.079806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.079806 (E_RNA) where: Base-Base interactions energy: -672.844 where: short stacking energy: -353.910 Base-Backbone interact. energy: 7.634 local terms energy: -561.870300 where: bonds (distance) C4'-P energy: -147.612 bonds (distance) P-C4' energy: -146.907 flat angles C4'-P-C4' energy: -131.689 flat angles P-C4'-P energy: -86.825 tors. eta vs tors. theta energy: -48.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1007.087167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.087167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.087167 (E_RNA) where: Base-Base interactions energy: -509.626 where: short stacking energy: -312.239 Base-Backbone interact. energy: 8.286 local terms energy: -505.747433 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -148.367 flat angles C4'-P-C4' energy: -140.141 flat angles P-C4'-P energy: -80.684 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: 26 Temperature: 1.350000 Total energy: -640.332168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.332168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.332168 (E_RNA) where: Base-Base interactions energy: -238.297 where: short stacking energy: -203.458 Base-Backbone interact. energy: 3.975 local terms energy: -406.010052 where: bonds (distance) C4'-P energy: -134.174 bonds (distance) P-C4' energy: -130.946 flat angles C4'-P-C4' energy: -79.485 flat angles P-C4'-P energy: -79.950 tors. eta vs tors. theta energy: 18.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2523.296139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.296139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.296139 (E_RNA) where: Base-Base interactions energy: -1680.632 where: short stacking energy: -750.505 Base-Backbone interact. energy: -7.048 local terms energy: -835.615582 where: bonds (distance) C4'-P energy: -154.900 bonds (distance) P-C4' energy: -167.660 flat angles C4'-P-C4' energy: -186.318 flat angles P-C4'-P energy: -134.344 tors. eta vs tors. theta energy: -192.393 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: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2354.656787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.656787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.656787 (E_RNA) where: Base-Base interactions energy: -1568.102 where: short stacking energy: -750.035 Base-Backbone interact. energy: 1.267 local terms energy: -787.821657 where: bonds (distance) C4'-P energy: -146.096 bonds (distance) P-C4' energy: -141.695 flat angles C4'-P-C4' energy: -173.824 flat angles P-C4'-P energy: -133.979 tors. eta vs tors. theta energy: -192.227 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: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2085.170752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.170752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.170752 (E_RNA) where: Base-Base interactions energy: -1299.786 where: short stacking energy: -696.994 Base-Backbone interact. energy: -2.206 local terms energy: -783.178069 where: bonds (distance) C4'-P energy: -152.632 bonds (distance) P-C4' energy: -167.491 flat angles C4'-P-C4' energy: -171.734 flat angles P-C4'-P energy: -113.745 tors. eta vs tors. theta energy: -177.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1954.084839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.084839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.084839 (E_RNA) where: Base-Base interactions energy: -1201.958 where: short stacking energy: -594.920 Base-Backbone interact. energy: -6.370 local terms energy: -745.757329 where: bonds (distance) C4'-P energy: -160.492 bonds (distance) P-C4' energy: -168.134 flat angles C4'-P-C4' energy: -169.878 flat angles P-C4'-P energy: -96.712 tors. eta vs tors. theta energy: -150.542 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: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1780.716427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.716427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.716427 (E_RNA) where: Base-Base interactions energy: -1120.422 where: short stacking energy: -510.679 Base-Backbone interact. energy: 1.669 local terms energy: -661.963321 where: bonds (distance) C4'-P energy: -146.147 bonds (distance) P-C4' energy: -149.858 flat angles C4'-P-C4' energy: -144.122 flat angles P-C4'-P energy: -103.891 tors. eta vs tors. theta energy: -117.945 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: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1563.847875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.847875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.847875 (E_RNA) where: Base-Base interactions energy: -908.313 where: short stacking energy: -473.862 Base-Backbone interact. energy: -1.754 local terms energy: -653.781052 where: bonds (distance) C4'-P energy: -166.693 bonds (distance) P-C4' energy: -163.346 flat angles C4'-P-C4' energy: -142.001 flat angles P-C4'-P energy: -77.629 tors. eta vs tors. theta energy: -104.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1526.528752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.528752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.528752 (E_RNA) where: Base-Base interactions energy: -943.397 where: short stacking energy: -445.597 Base-Backbone interact. energy: 2.020 local terms energy: -585.151144 where: bonds (distance) C4'-P energy: -136.736 bonds (distance) P-C4' energy: -144.678 flat angles C4'-P-C4' energy: -143.176 flat angles P-C4'-P energy: -93.670 tors. eta vs tors. theta energy: -66.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1196.140216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.140216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.140216 (E_RNA) where: Base-Base interactions energy: -655.299 where: short stacking energy: -368.858 Base-Backbone interact. energy: 3.792 local terms energy: -544.633141 where: bonds (distance) C4'-P energy: -139.097 bonds (distance) P-C4' energy: -144.984 flat angles C4'-P-C4' energy: -130.237 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: -55.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -922.722237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.722237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.722237 (E_RNA) where: Base-Base interactions energy: -449.554 where: short stacking energy: -287.431 Base-Backbone interact. energy: -2.397 local terms energy: -470.770983 where: bonds (distance) C4'-P energy: -132.127 bonds (distance) P-C4' energy: -144.437 flat angles C4'-P-C4' energy: -120.661 flat angles P-C4'-P energy: -61.973 tors. eta vs tors. theta energy: -11.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -677.993999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.993999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.993999 (E_RNA) where: Base-Base interactions energy: -281.212 where: short stacking energy: -198.253 Base-Backbone interact. energy: 6.269 local terms energy: -403.051070 where: bonds (distance) C4'-P energy: -107.485 bonds (distance) P-C4' energy: -142.608 flat angles C4'-P-C4' energy: -118.624 flat angles P-C4'-P energy: -62.714 tors. eta vs tors. theta energy: 28.380 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: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2518.598909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.598909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.598909 (E_RNA) where: Base-Base interactions energy: -1703.690 where: short stacking energy: -726.846 Base-Backbone interact. energy: -0.117 local terms energy: -814.791834 where: bonds (distance) C4'-P energy: -164.252 bonds (distance) P-C4' energy: -177.881 flat angles C4'-P-C4' energy: -184.833 flat angles P-C4'-P energy: -115.726 tors. eta vs tors. theta energy: -172.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2424.976732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.976732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.976732 (E_RNA) where: Base-Base interactions energy: -1616.155 where: short stacking energy: -748.243 Base-Backbone interact. energy: -3.472 local terms energy: -805.350157 where: bonds (distance) C4'-P energy: -160.494 bonds (distance) P-C4' energy: -160.593 flat angles C4'-P-C4' energy: -189.299 flat angles P-C4'-P energy: -99.705 tors. eta vs tors. theta energy: -195.259 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: 3 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2048.933162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.933162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.933162 (E_RNA) where: Base-Base interactions energy: -1295.306 where: short stacking energy: -691.006 Base-Backbone interact. energy: 3.404 local terms energy: -757.031075 where: bonds (distance) C4'-P energy: -161.243 bonds (distance) P-C4' energy: -158.970 flat angles C4'-P-C4' energy: -142.171 flat angles P-C4'-P energy: -109.897 tors. eta vs tors. theta energy: -184.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1965.771482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.771482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.771482 (E_RNA) where: Base-Base interactions energy: -1273.080 where: short stacking energy: -611.941 Base-Backbone interact. energy: 1.079 local terms energy: -693.770938 where: bonds (distance) C4'-P energy: -126.092 bonds (distance) P-C4' energy: -158.191 flat angles C4'-P-C4' energy: -174.555 flat angles P-C4'-P energy: -96.226 tors. eta vs tors. theta energy: -138.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1885.123430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.123430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.123430 (E_RNA) where: Base-Base interactions energy: -1180.650 where: short stacking energy: -578.592 Base-Backbone interact. energy: -2.838 local terms energy: -701.635902 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -135.067 flat angles C4'-P-C4' energy: -166.353 flat angles P-C4'-P energy: -113.355 tors. eta vs tors. theta energy: -139.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1807.745818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.745818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.745818 (E_RNA) where: Base-Base interactions energy: -1110.414 where: short stacking energy: -519.789 Base-Backbone interact. energy: 3.641 local terms energy: -700.972179 where: bonds (distance) C4'-P energy: -154.041 bonds (distance) P-C4' energy: -158.777 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -112.718 tors. eta vs tors. theta energy: -117.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1619.595648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.595648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.595648 (E_RNA) where: Base-Base interactions energy: -1036.193 where: short stacking energy: -493.576 Base-Backbone interact. energy: -4.889 local terms energy: -578.514096 where: bonds (distance) C4'-P energy: -120.087 bonds (distance) P-C4' energy: -127.300 flat angles C4'-P-C4' energy: -160.528 flat angles P-C4'-P energy: -101.788 tors. eta vs tors. theta energy: -68.811 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: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1265.960900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.960900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.960900 (E_RNA) where: Base-Base interactions energy: -727.305 where: short stacking energy: -387.099 Base-Backbone interact. energy: 0.163 local terms energy: -538.818750 where: bonds (distance) C4'-P energy: -124.303 bonds (distance) P-C4' energy: -154.319 flat angles C4'-P-C4' energy: -123.985 flat angles P-C4'-P energy: -87.234 tors. eta vs tors. theta energy: -48.977 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: 2 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -998.883226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.883226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.883226 (E_RNA) where: Base-Base interactions energy: -527.094 where: short stacking energy: -330.469 Base-Backbone interact. energy: -0.480 local terms energy: -471.309119 where: bonds (distance) C4'-P energy: -101.845 bonds (distance) P-C4' energy: -158.077 flat angles C4'-P-C4' energy: -119.289 flat angles P-C4'-P energy: -70.412 tors. eta vs tors. theta energy: -21.688 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: 28 Temperature: 1.350000 Total energy: -698.278450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.278450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.278450 (E_RNA) where: Base-Base interactions energy: -289.406 where: short stacking energy: -229.916 Base-Backbone interact. energy: 11.420 local terms energy: -420.292586 where: bonds (distance) C4'-P energy: -116.468 bonds (distance) P-C4' energy: -158.290 flat angles C4'-P-C4' energy: -119.672 flat angles P-C4'-P energy: -58.572 tors. eta vs tors. theta energy: 32.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2553.459048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.459048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.459048 (E_RNA) where: Base-Base interactions energy: -1765.691 where: short stacking energy: -741.167 Base-Backbone interact. energy: -2.074 local terms energy: -785.693938 where: bonds (distance) C4'-P energy: -168.762 bonds (distance) P-C4' energy: -169.434 flat angles C4'-P-C4' energy: -181.297 flat angles P-C4'-P energy: -94.676 tors. eta vs tors. theta energy: -171.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2441.334077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.334077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.334077 (E_RNA) where: Base-Base interactions energy: -1605.103 where: short stacking energy: -736.365 Base-Backbone interact. energy: -2.874 local terms energy: -833.357517 where: bonds (distance) C4'-P energy: -174.985 bonds (distance) P-C4' energy: -162.173 flat angles C4'-P-C4' energy: -189.935 flat angles P-C4'-P energy: -117.491 tors. eta vs tors. theta energy: -188.774 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: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2120.260213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.260213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.260213 (E_RNA) where: Base-Base interactions energy: -1341.452 where: short stacking energy: -684.767 Base-Backbone interact. energy: 1.276 local terms energy: -780.083470 where: bonds (distance) C4'-P energy: -144.992 bonds (distance) P-C4' energy: -175.720 flat angles C4'-P-C4' energy: -177.631 flat angles P-C4'-P energy: -102.954 tors. eta vs tors. theta energy: -178.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2007.197477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.197477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.197477 (E_RNA) where: Base-Base interactions energy: -1256.302 where: short stacking energy: -616.194 Base-Backbone interact. energy: -4.230 local terms energy: -746.665079 where: bonds (distance) C4'-P energy: -160.453 bonds (distance) P-C4' energy: -171.567 flat angles C4'-P-C4' energy: -167.564 flat angles P-C4'-P energy: -98.193 tors. eta vs tors. theta energy: -148.888 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: 5, replica: 8 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1829.002419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.002419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.002419 (E_RNA) where: Base-Base interactions energy: -1150.988 where: short stacking energy: -578.855 Base-Backbone interact. energy: -3.729 local terms energy: -674.285200 where: bonds (distance) C4'-P energy: -140.993 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -152.704 flat angles P-C4'-P energy: -87.887 tors. eta vs tors. theta energy: -151.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1862.346500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.346500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.346500 (E_RNA) where: Base-Base interactions energy: -1184.825 where: short stacking energy: -507.263 Base-Backbone interact. energy: -1.417 local terms energy: -676.104351 where: bonds (distance) C4'-P energy: -133.875 bonds (distance) P-C4' energy: -170.391 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -105.784 tors. eta vs tors. theta energy: -110.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1618.810125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.810125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.810125 (E_RNA) where: Base-Base interactions energy: -1056.763 where: short stacking energy: -535.329 Base-Backbone interact. energy: -1.750 local terms energy: -560.296875 where: bonds (distance) C4'-P energy: -106.791 bonds (distance) P-C4' energy: -142.338 flat angles C4'-P-C4' energy: -133.380 flat angles P-C4'-P energy: -81.741 tors. eta vs tors. theta energy: -96.048 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: 29 Temperature: 1.250000 Total energy: -1268.084646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.084646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.084646 (E_RNA) where: Base-Base interactions energy: -734.590 where: short stacking energy: -384.447 Base-Backbone interact. energy: 2.835 local terms energy: -536.329933 where: bonds (distance) C4'-P energy: -138.343 bonds (distance) P-C4' energy: -136.822 flat angles C4'-P-C4' energy: -130.443 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -68.671 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: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1026.722869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.722869 (E_RNA) where: Base-Base interactions energy: -525.789 where: short stacking energy: -289.115 Base-Backbone interact. energy: 0.739 local terms energy: -501.673271 where: bonds (distance) C4'-P energy: -132.791 bonds (distance) P-C4' energy: -152.977 flat angles C4'-P-C4' energy: -137.363 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -14.164 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: 29 Temperature: 1.350000 Total energy: -727.655786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.655786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.655786 (E_RNA) where: Base-Base interactions energy: -310.831 where: short stacking energy: -223.028 Base-Backbone interact. energy: 1.554 local terms energy: -418.378333 where: bonds (distance) C4'-P energy: -146.611 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -129.445 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: 18.625 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: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2579.271455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.271455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.271455 (E_RNA) where: Base-Base interactions energy: -1733.046 where: short stacking energy: -738.407 Base-Backbone interact. energy: -8.741 local terms energy: -837.484942 where: bonds (distance) C4'-P energy: -169.981 bonds (distance) P-C4' energy: -179.446 flat angles C4'-P-C4' energy: -179.457 flat angles P-C4'-P energy: -122.044 tors. eta vs tors. theta energy: -186.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2402.415808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.415808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.415808 (E_RNA) where: Base-Base interactions energy: -1608.093 where: short stacking energy: -767.096 Base-Backbone interact. energy: -1.101 local terms energy: -793.222471 where: bonds (distance) C4'-P energy: -144.628 bonds (distance) P-C4' energy: -152.438 flat angles C4'-P-C4' energy: -181.753 flat angles P-C4'-P energy: -118.802 tors. eta vs tors. theta energy: -195.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2118.324065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.324065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.324065 (E_RNA) where: Base-Base interactions energy: -1347.867 where: short stacking energy: -698.240 Base-Backbone interact. energy: -1.720 local terms energy: -768.737150 where: bonds (distance) C4'-P energy: -163.104 bonds (distance) P-C4' energy: -153.554 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -102.571 tors. eta vs tors. theta energy: -177.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2001.531460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.531460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.531460 (E_RNA) where: Base-Base interactions energy: -1298.618 where: short stacking energy: -632.351 Base-Backbone interact. energy: -5.339 local terms energy: -697.574053 where: bonds (distance) C4'-P energy: -140.319 bonds (distance) P-C4' energy: -155.459 flat angles C4'-P-C4' energy: -148.139 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -149.186 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: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1894.327925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.327925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.327925 (E_RNA) where: Base-Base interactions energy: -1181.655 where: short stacking energy: -587.315 Base-Backbone interact. energy: -1.861 local terms energy: -710.812216 where: bonds (distance) C4'-P energy: -141.154 bonds (distance) P-C4' energy: -155.575 flat angles C4'-P-C4' energy: -171.546 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -140.835 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: 30 Temperature: 1.150000 Total energy: -1800.025320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.025320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.025320 (E_RNA) where: Base-Base interactions energy: -1111.200 where: short stacking energy: -521.608 Base-Backbone interact. energy: 0.208 local terms energy: -689.033100 where: bonds (distance) C4'-P energy: -160.072 bonds (distance) P-C4' energy: -147.084 flat angles C4'-P-C4' energy: -172.889 flat angles P-C4'-P energy: -102.729 tors. eta vs tors. theta energy: -106.259 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: 30 Temperature: 1.200000 Total energy: -1608.926012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.926012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.926012 (E_RNA) where: Base-Base interactions energy: -1017.341 where: short stacking energy: -470.401 Base-Backbone interact. energy: -1.668 local terms energy: -589.917346 where: bonds (distance) C4'-P energy: -144.392 bonds (distance) P-C4' energy: -135.551 flat angles C4'-P-C4' energy: -142.160 flat angles P-C4'-P energy: -84.098 tors. eta vs tors. theta energy: -83.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1317.596231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.596231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.596231 (E_RNA) where: Base-Base interactions energy: -782.233 where: short stacking energy: -408.061 Base-Backbone interact. energy: 1.331 local terms energy: -536.694505 where: bonds (distance) C4'-P energy: -121.838 bonds (distance) P-C4' energy: -141.597 flat angles C4'-P-C4' energy: -137.252 flat angles P-C4'-P energy: -75.846 tors. eta vs tors. theta energy: -60.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1027.745325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.745325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.745325 (E_RNA) where: Base-Base interactions energy: -553.283 where: short stacking energy: -296.373 Base-Backbone interact. energy: 12.168 local terms energy: -486.630154 where: bonds (distance) C4'-P energy: -131.704 bonds (distance) P-C4' energy: -138.720 flat angles C4'-P-C4' energy: -122.783 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -26.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -679.019015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.019015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.019015 (E_RNA) where: Base-Base interactions energy: -268.767 where: short stacking energy: -183.937 Base-Backbone interact. energy: 3.491 local terms energy: -413.743556 where: bonds (distance) C4'-P energy: -128.614 bonds (distance) P-C4' energy: -130.701 flat angles C4'-P-C4' energy: -129.330 flat angles P-C4'-P energy: -62.539 tors. eta vs tors. theta energy: 37.441 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: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2543.581799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.581799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.581799 (E_RNA) where: Base-Base interactions energy: -1698.686 where: short stacking energy: -747.725 Base-Backbone interact. energy: -3.192 local terms energy: -841.703641 where: bonds (distance) C4'-P energy: -157.502 bonds (distance) P-C4' energy: -168.437 flat angles C4'-P-C4' energy: -192.430 flat angles P-C4'-P energy: -138.103 tors. eta vs tors. theta energy: -185.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2420.193027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.193027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.193027 (E_RNA) where: Base-Base interactions energy: -1609.380 where: short stacking energy: -742.738 Base-Backbone interact. energy: -3.539 local terms energy: -807.274592 where: bonds (distance) C4'-P energy: -150.829 bonds (distance) P-C4' energy: -152.168 flat angles C4'-P-C4' energy: -176.295 flat angles P-C4'-P energy: -130.824 tors. eta vs tors. theta energy: -197.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2153.324971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.324971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.324971 (E_RNA) where: Base-Base interactions energy: -1371.871 where: short stacking energy: -722.694 Base-Backbone interact. energy: -3.114 local terms energy: -778.340610 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -169.127 flat angles C4'-P-C4' energy: -174.762 flat angles P-C4'-P energy: -109.359 tors. eta vs tors. theta energy: -178.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2076.714633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.714633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.714633 (E_RNA) where: Base-Base interactions energy: -1345.957 where: short stacking energy: -637.927 Base-Backbone interact. energy: 2.752 local terms energy: -733.509021 where: bonds (distance) C4'-P energy: -146.921 bonds (distance) P-C4' energy: -159.822 flat angles C4'-P-C4' energy: -149.528 flat angles P-C4'-P energy: -110.306 tors. eta vs tors. theta energy: -166.932 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: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1928.131339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.131339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.131339 (E_RNA) where: Base-Base interactions energy: -1226.253 where: short stacking energy: -565.936 Base-Backbone interact. energy: -0.855 local terms energy: -701.023196 where: bonds (distance) C4'-P energy: -149.124 bonds (distance) P-C4' energy: -161.744 flat angles C4'-P-C4' energy: -167.058 flat angles P-C4'-P energy: -98.038 tors. eta vs tors. theta energy: -125.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1842.519548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.519548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.519548 (E_RNA) where: Base-Base interactions energy: -1186.628 where: short stacking energy: -563.862 Base-Backbone interact. energy: 0.283 local terms energy: -656.175164 where: bonds (distance) C4'-P energy: -124.264 bonds (distance) P-C4' energy: -155.943 flat angles C4'-P-C4' energy: -158.197 flat angles P-C4'-P energy: -87.520 tors. eta vs tors. theta energy: -130.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1649.617906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.617906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.617906 (E_RNA) where: Base-Base interactions energy: -1035.307 where: short stacking energy: -479.232 Base-Backbone interact. energy: -4.600 local terms energy: -609.711356 where: bonds (distance) C4'-P energy: -140.778 bonds (distance) P-C4' energy: -133.707 flat angles C4'-P-C4' energy: -143.143 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -90.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1371.351823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.351823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.351823 (E_RNA) where: Base-Base interactions energy: -835.117 where: short stacking energy: -417.661 Base-Backbone interact. energy: 1.917 local terms energy: -538.151120 where: bonds (distance) C4'-P energy: -115.120 bonds (distance) P-C4' energy: -146.452 flat angles C4'-P-C4' energy: -145.185 flat angles P-C4'-P energy: -89.192 tors. eta vs tors. theta energy: -42.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1048.859366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.859366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.859366 (E_RNA) where: Base-Base interactions energy: -556.311 where: short stacking energy: -309.501 Base-Backbone interact. energy: -2.524 local terms energy: -490.024685 where: bonds (distance) C4'-P energy: -139.114 bonds (distance) P-C4' energy: -149.545 flat angles C4'-P-C4' energy: -115.872 flat angles P-C4'-P energy: -59.704 tors. eta vs tors. theta energy: -25.789 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: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -753.379143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.379143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.379143 (E_RNA) where: Base-Base interactions energy: -327.826 where: short stacking energy: -258.474 Base-Backbone interact. energy: -1.763 local terms energy: -423.790287 where: bonds (distance) C4'-P energy: -128.761 bonds (distance) P-C4' energy: -124.469 flat angles C4'-P-C4' energy: -98.987 flat angles P-C4'-P energy: -67.667 tors. eta vs tors. theta energy: -3.906 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: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2506.804911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.804911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.804911 (E_RNA) where: Base-Base interactions energy: -1722.148 where: short stacking energy: -748.833 Base-Backbone interact. energy: -5.752 local terms energy: -778.905144 where: bonds (distance) C4'-P energy: -155.945 bonds (distance) P-C4' energy: -155.272 flat angles C4'-P-C4' energy: -177.164 flat angles P-C4'-P energy: -120.322 tors. eta vs tors. theta energy: -170.201 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: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2433.534123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.534123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.534123 (E_RNA) where: Base-Base interactions energy: -1608.188 where: short stacking energy: -751.990 Base-Backbone interact. energy: -2.650 local terms energy: -822.696110 where: bonds (distance) C4'-P energy: -156.049 bonds (distance) P-C4' energy: -160.114 flat angles C4'-P-C4' energy: -182.266 flat angles P-C4'-P energy: -115.643 tors. eta vs tors. theta energy: -208.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2159.504196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.504196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.504196 (E_RNA) where: Base-Base interactions energy: -1399.258 where: short stacking energy: -652.599 Base-Backbone interact. energy: -0.992 local terms energy: -759.254728 where: bonds (distance) C4'-P energy: -160.820 bonds (distance) P-C4' energy: -167.868 flat angles C4'-P-C4' energy: -162.734 flat angles P-C4'-P energy: -112.484 tors. eta vs tors. theta energy: -155.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2073.116564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.116564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.116564 (E_RNA) where: Base-Base interactions energy: -1316.537 where: short stacking energy: -644.797 Base-Backbone interact. energy: 1.270 local terms energy: -757.849681 where: bonds (distance) C4'-P energy: -150.364 bonds (distance) P-C4' energy: -157.694 flat angles C4'-P-C4' energy: -170.873 flat angles P-C4'-P energy: -109.491 tors. eta vs tors. theta energy: -169.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1858.043233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.043233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.043233 (E_RNA) where: Base-Base interactions energy: -1180.950 where: short stacking energy: -522.315 Base-Backbone interact. energy: 0.424 local terms energy: -677.516977 where: bonds (distance) C4'-P energy: -155.275 bonds (distance) P-C4' energy: -153.657 flat angles C4'-P-C4' energy: -160.357 flat angles P-C4'-P energy: -94.194 tors. eta vs tors. theta energy: -114.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1799.149089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.149089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.149089 (E_RNA) where: Base-Base interactions energy: -1144.820 where: short stacking energy: -527.317 Base-Backbone interact. energy: 2.858 local terms energy: -657.187138 where: bonds (distance) C4'-P energy: -145.604 bonds (distance) P-C4' energy: -154.484 flat angles C4'-P-C4' energy: -145.394 flat angles P-C4'-P energy: -89.257 tors. eta vs tors. theta energy: -122.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1641.498187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.498187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.498187 (E_RNA) where: Base-Base interactions energy: -1054.128 where: short stacking energy: -467.209 Base-Backbone interact. energy: -2.227 local terms energy: -585.143021 where: bonds (distance) C4'-P energy: -126.450 bonds (distance) P-C4' energy: -146.339 flat angles C4'-P-C4' energy: -141.915 flat angles P-C4'-P energy: -97.091 tors. eta vs tors. theta energy: -73.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1321.887316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.887316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.887316 (E_RNA) where: Base-Base interactions energy: -797.685 where: short stacking energy: -415.840 Base-Backbone interact. energy: -0.911 local terms energy: -523.291461 where: bonds (distance) C4'-P energy: -142.499 bonds (distance) P-C4' energy: -127.609 flat angles C4'-P-C4' energy: -109.038 flat angles P-C4'-P energy: -95.732 tors. eta vs tors. theta energy: -48.412 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: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1034.191041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.191041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.191041 (E_RNA) where: Base-Base interactions energy: -542.588 where: short stacking energy: -293.012 Base-Backbone interact. energy: 4.017 local terms energy: -495.619581 where: bonds (distance) C4'-P energy: -126.182 bonds (distance) P-C4' energy: -139.544 flat angles C4'-P-C4' energy: -126.885 flat angles P-C4'-P energy: -83.297 tors. eta vs tors. theta energy: -19.711 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: 32 Temperature: 1.350000 Total energy: -782.698723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.698723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.698723 (E_RNA) where: Base-Base interactions energy: -353.320 where: short stacking energy: -199.346 Base-Backbone interact. energy: 4.414 local terms energy: -433.792989 where: bonds (distance) C4'-P energy: -148.126 bonds (distance) P-C4' energy: -109.426 flat angles C4'-P-C4' energy: -123.452 flat angles P-C4'-P energy: -69.450 tors. eta vs tors. theta energy: 16.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2533.850937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.850937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.850937 (E_RNA) where: Base-Base interactions energy: -1692.027 where: short stacking energy: -735.252 Base-Backbone interact. energy: -2.224 local terms energy: -839.599756 where: bonds (distance) C4'-P energy: -165.164 bonds (distance) P-C4' energy: -180.400 flat angles C4'-P-C4' energy: -184.496 flat angles P-C4'-P energy: -127.942 tors. eta vs tors. theta energy: -181.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2415.358196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.358196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.358196 (E_RNA) where: Base-Base interactions energy: -1593.679 where: short stacking energy: -763.626 Base-Backbone interact. energy: -2.463 local terms energy: -819.215962 where: bonds (distance) C4'-P energy: -163.527 bonds (distance) P-C4' energy: -167.705 flat angles C4'-P-C4' energy: -185.397 flat angles P-C4'-P energy: -108.311 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: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2210.902288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.902288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.902288 (E_RNA) where: Base-Base interactions energy: -1441.062 where: short stacking energy: -664.386 Base-Backbone interact. energy: -3.767 local terms energy: -766.073113 where: bonds (distance) C4'-P energy: -167.211 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -168.797 flat angles P-C4'-P energy: -117.032 tors. eta vs tors. theta energy: -160.683 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: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2049.319060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.319060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.319060 (E_RNA) where: Base-Base interactions energy: -1308.809 where: short stacking energy: -664.322 Base-Backbone interact. energy: -1.338 local terms energy: -739.172228 where: bonds (distance) C4'-P energy: -141.710 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -170.408 flat angles P-C4'-P energy: -109.564 tors. eta vs tors. theta energy: -162.197 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: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1962.337431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.337431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.337431 (E_RNA) where: Base-Base interactions energy: -1278.303 where: short stacking energy: -614.591 Base-Backbone interact. energy: -1.989 local terms energy: -682.045070 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -151.356 flat angles C4'-P-C4' energy: -165.842 flat angles P-C4'-P energy: -96.322 tors. eta vs tors. theta energy: -144.725 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: 7 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1793.578938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.578938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.578938 (E_RNA) where: Base-Base interactions energy: -1145.730 where: short stacking energy: -538.993 Base-Backbone interact. energy: -0.095 local terms energy: -647.753753 where: bonds (distance) C4'-P energy: -136.004 bonds (distance) P-C4' energy: -151.878 flat angles C4'-P-C4' energy: -153.935 flat angles P-C4'-P energy: -100.301 tors. eta vs tors. theta energy: -105.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1752.489067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.489067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.489067 (E_RNA) where: Base-Base interactions energy: -1134.140 where: short stacking energy: -515.035 Base-Backbone interact. energy: -0.267 local terms energy: -618.081936 where: bonds (distance) C4'-P energy: -143.289 bonds (distance) P-C4' energy: -132.166 flat angles C4'-P-C4' energy: -153.410 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -96.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1332.880537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.880537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.880537 (E_RNA) where: Base-Base interactions energy: -765.532 where: short stacking energy: -411.050 Base-Backbone interact. energy: -6.449 local terms energy: -560.899426 where: bonds (distance) C4'-P energy: -145.334 bonds (distance) P-C4' energy: -146.016 flat angles C4'-P-C4' energy: -128.549 flat angles P-C4'-P energy: -67.099 tors. eta vs tors. theta energy: -73.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1135.967476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.967476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.967476 (E_RNA) where: Base-Base interactions energy: -635.836 where: short stacking energy: -328.689 Base-Backbone interact. energy: 1.994 local terms energy: -502.125154 where: bonds (distance) C4'-P energy: -125.751 bonds (distance) P-C4' energy: -140.295 flat angles C4'-P-C4' energy: -131.662 flat angles P-C4'-P energy: -77.981 tors. eta vs tors. theta energy: -26.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -801.790255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.790255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.790255 (E_RNA) where: Base-Base interactions energy: -389.309 where: short stacking energy: -241.616 Base-Backbone interact. energy: 3.084 local terms energy: -415.565356 where: bonds (distance) C4'-P energy: -145.161 bonds (distance) P-C4' energy: -138.728 flat angles C4'-P-C4' energy: -103.958 flat angles P-C4'-P energy: -26.908 tors. eta vs tors. theta energy: -0.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2502.509606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.509606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.509606 (E_RNA) where: Base-Base interactions energy: -1688.889 where: short stacking energy: -705.063 Base-Backbone interact. energy: -1.572 local terms energy: -812.048333 where: bonds (distance) C4'-P energy: -155.583 bonds (distance) P-C4' energy: -188.117 flat angles C4'-P-C4' energy: -183.636 flat angles P-C4'-P energy: -110.050 tors. eta vs tors. theta energy: -174.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2416.263679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.263679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.263679 (E_RNA) where: Base-Base interactions energy: -1600.361 where: short stacking energy: -756.294 Base-Backbone interact. energy: -2.649 local terms energy: -813.254247 where: bonds (distance) C4'-P energy: -156.574 bonds (distance) P-C4' energy: -167.315 flat angles C4'-P-C4' energy: -185.025 flat angles P-C4'-P energy: -114.015 tors. eta vs tors. theta energy: -190.324 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: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2189.194890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.194890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.194890 (E_RNA) where: Base-Base interactions energy: -1384.777 where: short stacking energy: -730.659 Base-Backbone interact. energy: -1.786 local terms energy: -802.631671 where: bonds (distance) C4'-P energy: -152.194 bonds (distance) P-C4' energy: -169.122 flat angles C4'-P-C4' energy: -177.896 flat angles P-C4'-P energy: -114.182 tors. eta vs tors. theta energy: -189.238 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: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2047.878253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.878253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.878253 (E_RNA) where: Base-Base interactions energy: -1329.228 where: short stacking energy: -619.173 Base-Backbone interact. energy: 3.917 local terms energy: -722.567252 where: bonds (distance) C4'-P energy: -159.191 bonds (distance) P-C4' energy: -136.110 flat angles C4'-P-C4' energy: -164.804 flat angles P-C4'-P energy: -101.999 tors. eta vs tors. theta energy: -160.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1959.702367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.702367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.702367 (E_RNA) where: Base-Base interactions energy: -1270.099 where: short stacking energy: -581.735 Base-Backbone interact. energy: 0.133 local terms energy: -689.736644 where: bonds (distance) C4'-P energy: -121.043 bonds (distance) P-C4' energy: -146.976 flat angles C4'-P-C4' energy: -174.238 flat angles P-C4'-P energy: -99.481 tors. eta vs tors. theta energy: -147.998 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: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1807.234075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.234075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.234075 (E_RNA) where: Base-Base interactions energy: -1181.691 where: short stacking energy: -541.429 Base-Backbone interact. energy: -2.895 local terms energy: -622.647591 where: bonds (distance) C4'-P energy: -128.061 bonds (distance) P-C4' energy: -143.749 flat angles C4'-P-C4' energy: -137.317 flat angles P-C4'-P energy: -112.621 tors. eta vs tors. theta energy: -100.900 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: 4 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1801.217708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.217708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.217708 (E_RNA) where: Base-Base interactions energy: -1149.574 where: short stacking energy: -523.896 Base-Backbone interact. energy: 2.167 local terms energy: -653.810228 where: bonds (distance) C4'-P energy: -127.180 bonds (distance) P-C4' energy: -146.993 flat angles C4'-P-C4' energy: -154.955 flat angles P-C4'-P energy: -102.678 tors. eta vs tors. theta energy: -122.004 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: 34 Temperature: 1.250000 Total energy: -1396.000317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.000317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.000317 (E_RNA) where: Base-Base interactions energy: -864.759 where: short stacking energy: -419.005 Base-Backbone interact. energy: -0.995 local terms energy: -530.246729 where: bonds (distance) C4'-P energy: -130.865 bonds (distance) P-C4' energy: -138.097 flat angles C4'-P-C4' energy: -133.553 flat angles P-C4'-P energy: -68.313 tors. eta vs tors. theta energy: -59.419 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: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1186.721754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.721754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.721754 (E_RNA) where: Base-Base interactions energy: -688.613 where: short stacking energy: -352.181 Base-Backbone interact. energy: 0.001 local terms energy: -498.109677 where: bonds (distance) C4'-P energy: -125.466 bonds (distance) P-C4' energy: -149.308 flat angles C4'-P-C4' energy: -115.109 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -37.412 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: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -769.788728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.788728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.788728 (E_RNA) where: Base-Base interactions energy: -319.563 where: short stacking energy: -228.089 Base-Backbone interact. energy: 5.453 local terms energy: -455.678793 where: bonds (distance) C4'-P energy: -138.610 bonds (distance) P-C4' energy: -132.699 flat angles C4'-P-C4' energy: -116.487 flat angles P-C4'-P energy: -65.531 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2525.355084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.355084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.355084 (E_RNA) where: Base-Base interactions energy: -1702.087 where: short stacking energy: -735.012 Base-Backbone interact. energy: -2.416 local terms energy: -820.852559 where: bonds (distance) C4'-P energy: -155.726 bonds (distance) P-C4' energy: -179.212 flat angles C4'-P-C4' energy: -179.527 flat angles P-C4'-P energy: -113.030 tors. eta vs tors. theta energy: -193.358 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: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2400.978220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.978220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.978220 (E_RNA) where: Base-Base interactions energy: -1579.464 where: short stacking energy: -763.193 Base-Backbone interact. energy: -2.035 local terms energy: -819.479765 where: bonds (distance) C4'-P energy: -164.668 bonds (distance) P-C4' energy: -167.518 flat angles C4'-P-C4' energy: -178.913 flat angles P-C4'-P energy: -112.307 tors. eta vs tors. theta energy: -196.074 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: 35 Temperature: 1.000000 Total energy: -2088.684781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.684781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.684781 (E_RNA) where: Base-Base interactions energy: -1310.906 where: short stacking energy: -664.339 Base-Backbone interact. energy: 6.422 local terms energy: -784.200354 where: bonds (distance) C4'-P energy: -169.689 bonds (distance) P-C4' energy: -170.761 flat angles C4'-P-C4' energy: -176.245 flat angles P-C4'-P energy: -105.650 tors. eta vs tors. theta energy: -161.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2077.084214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.084214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.084214 (E_RNA) where: Base-Base interactions energy: -1342.981 where: short stacking energy: -631.155 Base-Backbone interact. energy: -0.224 local terms energy: -733.878992 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -144.889 flat angles C4'-P-C4' energy: -169.951 flat angles P-C4'-P energy: -118.883 tors. eta vs tors. theta energy: -147.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1945.300573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.300573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.300573 (E_RNA) where: Base-Base interactions energy: -1261.662 where: short stacking energy: -570.719 Base-Backbone interact. energy: -2.836 local terms energy: -680.803244 where: bonds (distance) C4'-P energy: -147.057 bonds (distance) P-C4' energy: -139.907 flat angles C4'-P-C4' energy: -155.177 flat angles P-C4'-P energy: -103.379 tors. eta vs tors. theta energy: -135.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1776.848558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.848558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.848558 (E_RNA) where: Base-Base interactions energy: -1140.931 where: short stacking energy: -543.090 Base-Backbone interact. energy: -1.494 local terms energy: -634.423035 where: bonds (distance) C4'-P energy: -128.088 bonds (distance) P-C4' energy: -149.057 flat angles C4'-P-C4' energy: -152.877 flat angles P-C4'-P energy: -115.204 tors. eta vs tors. theta energy: -89.196 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: 35 Temperature: 1.200000 Total energy: -1802.435872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.435872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.435872 (E_RNA) where: Base-Base interactions energy: -1146.261 where: short stacking energy: -519.980 Base-Backbone interact. energy: -2.150 local terms energy: -654.024973 where: bonds (distance) C4'-P energy: -143.353 bonds (distance) P-C4' energy: -152.776 flat angles C4'-P-C4' energy: -157.942 flat angles P-C4'-P energy: -78.706 tors. eta vs tors. theta energy: -121.249 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: 35 Temperature: 1.250000 Total energy: -1362.660986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.660986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.660986 (E_RNA) where: Base-Base interactions energy: -813.221 where: short stacking energy: -417.531 Base-Backbone interact. energy: 0.688 local terms energy: -550.127943 where: bonds (distance) C4'-P energy: -129.818 bonds (distance) P-C4' energy: -143.498 flat angles C4'-P-C4' energy: -134.990 flat angles P-C4'-P energy: -70.409 tors. eta vs tors. theta energy: -71.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1188.610591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.610591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.610591 (E_RNA) where: Base-Base interactions energy: -666.658 where: short stacking energy: -368.768 Base-Backbone interact. energy: -1.971 local terms energy: -519.981884 where: bonds (distance) C4'-P energy: -131.959 bonds (distance) P-C4' energy: -123.681 flat angles C4'-P-C4' energy: -132.869 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -48.985 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: 35 Temperature: 1.350000 Total energy: -760.931626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.931626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.931626 (E_RNA) where: Base-Base interactions energy: -358.687 where: short stacking energy: -242.773 Base-Backbone interact. energy: -2.356 local terms energy: -399.888523 where: bonds (distance) C4'-P energy: -124.803 bonds (distance) P-C4' energy: -138.815 flat angles C4'-P-C4' energy: -107.154 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: 11.384 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: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2518.324258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.324258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.324258 (E_RNA) where: Base-Base interactions energy: -1736.602 where: short stacking energy: -719.339 Base-Backbone interact. energy: -1.480 local terms energy: -780.241665 where: bonds (distance) C4'-P energy: -154.801 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -185.446 flat angles P-C4'-P energy: -109.480 tors. eta vs tors. theta energy: -179.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2430.507387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.507387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.507387 (E_RNA) where: Base-Base interactions energy: -1594.365 where: short stacking energy: -733.301 Base-Backbone interact. energy: -4.341 local terms energy: -831.801711 where: bonds (distance) C4'-P energy: -159.497 bonds (distance) P-C4' energy: -163.456 flat angles C4'-P-C4' energy: -182.215 flat angles P-C4'-P energy: -129.908 tors. eta vs tors. theta energy: -196.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2120.855121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.855121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.855121 (E_RNA) where: Base-Base interactions energy: -1355.185 where: short stacking energy: -679.779 Base-Backbone interact. energy: -2.167 local terms energy: -763.502560 where: bonds (distance) C4'-P energy: -164.639 bonds (distance) P-C4' energy: -165.658 flat angles C4'-P-C4' energy: -168.500 flat angles P-C4'-P energy: -103.682 tors. eta vs tors. theta energy: -161.023 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: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2111.560341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.560341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.560341 (E_RNA) where: Base-Base interactions energy: -1389.587 where: short stacking energy: -640.967 Base-Backbone interact. energy: -3.029 local terms energy: -718.944310 where: bonds (distance) C4'-P energy: -144.755 bonds (distance) P-C4' energy: -160.711 flat angles C4'-P-C4' energy: -175.781 flat angles P-C4'-P energy: -100.466 tors. eta vs tors. theta energy: -137.231 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: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1952.219644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.219644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.219644 (E_RNA) where: Base-Base interactions energy: -1298.753 where: short stacking energy: -598.707 Base-Backbone interact. energy: 1.226 local terms energy: -654.692427 where: bonds (distance) C4'-P energy: -141.651 bonds (distance) P-C4' energy: -143.096 flat angles C4'-P-C4' energy: -153.789 flat angles P-C4'-P energy: -83.348 tors. eta vs tors. theta energy: -132.808 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1745.774725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.774725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.774725 (E_RNA) where: Base-Base interactions energy: -1128.218 where: short stacking energy: -508.528 Base-Backbone interact. energy: 0.108 local terms energy: -617.664868 where: bonds (distance) C4'-P energy: -146.695 bonds (distance) P-C4' energy: -153.699 flat angles C4'-P-C4' energy: -131.352 flat angles P-C4'-P energy: -86.522 tors. eta vs tors. theta energy: -99.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1806.355459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.355459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.355459 (E_RNA) where: Base-Base interactions energy: -1187.320 where: short stacking energy: -536.968 Base-Backbone interact. energy: 0.249 local terms energy: -619.284938 where: bonds (distance) C4'-P energy: -151.110 bonds (distance) P-C4' energy: -157.930 flat angles C4'-P-C4' energy: -125.736 flat angles P-C4'-P energy: -81.090 tors. eta vs tors. theta energy: -103.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1275.208188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.208188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.208188 (E_RNA) where: Base-Base interactions energy: -727.810 where: short stacking energy: -379.032 Base-Backbone interact. energy: -3.487 local terms energy: -543.911901 where: bonds (distance) C4'-P energy: -138.675 bonds (distance) P-C4' energy: -143.535 flat angles C4'-P-C4' energy: -140.466 flat angles P-C4'-P energy: -96.766 tors. eta vs tors. theta energy: -24.472 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: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1239.782339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.782339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.782339 (E_RNA) where: Base-Base interactions energy: -661.164 where: short stacking energy: -366.131 Base-Backbone interact. energy: -4.895 local terms energy: -573.723439 where: bonds (distance) C4'-P energy: -138.257 bonds (distance) P-C4' energy: -151.520 flat angles C4'-P-C4' energy: -159.526 flat angles P-C4'-P energy: -75.966 tors. eta vs tors. theta energy: -48.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -797.376822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.376822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.376822 (E_RNA) where: Base-Base interactions energy: -348.659 where: short stacking energy: -230.398 Base-Backbone interact. energy: -1.242 local terms energy: -447.475146 where: bonds (distance) C4'-P energy: -133.572 bonds (distance) P-C4' energy: -147.514 flat angles C4'-P-C4' energy: -107.945 flat angles P-C4'-P energy: -60.957 tors. eta vs tors. theta energy: 2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2546.402297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.402297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.402297 (E_RNA) where: Base-Base interactions energy: -1744.889 where: short stacking energy: -753.479 Base-Backbone interact. energy: 1.387 local terms energy: -802.899983 where: bonds (distance) C4'-P energy: -162.253 bonds (distance) P-C4' energy: -180.512 flat angles C4'-P-C4' energy: -173.102 flat angles P-C4'-P energy: -110.551 tors. eta vs tors. theta energy: -176.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2398.687297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.687297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.687297 (E_RNA) where: Base-Base interactions energy: -1615.378 where: short stacking energy: -737.981 Base-Backbone interact. energy: -4.552 local terms energy: -778.757637 where: bonds (distance) C4'-P energy: -142.240 bonds (distance) P-C4' energy: -164.543 flat angles C4'-P-C4' energy: -165.240 flat angles P-C4'-P energy: -119.832 tors. eta vs tors. theta energy: -186.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2190.439488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.439488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.439488 (E_RNA) where: Base-Base interactions energy: -1430.174 where: short stacking energy: -731.188 Base-Backbone interact. energy: -2.035 local terms energy: -758.230827 where: bonds (distance) C4'-P energy: -155.944 bonds (distance) P-C4' energy: -149.056 flat angles C4'-P-C4' energy: -171.848 flat angles P-C4'-P energy: -104.930 tors. eta vs tors. theta energy: -176.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2104.039760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.039760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.039760 (E_RNA) where: Base-Base interactions energy: -1380.201 where: short stacking energy: -623.404 Base-Backbone interact. energy: -3.917 local terms energy: -719.921711 where: bonds (distance) C4'-P energy: -168.464 bonds (distance) P-C4' energy: -155.918 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -99.138 tors. eta vs tors. theta energy: -145.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2004.260630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.260630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.260630 (E_RNA) where: Base-Base interactions energy: -1285.610 where: short stacking energy: -626.969 Base-Backbone interact. energy: -3.555 local terms energy: -715.095746 where: bonds (distance) C4'-P energy: -143.759 bonds (distance) P-C4' energy: -143.481 flat angles C4'-P-C4' energy: -156.260 flat angles P-C4'-P energy: -100.494 tors. eta vs tors. theta energy: -171.102 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: 37 Temperature: 1.150000 Total energy: -1814.697208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.697208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.697208 (E_RNA) where: Base-Base interactions energy: -1168.054 where: short stacking energy: -548.850 Base-Backbone interact. energy: -0.688 local terms energy: -645.955355 where: bonds (distance) C4'-P energy: -140.938 bonds (distance) P-C4' energy: -146.494 flat angles C4'-P-C4' energy: -154.230 flat angles P-C4'-P energy: -95.413 tors. eta vs tors. theta energy: -108.881 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: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1711.717696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.717696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.717696 (E_RNA) where: Base-Base interactions energy: -1102.723 where: short stacking energy: -512.724 Base-Backbone interact. energy: 1.543 local terms energy: -610.536965 where: bonds (distance) C4'-P energy: -129.884 bonds (distance) P-C4' energy: -151.286 flat angles C4'-P-C4' energy: -151.152 flat angles P-C4'-P energy: -84.087 tors. eta vs tors. theta energy: -94.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1375.854742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.854742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.854742 (E_RNA) where: Base-Base interactions energy: -808.341 where: short stacking energy: -391.865 Base-Backbone interact. energy: 1.646 local terms energy: -569.160389 where: bonds (distance) C4'-P energy: -141.977 bonds (distance) P-C4' energy: -143.221 flat angles C4'-P-C4' energy: -145.685 flat angles P-C4'-P energy: -73.503 tors. eta vs tors. theta energy: -64.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1180.609692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.609692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.609692 (E_RNA) where: Base-Base interactions energy: -652.751 where: short stacking energy: -353.895 Base-Backbone interact. energy: -3.804 local terms energy: -524.054243 where: bonds (distance) C4'-P energy: -137.990 bonds (distance) P-C4' energy: -149.118 flat angles C4'-P-C4' energy: -134.497 flat angles P-C4'-P energy: -69.371 tors. eta vs tors. theta energy: -33.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -745.807320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.807320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.807320 (E_RNA) where: Base-Base interactions energy: -345.976 where: short stacking energy: -223.697 Base-Backbone interact. energy: 6.086 local terms energy: -405.917526 where: bonds (distance) C4'-P energy: -129.492 bonds (distance) P-C4' energy: -148.524 flat angles C4'-P-C4' energy: -108.118 flat angles P-C4'-P energy: -50.572 tors. eta vs tors. theta energy: 30.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2565.718884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.718884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.718884 (E_RNA) where: Base-Base interactions energy: -1784.043 where: short stacking energy: -772.258 Base-Backbone interact. energy: -4.368 local terms energy: -777.307512 where: bonds (distance) C4'-P energy: -149.218 bonds (distance) P-C4' energy: -159.139 flat angles C4'-P-C4' energy: -173.157 flat angles P-C4'-P energy: -121.354 tors. eta vs tors. theta energy: -174.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2437.678902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.678902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.678902 (E_RNA) where: Base-Base interactions energy: -1617.894 where: short stacking energy: -753.002 Base-Backbone interact. energy: -2.697 local terms energy: -817.088258 where: bonds (distance) C4'-P energy: -167.853 bonds (distance) P-C4' energy: -152.883 flat angles C4'-P-C4' energy: -176.790 flat angles P-C4'-P energy: -114.770 tors. eta vs tors. theta energy: -204.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2152.726394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.726394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.726394 (E_RNA) where: Base-Base interactions energy: -1404.761 where: short stacking energy: -680.339 Base-Backbone interact. energy: 1.556 local terms energy: -749.521564 where: bonds (distance) C4'-P energy: -146.801 bonds (distance) P-C4' energy: -160.994 flat angles C4'-P-C4' energy: -163.394 flat angles P-C4'-P energy: -97.517 tors. eta vs tors. theta energy: -180.815 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: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2104.243868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.243868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.243868 (E_RNA) where: Base-Base interactions energy: -1357.316 where: short stacking energy: -624.519 Base-Backbone interact. energy: -4.919 local terms energy: -742.009465 where: bonds (distance) C4'-P energy: -150.420 bonds (distance) P-C4' energy: -154.472 flat angles C4'-P-C4' energy: -167.189 flat angles P-C4'-P energy: -104.224 tors. eta vs tors. theta energy: -165.704 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: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2010.223907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.223907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.223907 (E_RNA) where: Base-Base interactions energy: -1340.952 where: short stacking energy: -606.750 Base-Backbone interact. energy: -6.997 local terms energy: -662.274257 where: bonds (distance) C4'-P energy: -138.097 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -155.126 flat angles P-C4'-P energy: -90.480 tors. eta vs tors. theta energy: -133.931 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: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1879.320018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.320018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.320018 (E_RNA) where: Base-Base interactions energy: -1224.196 where: short stacking energy: -559.721 Base-Backbone interact. energy: -0.420 local terms energy: -654.704368 where: bonds (distance) C4'-P energy: -146.904 bonds (distance) P-C4' energy: -139.032 flat angles C4'-P-C4' energy: -154.407 flat angles P-C4'-P energy: -99.915 tors. eta vs tors. theta energy: -114.447 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: 38 Temperature: 1.200000 Total energy: -1705.671529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.671529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.671529 (E_RNA) where: Base-Base interactions energy: -1116.720 where: short stacking energy: -540.402 Base-Backbone interact. energy: -1.006 local terms energy: -587.945133 where: bonds (distance) C4'-P energy: -125.679 bonds (distance) P-C4' energy: -137.942 flat angles C4'-P-C4' energy: -144.202 flat angles P-C4'-P energy: -75.077 tors. eta vs tors. theta energy: -105.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1397.165394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.165394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.165394 (E_RNA) where: Base-Base interactions energy: -833.809 where: short stacking energy: -437.371 Base-Backbone interact. energy: 3.694 local terms energy: -567.049516 where: bonds (distance) C4'-P energy: -147.931 bonds (distance) P-C4' energy: -135.262 flat angles C4'-P-C4' energy: -115.229 flat angles P-C4'-P energy: -93.064 tors. eta vs tors. theta energy: -75.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1196.654408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.654408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.654408 (E_RNA) where: Base-Base interactions energy: -656.539 where: short stacking energy: -339.595 Base-Backbone interact. energy: -2.037 local terms energy: -538.078042 where: bonds (distance) C4'-P energy: -143.839 bonds (distance) P-C4' energy: -128.341 flat angles C4'-P-C4' energy: -140.594 flat angles P-C4'-P energy: -82.823 tors. eta vs tors. theta energy: -42.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -742.500202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.500202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.500202 (E_RNA) where: Base-Base interactions energy: -323.085 where: short stacking energy: -216.138 Base-Backbone interact. energy: 3.622 local terms energy: -423.037062 where: bonds (distance) C4'-P energy: -118.819 bonds (distance) P-C4' energy: -142.161 flat angles C4'-P-C4' energy: -114.941 flat angles P-C4'-P energy: -69.794 tors. eta vs tors. theta energy: 22.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2568.876827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.876827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.876827 (E_RNA) where: Base-Base interactions energy: -1779.708 where: short stacking energy: -763.130 Base-Backbone interact. energy: -3.728 local terms energy: -785.440314 where: bonds (distance) C4'-P energy: -143.307 bonds (distance) P-C4' energy: -165.355 flat angles C4'-P-C4' energy: -183.531 flat angles P-C4'-P energy: -115.312 tors. eta vs tors. theta energy: -177.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2446.682904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.682904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.682904 (E_RNA) where: Base-Base interactions energy: -1640.296 where: short stacking energy: -756.689 Base-Backbone interact. energy: -2.747 local terms energy: -803.639481 where: bonds (distance) C4'-P energy: -155.169 bonds (distance) P-C4' energy: -154.412 flat angles C4'-P-C4' energy: -177.371 flat angles P-C4'-P energy: -107.361 tors. eta vs tors. theta energy: -209.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2199.267301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.267301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.267301 (E_RNA) where: Base-Base interactions energy: -1406.339 where: short stacking energy: -725.184 Base-Backbone interact. energy: -1.382 local terms energy: -791.547001 where: bonds (distance) C4'-P energy: -157.919 bonds (distance) P-C4' energy: -169.311 flat angles C4'-P-C4' energy: -173.793 flat angles P-C4'-P energy: -112.916 tors. eta vs tors. theta energy: -177.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2145.406544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.406544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.406544 (E_RNA) where: Base-Base interactions energy: -1390.947 where: short stacking energy: -648.605 Base-Backbone interact. energy: -6.266 local terms energy: -748.193666 where: bonds (distance) C4'-P energy: -159.607 bonds (distance) P-C4' energy: -163.838 flat angles C4'-P-C4' energy: -172.290 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -150.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2043.576515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.576515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.576515 (E_RNA) where: Base-Base interactions energy: -1324.888 where: short stacking energy: -643.921 Base-Backbone interact. energy: -3.385 local terms energy: -715.302685 where: bonds (distance) C4'-P energy: -126.020 bonds (distance) P-C4' energy: -162.301 flat angles C4'-P-C4' energy: -156.041 flat angles P-C4'-P energy: -107.997 tors. eta vs tors. theta energy: -162.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1948.749701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.749701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.749701 (E_RNA) where: Base-Base interactions energy: -1278.417 where: short stacking energy: -587.045 Base-Backbone interact. energy: 0.044 local terms energy: -670.376918 where: bonds (distance) C4'-P energy: -152.105 bonds (distance) P-C4' energy: -140.849 flat angles C4'-P-C4' energy: -144.877 flat angles P-C4'-P energy: -101.115 tors. eta vs tors. theta energy: -131.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1734.644380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.644380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.644380 (E_RNA) where: Base-Base interactions energy: -1102.562 where: short stacking energy: -533.551 Base-Backbone interact. energy: 3.828 local terms energy: -635.909864 where: bonds (distance) C4'-P energy: -131.716 bonds (distance) P-C4' energy: -155.401 flat angles C4'-P-C4' energy: -150.189 flat angles P-C4'-P energy: -96.520 tors. eta vs tors. theta energy: -102.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1436.235821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.235821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.235821 (E_RNA) where: Base-Base interactions energy: -863.203 where: short stacking energy: -447.564 Base-Backbone interact. energy: 0.845 local terms energy: -573.878244 where: bonds (distance) C4'-P energy: -125.786 bonds (distance) P-C4' energy: -140.392 flat angles C4'-P-C4' energy: -129.675 flat angles P-C4'-P energy: -86.616 tors. eta vs tors. theta energy: -91.408 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: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1158.713054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.713054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.713054 (E_RNA) where: Base-Base interactions energy: -682.243 where: short stacking energy: -348.056 Base-Backbone interact. energy: -2.344 local terms energy: -474.126776 where: bonds (distance) C4'-P energy: -132.981 bonds (distance) P-C4' energy: -135.692 flat angles C4'-P-C4' energy: -108.371 flat angles P-C4'-P energy: -68.764 tors. eta vs tors. theta energy: -28.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -768.126544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.126544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.126544 (E_RNA) where: Base-Base interactions energy: -349.308 where: short stacking energy: -227.736 Base-Backbone interact. energy: 0.905 local terms energy: -419.723428 where: bonds (distance) C4'-P energy: -128.517 bonds (distance) P-C4' energy: -122.993 flat angles C4'-P-C4' energy: -100.880 flat angles P-C4'-P energy: -64.081 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2564.481836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.481836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.481836 (E_RNA) where: Base-Base interactions energy: -1783.652 where: short stacking energy: -721.888 Base-Backbone interact. energy: -5.215 local terms energy: -775.614859 where: bonds (distance) C4'-P energy: -166.545 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -168.060 flat angles P-C4'-P energy: -112.367 tors. eta vs tors. theta energy: -173.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2410.193983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.193983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.193983 (E_RNA) where: Base-Base interactions energy: -1590.433 where: short stacking energy: -765.371 Base-Backbone interact. energy: -5.858 local terms energy: -813.903601 where: bonds (distance) C4'-P energy: -164.265 bonds (distance) P-C4' energy: -156.422 flat angles C4'-P-C4' energy: -168.308 flat angles P-C4'-P energy: -110.195 tors. eta vs tors. theta energy: -214.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2174.442282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.442282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.442282 (E_RNA) where: Base-Base interactions energy: -1418.326 where: short stacking energy: -705.123 Base-Backbone interact. energy: 3.447 local terms energy: -759.563538 where: bonds (distance) C4'-P energy: -144.386 bonds (distance) P-C4' energy: -157.010 flat angles C4'-P-C4' energy: -158.765 flat angles P-C4'-P energy: -120.905 tors. eta vs tors. theta energy: -178.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2083.098950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.098950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.098950 (E_RNA) where: Base-Base interactions energy: -1352.249 where: short stacking energy: -630.556 Base-Backbone interact. energy: 3.133 local terms energy: -733.982836 where: bonds (distance) C4'-P energy: -159.232 bonds (distance) P-C4' energy: -172.095 flat angles C4'-P-C4' energy: -165.250 flat angles P-C4'-P energy: -97.887 tors. eta vs tors. theta energy: -139.519 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: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2015.589412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.589412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.589412 (E_RNA) where: Base-Base interactions energy: -1307.290 where: short stacking energy: -632.039 Base-Backbone interact. energy: -2.696 local terms energy: -705.603242 where: bonds (distance) C4'-P energy: -147.415 bonds (distance) P-C4' energy: -151.794 flat angles C4'-P-C4' energy: -162.362 flat angles P-C4'-P energy: -95.493 tors. eta vs tors. theta energy: -148.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1944.916070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.916070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.916070 (E_RNA) where: Base-Base interactions energy: -1296.018 where: short stacking energy: -573.388 Base-Backbone interact. energy: -2.761 local terms energy: -646.136998 where: bonds (distance) C4'-P energy: -134.992 bonds (distance) P-C4' energy: -139.719 flat angles C4'-P-C4' energy: -153.866 flat angles P-C4'-P energy: -83.039 tors. eta vs tors. theta energy: -134.520 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: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1746.856375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.856375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.856375 (E_RNA) where: Base-Base interactions energy: -1133.939 where: short stacking energy: -523.444 Base-Backbone interact. energy: 2.174 local terms energy: -615.090943 where: bonds (distance) C4'-P energy: -131.268 bonds (distance) P-C4' energy: -131.378 flat angles C4'-P-C4' energy: -152.916 flat angles P-C4'-P energy: -89.170 tors. eta vs tors. theta energy: -110.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1496.939384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.939384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.939384 (E_RNA) where: Base-Base interactions energy: -944.652 where: short stacking energy: -423.003 Base-Backbone interact. energy: -0.213 local terms energy: -552.074466 where: bonds (distance) C4'-P energy: -132.640 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -107.152 flat angles P-C4'-P energy: -93.564 tors. eta vs tors. theta energy: -67.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1166.925276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.925276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.925276 (E_RNA) where: Base-Base interactions energy: -660.050 where: short stacking energy: -347.616 Base-Backbone interact. energy: 2.570 local terms energy: -509.445541 where: bonds (distance) C4'-P energy: -155.031 bonds (distance) P-C4' energy: -142.332 flat angles C4'-P-C4' energy: -125.907 flat angles P-C4'-P energy: -63.163 tors. eta vs tors. theta energy: -23.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -808.443402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.443402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.443402 (E_RNA) where: Base-Base interactions energy: -374.691 where: short stacking energy: -220.264 Base-Backbone interact. energy: -3.994 local terms energy: -429.759137 where: bonds (distance) C4'-P energy: -112.126 bonds (distance) P-C4' energy: -130.546 flat angles C4'-P-C4' energy: -127.979 flat angles P-C4'-P energy: -84.287 tors. eta vs tors. theta energy: 25.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2545.050571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.050571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.050571 (E_RNA) where: Base-Base interactions energy: -1732.437 where: short stacking energy: -716.088 Base-Backbone interact. energy: -3.846 local terms energy: -808.767688 where: bonds (distance) C4'-P energy: -163.076 bonds (distance) P-C4' energy: -172.126 flat angles C4'-P-C4' energy: -168.670 flat angles P-C4'-P energy: -122.990 tors. eta vs tors. theta energy: -181.906 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: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2425.159233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.159233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.159233 (E_RNA) where: Base-Base interactions energy: -1596.519 where: short stacking energy: -776.610 Base-Backbone interact. energy: -2.533 local terms energy: -826.106833 where: bonds (distance) C4'-P energy: -171.630 bonds (distance) P-C4' energy: -151.836 flat angles C4'-P-C4' energy: -185.475 flat angles P-C4'-P energy: -106.479 tors. eta vs tors. theta energy: -210.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2228.779950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.779950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.779950 (E_RNA) where: Base-Base interactions energy: -1428.700 where: short stacking energy: -734.488 Base-Backbone interact. energy: 0.383 local terms energy: -800.462624 where: bonds (distance) C4'-P energy: -159.819 bonds (distance) P-C4' energy: -170.680 flat angles C4'-P-C4' energy: -174.704 flat angles P-C4'-P energy: -105.230 tors. eta vs tors. theta energy: -190.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2163.103304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.103304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.103304 (E_RNA) where: Base-Base interactions energy: -1420.215 where: short stacking energy: -659.476 Base-Backbone interact. energy: -3.011 local terms energy: -739.876817 where: bonds (distance) C4'-P energy: -152.829 bonds (distance) P-C4' energy: -146.547 flat angles C4'-P-C4' energy: -166.491 flat angles P-C4'-P energy: -116.579 tors. eta vs tors. theta energy: -157.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1958.895970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.895970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.895970 (E_RNA) where: Base-Base interactions energy: -1279.761 where: short stacking energy: -590.968 Base-Backbone interact. energy: -0.397 local terms energy: -678.738655 where: bonds (distance) C4'-P energy: -140.305 bonds (distance) P-C4' energy: -146.947 flat angles C4'-P-C4' energy: -164.168 flat angles P-C4'-P energy: -97.429 tors. eta vs tors. theta energy: -129.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1856.577112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.577112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.577112 (E_RNA) where: Base-Base interactions energy: -1222.470 where: short stacking energy: -592.433 Base-Backbone interact. energy: -0.438 local terms energy: -633.669062 where: bonds (distance) C4'-P energy: -130.151 bonds (distance) P-C4' energy: -151.804 flat angles C4'-P-C4' energy: -144.112 flat angles P-C4'-P energy: -84.805 tors. eta vs tors. theta energy: -122.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1720.086454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.086454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.086454 (E_RNA) where: Base-Base interactions energy: -1068.315 where: short stacking energy: -511.713 Base-Backbone interact. energy: 0.270 local terms energy: -652.042163 where: bonds (distance) C4'-P energy: -145.979 bonds (distance) P-C4' energy: -152.406 flat angles C4'-P-C4' energy: -151.288 flat angles P-C4'-P energy: -92.919 tors. eta vs tors. theta energy: -109.451 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: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1525.987281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.987281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.987281 (E_RNA) where: Base-Base interactions energy: -944.011 where: short stacking energy: -450.546 Base-Backbone interact. energy: -1.412 local terms energy: -580.564446 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -150.317 flat angles C4'-P-C4' energy: -134.806 flat angles P-C4'-P energy: -85.967 tors. eta vs tors. theta energy: -79.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1188.967524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.967524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.967524 (E_RNA) where: Base-Base interactions energy: -675.429 where: short stacking energy: -363.815 Base-Backbone interact. energy: 3.840 local terms energy: -517.379133 where: bonds (distance) C4'-P energy: -123.543 bonds (distance) P-C4' energy: -151.504 flat angles C4'-P-C4' energy: -122.275 flat angles P-C4'-P energy: -82.543 tors. eta vs tors. theta energy: -37.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -804.112493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.112493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.112493 (E_RNA) where: Base-Base interactions energy: -353.138 where: short stacking energy: -225.145 Base-Backbone interact. energy: 2.057 local terms energy: -453.031556 where: bonds (distance) C4'-P energy: -104.483 bonds (distance) P-C4' energy: -152.506 flat angles C4'-P-C4' energy: -112.728 flat angles P-C4'-P energy: -96.384 tors. eta vs tors. theta energy: 13.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2616.234099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.234099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.234099 (E_RNA) where: Base-Base interactions energy: -1791.290 where: short stacking energy: -763.385 Base-Backbone interact. energy: -3.454 local terms energy: -821.490713 where: bonds (distance) C4'-P energy: -146.687 bonds (distance) P-C4' energy: -184.354 flat angles C4'-P-C4' energy: -184.698 flat angles P-C4'-P energy: -120.718 tors. eta vs tors. theta energy: -185.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2451.538139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.538139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.538139 (E_RNA) where: Base-Base interactions energy: -1617.289 where: short stacking energy: -789.058 Base-Backbone interact. energy: -1.453 local terms energy: -832.795782 where: bonds (distance) C4'-P energy: -163.358 bonds (distance) P-C4' energy: -164.505 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -112.548 tors. eta vs tors. theta energy: -216.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2241.261391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.261391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.261391 (E_RNA) where: Base-Base interactions energy: -1442.872 where: short stacking energy: -690.959 Base-Backbone interact. energy: 2.103 local terms energy: -800.492439 where: bonds (distance) C4'-P energy: -160.849 bonds (distance) P-C4' energy: -172.459 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -111.494 tors. eta vs tors. theta energy: -176.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2178.725558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.725558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.725558 (E_RNA) where: Base-Base interactions energy: -1427.439 where: short stacking energy: -670.979 Base-Backbone interact. energy: -1.690 local terms energy: -749.596986 where: bonds (distance) C4'-P energy: -146.776 bonds (distance) P-C4' energy: -155.073 flat angles C4'-P-C4' energy: -155.093 flat angles P-C4'-P energy: -119.836 tors. eta vs tors. theta energy: -172.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2022.403110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.403110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.403110 (E_RNA) where: Base-Base interactions energy: -1317.060 where: short stacking energy: -616.287 Base-Backbone interact. energy: 4.359 local terms energy: -709.702097 where: bonds (distance) C4'-P energy: -150.388 bonds (distance) P-C4' energy: -154.402 flat angles C4'-P-C4' energy: -157.885 flat angles P-C4'-P energy: -92.974 tors. eta vs tors. theta energy: -154.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1891.721298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.721298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.721298 (E_RNA) where: Base-Base interactions energy: -1240.099 where: short stacking energy: -532.664 Base-Backbone interact. energy: -0.480 local terms energy: -651.142850 where: bonds (distance) C4'-P energy: -122.456 bonds (distance) P-C4' energy: -158.472 flat angles C4'-P-C4' energy: -163.092 flat angles P-C4'-P energy: -91.400 tors. eta vs tors. theta energy: -115.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1746.982743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.982743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.982743 (E_RNA) where: Base-Base interactions energy: -1095.394 where: short stacking energy: -503.493 Base-Backbone interact. energy: -0.963 local terms energy: -650.626153 where: bonds (distance) C4'-P energy: -137.630 bonds (distance) P-C4' energy: -150.229 flat angles C4'-P-C4' energy: -145.102 flat angles P-C4'-P energy: -104.324 tors. eta vs tors. theta energy: -113.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1599.826455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.826455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.826455 (E_RNA) where: Base-Base interactions energy: -1002.211 where: short stacking energy: -464.900 Base-Backbone interact. energy: -1.535 local terms energy: -596.080621 where: bonds (distance) C4'-P energy: -143.338 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -152.596 flat angles P-C4'-P energy: -84.862 tors. eta vs tors. theta energy: -78.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1113.416095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.416095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.416095 (E_RNA) where: Base-Base interactions energy: -594.579 where: short stacking energy: -301.738 Base-Backbone interact. energy: -3.708 local terms energy: -515.129440 where: bonds (distance) C4'-P energy: -134.606 bonds (distance) P-C4' energy: -152.520 flat angles C4'-P-C4' energy: -138.158 flat angles P-C4'-P energy: -75.776 tors. eta vs tors. theta energy: -14.070 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: 42 Temperature: 1.350000 Total energy: -836.518238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.518238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.518238 (E_RNA) where: Base-Base interactions energy: -438.350 where: short stacking energy: -251.448 Base-Backbone interact. energy: -2.273 local terms energy: -395.895360 where: bonds (distance) C4'-P energy: -121.259 bonds (distance) P-C4' energy: -137.534 flat angles C4'-P-C4' energy: -80.550 flat angles P-C4'-P energy: -56.166 tors. eta vs tors. theta energy: -0.386 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: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2617.217019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.217019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.217019 (E_RNA) where: Base-Base interactions energy: -1799.258 where: short stacking energy: -752.217 Base-Backbone interact. energy: -5.832 local terms energy: -812.127390 where: bonds (distance) C4'-P energy: -164.813 bonds (distance) P-C4' energy: -161.512 flat angles C4'-P-C4' energy: -191.721 flat angles P-C4'-P energy: -113.740 tors. eta vs tors. theta energy: -180.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2450.748515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.748515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.748515 (E_RNA) where: Base-Base interactions energy: -1618.328 where: short stacking energy: -763.681 Base-Backbone interact. energy: -1.923 local terms energy: -830.498084 where: bonds (distance) C4'-P energy: -162.513 bonds (distance) P-C4' energy: -160.643 flat angles C4'-P-C4' energy: -186.431 flat angles P-C4'-P energy: -119.293 tors. eta vs tors. theta energy: -201.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2234.365833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.365833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.365833 (E_RNA) where: Base-Base interactions energy: -1448.663 where: short stacking energy: -704.775 Base-Backbone interact. energy: -1.344 local terms energy: -784.359518 where: bonds (distance) C4'-P energy: -149.222 bonds (distance) P-C4' energy: -158.751 flat angles C4'-P-C4' energy: -166.199 flat angles P-C4'-P energy: -124.804 tors. eta vs tors. theta energy: -185.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2199.130250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.130250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.130250 (E_RNA) where: Base-Base interactions energy: -1433.721 where: short stacking energy: -686.682 Base-Backbone interact. energy: -0.315 local terms energy: -765.094010 where: bonds (distance) C4'-P energy: -156.399 bonds (distance) P-C4' energy: -150.539 flat angles C4'-P-C4' energy: -172.608 flat angles P-C4'-P energy: -103.662 tors. eta vs tors. theta energy: -181.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1999.137688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.137688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.137688 (E_RNA) where: Base-Base interactions energy: -1292.891 where: short stacking energy: -632.994 Base-Backbone interact. energy: -2.104 local terms energy: -704.142316 where: bonds (distance) C4'-P energy: -129.894 bonds (distance) P-C4' energy: -163.816 flat angles C4'-P-C4' energy: -159.657 flat angles P-C4'-P energy: -93.586 tors. eta vs tors. theta energy: -157.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2003.175399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.175399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.175399 (E_RNA) where: Base-Base interactions energy: -1333.264 where: short stacking energy: -579.513 Base-Backbone interact. energy: 3.943 local terms energy: -673.854777 where: bonds (distance) C4'-P energy: -157.888 bonds (distance) P-C4' energy: -140.380 flat angles C4'-P-C4' energy: -152.179 flat angles P-C4'-P energy: -89.893 tors. eta vs tors. theta energy: -133.514 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: 43 Temperature: 1.200000 Total energy: -1728.901640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.901640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.901640 (E_RNA) where: Base-Base interactions energy: -1148.516 where: short stacking energy: -490.931 Base-Backbone interact. energy: -1.392 local terms energy: -578.993622 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -124.545 flat angles C4'-P-C4' energy: -131.640 flat angles P-C4'-P energy: -97.579 tors. eta vs tors. theta energy: -96.514 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: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1546.194070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.194070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.194070 (E_RNA) where: Base-Base interactions energy: -932.086 where: short stacking energy: -442.780 Base-Backbone interact. energy: 2.132 local terms energy: -616.240321 where: bonds (distance) C4'-P energy: -142.423 bonds (distance) P-C4' energy: -138.687 flat angles C4'-P-C4' energy: -129.760 flat angles P-C4'-P energy: -100.898 tors. eta vs tors. theta energy: -104.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1129.690287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.690287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.690287 (E_RNA) where: Base-Base interactions energy: -647.588 where: short stacking energy: -380.442 Base-Backbone interact. energy: 0.902 local terms energy: -483.004283 where: bonds (distance) C4'-P energy: -137.926 bonds (distance) P-C4' energy: -129.633 flat angles C4'-P-C4' energy: -106.672 flat angles P-C4'-P energy: -63.773 tors. eta vs tors. theta energy: -45.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -901.061502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.061502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.061502 (E_RNA) where: Base-Base interactions energy: -468.997 where: short stacking energy: -286.171 Base-Backbone interact. energy: -1.739 local terms energy: -430.324940 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -137.132 flat angles C4'-P-C4' energy: -112.317 flat angles P-C4'-P energy: -49.370 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2624.681825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.681825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.681825 (E_RNA) where: Base-Base interactions energy: -1796.695 where: short stacking energy: -782.213 Base-Backbone interact. energy: -3.648 local terms energy: -824.338622 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -182.919 flat angles P-C4'-P energy: -125.580 tors. eta vs tors. theta energy: -199.632 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: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2416.256420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.256420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.256420 (E_RNA) where: Base-Base interactions energy: -1606.484 where: short stacking energy: -776.715 Base-Backbone interact. energy: -2.441 local terms energy: -807.331316 where: bonds (distance) C4'-P energy: -140.782 bonds (distance) P-C4' energy: -156.918 flat angles C4'-P-C4' energy: -188.154 flat angles P-C4'-P energy: -119.287 tors. eta vs tors. theta energy: -202.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2294.177165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.177165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.177165 (E_RNA) where: Base-Base interactions energy: -1512.619 where: short stacking energy: -756.580 Base-Backbone interact. energy: 2.948 local terms energy: -784.506754 where: bonds (distance) C4'-P energy: -141.560 bonds (distance) P-C4' energy: -165.882 flat angles C4'-P-C4' energy: -177.529 flat angles P-C4'-P energy: -106.025 tors. eta vs tors. theta energy: -193.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2162.169876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.169876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.169876 (E_RNA) where: Base-Base interactions energy: -1426.503 where: short stacking energy: -653.984 Base-Backbone interact. energy: 0.327 local terms energy: -735.993578 where: bonds (distance) C4'-P energy: -155.106 bonds (distance) P-C4' energy: -150.372 flat angles C4'-P-C4' energy: -165.004 flat angles P-C4'-P energy: -106.021 tors. eta vs tors. theta energy: -159.490 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: 44 Temperature: 1.100000 Total energy: -2027.820085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.820085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.820085 (E_RNA) where: Base-Base interactions energy: -1350.228 where: short stacking energy: -583.421 Base-Backbone interact. energy: 6.391 local terms energy: -683.982658 where: bonds (distance) C4'-P energy: -151.161 bonds (distance) P-C4' energy: -161.037 flat angles C4'-P-C4' energy: -164.629 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -134.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1940.592073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.592073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.592073 (E_RNA) where: Base-Base interactions energy: -1256.294 where: short stacking energy: -592.586 Base-Backbone interact. energy: -2.529 local terms energy: -681.768637 where: bonds (distance) C4'-P energy: -155.379 bonds (distance) P-C4' energy: -154.106 flat angles C4'-P-C4' energy: -151.184 flat angles P-C4'-P energy: -80.759 tors. eta vs tors. theta energy: -140.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1763.475914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.475914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.475914 (E_RNA) where: Base-Base interactions energy: -1130.887 where: short stacking energy: -516.546 Base-Backbone interact. energy: -1.339 local terms energy: -631.249610 where: bonds (distance) C4'-P energy: -143.625 bonds (distance) P-C4' energy: -143.949 flat angles C4'-P-C4' energy: -152.158 flat angles P-C4'-P energy: -93.595 tors. eta vs tors. theta energy: -97.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1488.154313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.154313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.154313 (E_RNA) where: Base-Base interactions energy: -924.186 where: short stacking energy: -453.544 Base-Backbone interact. energy: 0.885 local terms energy: -564.853593 where: bonds (distance) C4'-P energy: -131.177 bonds (distance) P-C4' energy: -138.127 flat angles C4'-P-C4' energy: -120.431 flat angles P-C4'-P energy: -94.870 tors. eta vs tors. theta energy: -80.248 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: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1048.639923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.639923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.639923 (E_RNA) where: Base-Base interactions energy: -585.052 where: short stacking energy: -303.365 Base-Backbone interact. energy: -2.173 local terms energy: -461.414990 where: bonds (distance) C4'-P energy: -123.731 bonds (distance) P-C4' energy: -133.781 flat angles C4'-P-C4' energy: -129.580 flat angles P-C4'-P energy: -57.531 tors. eta vs tors. theta energy: -16.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -843.978369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.978369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.978369 (E_RNA) where: Base-Base interactions energy: -381.443 where: short stacking energy: -210.912 Base-Backbone interact. energy: 5.023 local terms energy: -467.558760 where: bonds (distance) C4'-P energy: -140.263 bonds (distance) P-C4' energy: -140.532 flat angles C4'-P-C4' energy: -125.077 flat angles P-C4'-P energy: -67.089 tors. eta vs tors. theta energy: 5.403 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: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2638.583496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.583496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.583496 (E_RNA) where: Base-Base interactions energy: -1815.514 where: short stacking energy: -742.164 Base-Backbone interact. energy: -4.703 local terms energy: -818.366533 where: bonds (distance) C4'-P energy: -158.417 bonds (distance) P-C4' energy: -162.223 flat angles C4'-P-C4' energy: -181.442 flat angles P-C4'-P energy: -129.677 tors. eta vs tors. theta energy: -186.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2401.149480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.149480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.149480 (E_RNA) where: Base-Base interactions energy: -1567.117 where: short stacking energy: -751.283 Base-Backbone interact. energy: -0.878 local terms energy: -833.154515 where: bonds (distance) C4'-P energy: -156.732 bonds (distance) P-C4' energy: -157.732 flat angles C4'-P-C4' energy: -181.860 flat angles P-C4'-P energy: -126.383 tors. eta vs tors. theta energy: -210.446 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: 45 Temperature: 1.000000 Total energy: -2222.951400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.951400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.951400 (E_RNA) where: Base-Base interactions energy: -1419.967 where: short stacking energy: -709.720 Base-Backbone interact. energy: -1.822 local terms energy: -801.162183 where: bonds (distance) C4'-P energy: -139.500 bonds (distance) P-C4' energy: -173.419 flat angles C4'-P-C4' energy: -182.239 flat angles P-C4'-P energy: -129.449 tors. eta vs tors. theta energy: -176.556 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: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2214.901343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.901343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.901343 (E_RNA) where: Base-Base interactions energy: -1490.177 where: short stacking energy: -669.092 Base-Backbone interact. energy: 0.273 local terms energy: -724.996679 where: bonds (distance) C4'-P energy: -133.336 bonds (distance) P-C4' energy: -140.997 flat angles C4'-P-C4' energy: -174.483 flat angles P-C4'-P energy: -101.580 tors. eta vs tors. theta energy: -174.601 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: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2131.299078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.299078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.299078 (E_RNA) where: Base-Base interactions energy: -1423.440 where: short stacking energy: -627.004 Base-Backbone interact. energy: 4.333 local terms energy: -712.191787 where: bonds (distance) C4'-P energy: -140.438 bonds (distance) P-C4' energy: -143.957 flat angles C4'-P-C4' energy: -168.534 flat angles P-C4'-P energy: -99.325 tors. eta vs tors. theta energy: -159.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1855.235654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.235654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.235654 (E_RNA) where: Base-Base interactions energy: -1215.581 where: short stacking energy: -566.557 Base-Backbone interact. energy: 1.310 local terms energy: -640.964994 where: bonds (distance) C4'-P energy: -140.451 bonds (distance) P-C4' energy: -124.771 flat angles C4'-P-C4' energy: -156.255 flat angles P-C4'-P energy: -92.293 tors. eta vs tors. theta energy: -127.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1764.273776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.273776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.273776 (E_RNA) where: Base-Base interactions energy: -1153.752 where: short stacking energy: -561.991 Base-Backbone interact. energy: -0.578 local terms energy: -609.943221 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -146.794 flat angles C4'-P-C4' energy: -139.356 flat angles P-C4'-P energy: -107.084 tors. eta vs tors. theta energy: -102.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1447.428530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.428530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.428530 (E_RNA) where: Base-Base interactions energy: -861.822 where: short stacking energy: -419.043 Base-Backbone interact. energy: 0.870 local terms energy: -586.477288 where: bonds (distance) C4'-P energy: -133.112 bonds (distance) P-C4' energy: -153.026 flat angles C4'-P-C4' energy: -139.951 flat angles P-C4'-P energy: -83.062 tors. eta vs tors. theta energy: -77.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1169.118380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.118380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.118380 (E_RNA) where: Base-Base interactions energy: -687.929 where: short stacking energy: -331.929 Base-Backbone interact. energy: 0.860 local terms energy: -482.049026 where: bonds (distance) C4'-P energy: -131.139 bonds (distance) P-C4' energy: -141.152 flat angles C4'-P-C4' energy: -88.859 flat angles P-C4'-P energy: -83.115 tors. eta vs tors. theta energy: -37.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -876.071362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.071362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.071362 (E_RNA) where: Base-Base interactions energy: -433.952 where: short stacking energy: -262.303 Base-Backbone interact. energy: 7.688 local terms energy: -449.807550 where: bonds (distance) C4'-P energy: -126.151 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -118.075 flat angles P-C4'-P energy: -65.455 tors. eta vs tors. theta energy: 2.658 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: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2657.326924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.326924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.326924 (E_RNA) where: Base-Base interactions energy: -1831.966 where: short stacking energy: -769.498 Base-Backbone interact. energy: -2.757 local terms energy: -822.603733 where: bonds (distance) C4'-P energy: -162.594 bonds (distance) P-C4' energy: -164.043 flat angles C4'-P-C4' energy: -196.854 flat angles P-C4'-P energy: -114.760 tors. eta vs tors. theta energy: -184.353 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: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2420.376038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.376038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.376038 (E_RNA) where: Base-Base interactions energy: -1609.277 where: short stacking energy: -793.049 Base-Backbone interact. energy: 2.650 local terms energy: -813.748516 where: bonds (distance) C4'-P energy: -159.195 bonds (distance) P-C4' energy: -159.353 flat angles C4'-P-C4' energy: -173.584 flat angles P-C4'-P energy: -112.660 tors. eta vs tors. theta energy: -208.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2250.164702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.164702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.164702 (E_RNA) where: Base-Base interactions energy: -1476.363 where: short stacking energy: -720.116 Base-Backbone interact. energy: 2.129 local terms energy: -775.930603 where: bonds (distance) C4'-P energy: -148.034 bonds (distance) P-C4' energy: -158.003 flat angles C4'-P-C4' energy: -184.525 flat angles P-C4'-P energy: -98.210 tors. eta vs tors. theta energy: -187.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2274.500716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.500716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.500716 (E_RNA) where: Base-Base interactions energy: -1519.232 where: short stacking energy: -679.719 Base-Backbone interact. energy: -2.112 local terms energy: -753.156259 where: bonds (distance) C4'-P energy: -167.780 bonds (distance) P-C4' energy: -158.725 flat angles C4'-P-C4' energy: -168.453 flat angles P-C4'-P energy: -98.305 tors. eta vs tors. theta energy: -159.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2161.959182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.959182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.959182 (E_RNA) where: Base-Base interactions energy: -1446.311 where: short stacking energy: -639.260 Base-Backbone interact. energy: 2.764 local terms energy: -718.411718 where: bonds (distance) C4'-P energy: -140.509 bonds (distance) P-C4' energy: -150.205 flat angles C4'-P-C4' energy: -166.023 flat angles P-C4'-P energy: -103.735 tors. eta vs tors. theta energy: -157.939 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: 8 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1885.579437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.579437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.579437 (E_RNA) where: Base-Base interactions energy: -1219.107 where: short stacking energy: -553.575 Base-Backbone interact. energy: -3.042 local terms energy: -663.430029 where: bonds (distance) C4'-P energy: -129.528 bonds (distance) P-C4' energy: -155.686 flat angles C4'-P-C4' energy: -162.334 flat angles P-C4'-P energy: -96.751 tors. eta vs tors. theta energy: -119.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1773.683109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.683109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.683109 (E_RNA) where: Base-Base interactions energy: -1164.453 where: short stacking energy: -544.313 Base-Backbone interact. energy: 0.926 local terms energy: -610.156120 where: bonds (distance) C4'-P energy: -118.188 bonds (distance) P-C4' energy: -143.438 flat angles C4'-P-C4' energy: -149.005 flat angles P-C4'-P energy: -69.466 tors. eta vs tors. theta energy: -130.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1485.577409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.577409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.577409 (E_RNA) where: Base-Base interactions energy: -914.821 where: short stacking energy: -425.938 Base-Backbone interact. energy: 1.315 local terms energy: -572.070482 where: bonds (distance) C4'-P energy: -133.161 bonds (distance) P-C4' energy: -147.921 flat angles C4'-P-C4' energy: -130.832 flat angles P-C4'-P energy: -84.836 tors. eta vs tors. theta energy: -75.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1165.703363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.703363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.703363 (E_RNA) where: Base-Base interactions energy: -678.595 where: short stacking energy: -364.248 Base-Backbone interact. energy: 9.585 local terms energy: -496.693438 where: bonds (distance) C4'-P energy: -125.022 bonds (distance) P-C4' energy: -136.012 flat angles C4'-P-C4' energy: -115.559 flat angles P-C4'-P energy: -83.699 tors. eta vs tors. theta energy: -36.401 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: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -881.161789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.161789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.161789 (E_RNA) where: Base-Base interactions energy: -408.659 where: short stacking energy: -230.501 Base-Backbone interact. energy: 4.952 local terms energy: -477.454633 where: bonds (distance) C4'-P energy: -150.985 bonds (distance) P-C4' energy: -146.418 flat angles C4'-P-C4' energy: -100.773 flat angles P-C4'-P energy: -70.610 tors. eta vs tors. theta energy: -8.668 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: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2662.416465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.416465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.416465 (E_RNA) where: Base-Base interactions energy: -1857.920 where: short stacking energy: -732.916 Base-Backbone interact. energy: -1.848 local terms energy: -802.648331 where: bonds (distance) C4'-P energy: -150.709 bonds (distance) P-C4' energy: -173.093 flat angles C4'-P-C4' energy: -193.483 flat angles P-C4'-P energy: -107.368 tors. eta vs tors. theta energy: -177.995 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: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2498.099486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.099486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.099486 (E_RNA) where: Base-Base interactions energy: -1657.034 where: short stacking energy: -787.128 Base-Backbone interact. energy: -4.540 local terms energy: -836.524970 where: bonds (distance) C4'-P energy: -155.319 bonds (distance) P-C4' energy: -177.873 flat angles C4'-P-C4' energy: -190.344 flat angles P-C4'-P energy: -109.864 tors. eta vs tors. theta energy: -203.125 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: 47 Temperature: 1.000000 Total energy: -2208.057790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.057790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.057790 (E_RNA) where: Base-Base interactions energy: -1418.043 where: short stacking energy: -699.532 Base-Backbone interact. energy: 0.150 local terms energy: -790.164615 where: bonds (distance) C4'-P energy: -163.632 bonds (distance) P-C4' energy: -167.302 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -183.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2254.726630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.726630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.726630 (E_RNA) where: Base-Base interactions energy: -1506.290 where: short stacking energy: -662.288 Base-Backbone interact. energy: 2.104 local terms energy: -750.540785 where: bonds (distance) C4'-P energy: -143.511 bonds (distance) P-C4' energy: -160.683 flat angles C4'-P-C4' energy: -165.633 flat angles P-C4'-P energy: -118.687 tors. eta vs tors. theta energy: -162.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2147.597847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.597847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.597847 (E_RNA) where: Base-Base interactions energy: -1411.858 where: short stacking energy: -631.825 Base-Backbone interact. energy: -0.734 local terms energy: -735.005356 where: bonds (distance) C4'-P energy: -148.599 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -174.213 flat angles P-C4'-P energy: -89.506 tors. eta vs tors. theta energy: -155.166 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: 8 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1935.360544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.360544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.360544 (E_RNA) where: Base-Base interactions energy: -1250.259 where: short stacking energy: -578.716 Base-Backbone interact. energy: -1.921 local terms energy: -683.180738 where: bonds (distance) C4'-P energy: -144.080 bonds (distance) P-C4' energy: -136.526 flat angles C4'-P-C4' energy: -158.233 flat angles P-C4'-P energy: -104.756 tors. eta vs tors. theta energy: -139.587 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: 47 Temperature: 1.200000 Total energy: -1807.403732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.403732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.403732 (E_RNA) where: Base-Base interactions energy: -1184.656 where: short stacking energy: -538.571 Base-Backbone interact. energy: -3.089 local terms energy: -619.659257 where: bonds (distance) C4'-P energy: -132.070 bonds (distance) P-C4' energy: -147.137 flat angles C4'-P-C4' energy: -143.945 flat angles P-C4'-P energy: -99.936 tors. eta vs tors. theta energy: -96.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1568.476088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.476088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.476088 (E_RNA) where: Base-Base interactions energy: -1004.212 where: short stacking energy: -493.968 Base-Backbone interact. energy: -1.216 local terms energy: -563.048204 where: bonds (distance) C4'-P energy: -133.084 bonds (distance) P-C4' energy: -139.702 flat angles C4'-P-C4' energy: -129.242 flat angles P-C4'-P energy: -73.382 tors. eta vs tors. theta energy: -87.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1256.513685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.513685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.513685 (E_RNA) where: Base-Base interactions energy: -712.323 where: short stacking energy: -384.386 Base-Backbone interact. energy: -0.358 local terms energy: -543.832324 where: bonds (distance) C4'-P energy: -147.957 bonds (distance) P-C4' energy: -132.262 flat angles C4'-P-C4' energy: -144.613 flat angles P-C4'-P energy: -76.011 tors. eta vs tors. theta energy: -42.988 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: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -930.768364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.768364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.768364 (E_RNA) where: Base-Base interactions energy: -486.152 where: short stacking energy: -262.026 Base-Backbone interact. energy: -0.143 local terms energy: -444.473660 where: bonds (distance) C4'-P energy: -104.286 bonds (distance) P-C4' energy: -135.214 flat angles C4'-P-C4' energy: -133.918 flat angles P-C4'-P energy: -77.909 tors. eta vs tors. theta energy: 6.853 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: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2721.070648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.070648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.070648 (E_RNA) where: Base-Base interactions energy: -1899.571 where: short stacking energy: -768.777 Base-Backbone interact. energy: 1.978 local terms energy: -823.478124 where: bonds (distance) C4'-P energy: -153.193 bonds (distance) P-C4' energy: -165.136 flat angles C4'-P-C4' energy: -189.006 flat angles P-C4'-P energy: -132.751 tors. eta vs tors. theta energy: -183.393 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: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2453.160728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.160728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.160728 (E_RNA) where: Base-Base interactions energy: -1629.667 where: short stacking energy: -759.879 Base-Backbone interact. energy: -1.835 local terms energy: -821.658364 where: bonds (distance) C4'-P energy: -160.572 bonds (distance) P-C4' energy: -173.107 flat angles C4'-P-C4' energy: -166.311 flat angles P-C4'-P energy: -118.902 tors. eta vs tors. theta energy: -202.766 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: 3, replica: 6 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2329.966244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.966244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.966244 (E_RNA) where: Base-Base interactions energy: -1516.279 where: short stacking energy: -681.564 Base-Backbone interact. energy: -3.116 local terms energy: -810.571942 where: bonds (distance) C4'-P energy: -170.361 bonds (distance) P-C4' energy: -177.623 flat angles C4'-P-C4' energy: -169.541 flat angles P-C4'-P energy: -121.247 tors. eta vs tors. theta energy: -171.801 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: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2103.679290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.679290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.679290 (E_RNA) where: Base-Base interactions energy: -1353.340 where: short stacking energy: -676.490 Base-Backbone interact. energy: -0.349 local terms energy: -749.989837 where: bonds (distance) C4'-P energy: -146.056 bonds (distance) P-C4' energy: -148.765 flat angles C4'-P-C4' energy: -164.780 flat angles P-C4'-P energy: -117.711 tors. eta vs tors. theta energy: -172.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2172.614848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.614848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.614848 (E_RNA) where: Base-Base interactions energy: -1442.528 where: short stacking energy: -643.880 Base-Backbone interact. energy: -1.505 local terms energy: -728.581949 where: bonds (distance) C4'-P energy: -154.023 bonds (distance) P-C4' energy: -158.516 flat angles C4'-P-C4' energy: -171.216 flat angles P-C4'-P energy: -85.551 tors. eta vs tors. theta energy: -159.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1932.400648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.400648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.400648 (E_RNA) where: Base-Base interactions energy: -1252.238 where: short stacking energy: -590.317 Base-Backbone interact. energy: -3.889 local terms energy: -676.273687 where: bonds (distance) C4'-P energy: -139.279 bonds (distance) P-C4' energy: -149.109 flat angles C4'-P-C4' energy: -157.942 flat angles P-C4'-P energy: -87.885 tors. eta vs tors. theta energy: -142.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1797.422682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.422682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.422682 (E_RNA) where: Base-Base interactions energy: -1130.628 where: short stacking energy: -519.394 Base-Backbone interact. energy: -3.913 local terms energy: -662.881552 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -147.533 flat angles C4'-P-C4' energy: -151.278 flat angles P-C4'-P energy: -104.210 tors. eta vs tors. theta energy: -124.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1480.590624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.590624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.590624 (E_RNA) where: Base-Base interactions energy: -910.793 where: short stacking energy: -410.094 Base-Backbone interact. energy: -1.918 local terms energy: -567.879631 where: bonds (distance) C4'-P energy: -144.552 bonds (distance) P-C4' energy: -155.570 flat angles C4'-P-C4' energy: -116.968 flat angles P-C4'-P energy: -79.206 tors. eta vs tors. theta energy: -71.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1211.331006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.331006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.331006 (E_RNA) where: Base-Base interactions energy: -720.523 where: short stacking energy: -381.044 Base-Backbone interact. energy: 3.991 local terms energy: -494.798924 where: bonds (distance) C4'-P energy: -106.284 bonds (distance) P-C4' energy: -129.011 flat angles C4'-P-C4' energy: -112.735 flat angles P-C4'-P energy: -85.502 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: 10, replica: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -937.223193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.223193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.223193 (E_RNA) where: Base-Base interactions energy: -506.848 where: short stacking energy: -295.374 Base-Backbone interact. energy: 6.381 local terms energy: -436.756137 where: bonds (distance) C4'-P energy: -116.634 bonds (distance) P-C4' energy: -153.719 flat angles C4'-P-C4' energy: -97.067 flat angles P-C4'-P energy: -48.582 tors. eta vs tors. theta energy: -20.754 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: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2732.667607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.667607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.667607 (E_RNA) where: Base-Base interactions energy: -1934.219 where: short stacking energy: -766.259 Base-Backbone interact. energy: 6.232 local terms energy: -804.681075 where: bonds (distance) C4'-P energy: -169.796 bonds (distance) P-C4' energy: -155.072 flat angles C4'-P-C4' energy: -176.461 flat angles P-C4'-P energy: -116.605 tors. eta vs tors. theta energy: -186.747 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: 2, replica: 5 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2398.073088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.073088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.073088 (E_RNA) where: Base-Base interactions energy: -1600.953 where: short stacking energy: -775.927 Base-Backbone interact. energy: -2.340 local terms energy: -794.780302 where: bonds (distance) C4'-P energy: -156.916 bonds (distance) P-C4' energy: -156.989 flat angles C4'-P-C4' energy: -167.627 flat angles P-C4'-P energy: -113.739 tors. eta vs tors. theta energy: -199.510 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: 6 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2337.057586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.057586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.057586 (E_RNA) where: Base-Base interactions energy: -1548.619 where: short stacking energy: -712.389 Base-Backbone interact. energy: -6.497 local terms energy: -781.941743 where: bonds (distance) C4'-P energy: -150.188 bonds (distance) P-C4' energy: -165.968 flat angles C4'-P-C4' energy: -178.284 flat angles P-C4'-P energy: -99.544 tors. eta vs tors. theta energy: -187.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2305.228128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.228128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.228128 (E_RNA) where: Base-Base interactions energy: -1531.323 where: short stacking energy: -705.898 Base-Backbone interact. energy: -4.140 local terms energy: -769.765635 where: bonds (distance) C4'-P energy: -158.395 bonds (distance) P-C4' energy: -163.853 flat angles C4'-P-C4' energy: -150.347 flat angles P-C4'-P energy: -112.822 tors. eta vs tors. theta energy: -184.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2052.413875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.413875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.413875 (E_RNA) where: Base-Base interactions energy: -1321.163 where: short stacking energy: -634.966 Base-Backbone interact. energy: -1.017 local terms energy: -730.233531 where: bonds (distance) C4'-P energy: -146.886 bonds (distance) P-C4' energy: -146.753 flat angles C4'-P-C4' energy: -176.687 flat angles P-C4'-P energy: -91.924 tors. eta vs tors. theta energy: -167.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1926.811613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.811613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.811613 (E_RNA) where: Base-Base interactions energy: -1245.661 where: short stacking energy: -568.743 Base-Backbone interact. energy: 1.377 local terms energy: -682.527698 where: bonds (distance) C4'-P energy: -145.590 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -145.566 flat angles P-C4'-P energy: -91.074 tors. eta vs tors. theta energy: -144.984 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: 49 Temperature: 1.200000 Total energy: -1838.436287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.436287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.436287 (E_RNA) where: Base-Base interactions energy: -1192.309 where: short stacking energy: -564.005 Base-Backbone interact. energy: -3.541 local terms energy: -642.586305 where: bonds (distance) C4'-P energy: -133.432 bonds (distance) P-C4' energy: -162.045 flat angles C4'-P-C4' energy: -138.333 flat angles P-C4'-P energy: -89.819 tors. eta vs tors. theta energy: -118.957 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: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1505.244796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.244796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.244796 (E_RNA) where: Base-Base interactions energy: -945.375 where: short stacking energy: -462.582 Base-Backbone interact. energy: -1.387 local terms energy: -558.482790 where: bonds (distance) C4'-P energy: -139.043 bonds (distance) P-C4' energy: -118.401 flat angles C4'-P-C4' energy: -141.279 flat angles P-C4'-P energy: -72.155 tors. eta vs tors. theta energy: -87.606 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: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1279.766261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.766261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.766261 (E_RNA) where: Base-Base interactions energy: -763.905 where: short stacking energy: -391.259 Base-Backbone interact. energy: -2.169 local terms energy: -513.691777 where: bonds (distance) C4'-P energy: -110.797 bonds (distance) P-C4' energy: -148.895 flat angles C4'-P-C4' energy: -129.167 flat angles P-C4'-P energy: -70.601 tors. eta vs tors. theta energy: -54.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -977.403132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.403132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.403132 (E_RNA) where: Base-Base interactions energy: -515.587 where: short stacking energy: -270.663 Base-Backbone interact. energy: 0.268 local terms energy: -462.083916 where: bonds (distance) C4'-P energy: -127.910 bonds (distance) P-C4' energy: -153.568 flat angles C4'-P-C4' energy: -112.177 flat angles P-C4'-P energy: -57.710 tors. eta vs tors. theta energy: -10.718 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: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2742.816997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.816997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.816997 (E_RNA) where: Base-Base interactions energy: -1895.401 where: short stacking energy: -777.426 Base-Backbone interact. energy: -0.635 local terms energy: -846.781095 where: bonds (distance) C4'-P energy: -178.920 bonds (distance) P-C4' energy: -172.907 flat angles C4'-P-C4' energy: -183.243 flat angles P-C4'-P energy: -122.667 tors. eta vs tors. theta energy: -189.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2409.636064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.636064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.636064 (E_RNA) where: Base-Base interactions energy: -1593.943 where: short stacking energy: -736.988 Base-Backbone interact. energy: -5.709 local terms energy: -809.983420 where: bonds (distance) C4'-P energy: -167.910 bonds (distance) P-C4' energy: -163.162 flat angles C4'-P-C4' energy: -178.645 flat angles P-C4'-P energy: -106.504 tors. eta vs tors. theta energy: -193.762 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: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2365.898675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.898675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.898675 (E_RNA) where: Base-Base interactions energy: -1594.684 where: short stacking energy: -726.835 Base-Backbone interact. energy: 0.933 local terms energy: -772.146969 where: bonds (distance) C4'-P energy: -147.803 bonds (distance) P-C4' energy: -174.492 flat angles C4'-P-C4' energy: -175.460 flat angles P-C4'-P energy: -98.644 tors. eta vs tors. theta energy: -175.748 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: 4 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2300.343938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.343938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.343938 (E_RNA) where: Base-Base interactions energy: -1517.986 where: short stacking energy: -718.882 Base-Backbone interact. energy: -1.624 local terms energy: -780.734680 where: bonds (distance) C4'-P energy: -150.914 bonds (distance) P-C4' energy: -163.284 flat angles C4'-P-C4' energy: -165.682 flat angles P-C4'-P energy: -119.961 tors. eta vs tors. theta energy: -180.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2052.009372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.009372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.009372 (E_RNA) where: Base-Base interactions energy: -1315.066 where: short stacking energy: -614.654 Base-Backbone interact. energy: 1.919 local terms energy: -738.862200 where: bonds (distance) C4'-P energy: -148.433 bonds (distance) P-C4' energy: -154.279 flat angles C4'-P-C4' energy: -166.357 flat angles P-C4'-P energy: -115.801 tors. eta vs tors. theta energy: -153.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1945.153724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.153724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.153724 (E_RNA) where: Base-Base interactions energy: -1275.433 where: short stacking energy: -565.905 Base-Backbone interact. energy: -1.440 local terms energy: -668.280104 where: bonds (distance) C4'-P energy: -127.325 bonds (distance) P-C4' energy: -153.374 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -113.720 tors. eta vs tors. theta energy: -136.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1815.134870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.134870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.134870 (E_RNA) where: Base-Base interactions energy: -1186.511 where: short stacking energy: -583.241 Base-Backbone interact. energy: -2.170 local terms energy: -626.454792 where: bonds (distance) C4'-P energy: -140.111 bonds (distance) P-C4' energy: -133.767 flat angles C4'-P-C4' energy: -147.670 flat angles P-C4'-P energy: -61.793 tors. eta vs tors. theta energy: -143.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1533.058779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.058779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.058779 (E_RNA) where: Base-Base interactions energy: -969.507 where: short stacking energy: -456.923 Base-Backbone interact. energy: 1.960 local terms energy: -565.511648 where: bonds (distance) C4'-P energy: -150.868 bonds (distance) P-C4' energy: -136.131 flat angles C4'-P-C4' energy: -115.249 flat angles P-C4'-P energy: -82.785 tors. eta vs tors. theta energy: -80.479 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: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1265.510941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.510941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.510941 (E_RNA) where: Base-Base interactions energy: -707.201 where: short stacking energy: -358.104 Base-Backbone interact. energy: 3.023 local terms energy: -561.333497 where: bonds (distance) C4'-P energy: -151.212 bonds (distance) P-C4' energy: -150.387 flat angles C4'-P-C4' energy: -118.652 flat angles P-C4'-P energy: -100.164 tors. eta vs tors. theta energy: -40.919 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: 50 Temperature: 1.350000 Total energy: -945.389339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.389339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.389339 (E_RNA) where: Base-Base interactions energy: -493.460 where: short stacking energy: -289.634 Base-Backbone interact. energy: 3.539 local terms energy: -455.468579 where: bonds (distance) C4'-P energy: -115.435 bonds (distance) P-C4' energy: -126.684 flat angles C4'-P-C4' energy: -124.546 flat angles P-C4'-P energy: -67.020 tors. eta vs tors. theta energy: -21.783 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: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2679.956251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.956251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.956251 (E_RNA) where: Base-Base interactions energy: -1873.815 where: short stacking energy: -779.130 Base-Backbone interact. energy: -0.872 local terms energy: -805.268804 where: bonds (distance) C4'-P energy: -159.970 bonds (distance) P-C4' energy: -168.345 flat angles C4'-P-C4' energy: -172.680 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -190.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -2447.724767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.724767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.724767 (E_RNA) where: Base-Base interactions energy: -1637.200 where: short stacking energy: -777.641 Base-Backbone interact. energy: -7.623 local terms energy: -802.901383 where: bonds (distance) C4'-P energy: -141.772 bonds (distance) P-C4' energy: -175.082 flat angles C4'-P-C4' energy: -184.182 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -192.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2427.980001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.980001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.980001 (E_RNA) where: Base-Base interactions energy: -1664.940 where: short stacking energy: -722.789 Base-Backbone interact. energy: -3.990 local terms energy: -759.049875 where: bonds (distance) C4'-P energy: -144.722 bonds (distance) P-C4' energy: -168.825 flat angles C4'-P-C4' energy: -166.893 flat angles P-C4'-P energy: -107.797 tors. eta vs tors. theta energy: -170.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2135.227471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.227471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.227471 (E_RNA) where: Base-Base interactions energy: -1350.045 where: short stacking energy: -666.860 Base-Backbone interact. energy: 0.491 local terms energy: -785.673520 where: bonds (distance) C4'-P energy: -145.450 bonds (distance) P-C4' energy: -165.117 flat angles C4'-P-C4' energy: -173.827 flat angles P-C4'-P energy: -122.169 tors. eta vs tors. theta energy: -179.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2134.126150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.126150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.126150 (E_RNA) where: Base-Base interactions energy: -1387.194 where: short stacking energy: -626.475 Base-Backbone interact. energy: 6.281 local terms energy: -753.213873 where: bonds (distance) C4'-P energy: -156.691 bonds (distance) P-C4' energy: -163.295 flat angles C4'-P-C4' energy: -161.640 flat angles P-C4'-P energy: -113.154 tors. eta vs tors. theta energy: -158.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1939.194635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.194635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.194635 (E_RNA) where: Base-Base interactions energy: -1231.748 where: short stacking energy: -576.807 Base-Backbone interact. energy: -3.919 local terms energy: -703.527387 where: bonds (distance) C4'-P energy: -125.316 bonds (distance) P-C4' energy: -148.208 flat angles C4'-P-C4' energy: -170.135 flat angles P-C4'-P energy: -108.894 tors. eta vs tors. theta energy: -150.975 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: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1807.887914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.887914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.887914 (E_RNA) where: Base-Base interactions energy: -1163.348 where: short stacking energy: -537.630 Base-Backbone interact. energy: 1.097 local terms energy: -645.636725 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -139.513 flat angles C4'-P-C4' energy: -145.288 flat angles P-C4'-P energy: -91.614 tors. eta vs tors. theta energy: -113.982 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: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1472.787605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.787605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.787605 (E_RNA) where: Base-Base interactions energy: -925.751 where: short stacking energy: -446.691 Base-Backbone interact. energy: 6.289 local terms energy: -553.325829 where: bonds (distance) C4'-P energy: -131.424 bonds (distance) P-C4' energy: -136.035 flat angles C4'-P-C4' energy: -115.775 flat angles P-C4'-P energy: -90.086 tors. eta vs tors. theta energy: -80.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1193.899885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.899885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.899885 (E_RNA) where: Base-Base interactions energy: -689.413 where: short stacking energy: -315.060 Base-Backbone interact. energy: -2.070 local terms energy: -502.416584 where: bonds (distance) C4'-P energy: -135.700 bonds (distance) P-C4' energy: -159.472 flat angles C4'-P-C4' energy: -112.490 flat angles P-C4'-P energy: -75.767 tors. eta vs tors. theta energy: -18.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -938.561454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.561454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.561454 (E_RNA) where: Base-Base interactions energy: -474.741 where: short stacking energy: -259.454 Base-Backbone interact. energy: 3.067 local terms energy: -466.887200 where: bonds (distance) C4'-P energy: -135.057 bonds (distance) P-C4' energy: -144.411 flat angles C4'-P-C4' energy: -118.713 flat angles P-C4'-P energy: -69.408 tors. eta vs tors. theta energy: 0.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2729.393157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.393157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.393157 (E_RNA) where: Base-Base interactions energy: -1883.739 where: short stacking energy: -772.541 Base-Backbone interact. energy: -4.813 local terms energy: -840.841150 where: bonds (distance) C4'-P energy: -173.001 bonds (distance) P-C4' energy: -163.067 flat angles C4'-P-C4' energy: -186.542 flat angles P-C4'-P energy: -122.072 tors. eta vs tors. theta energy: -196.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2465.892018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.892018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.892018 (E_RNA) where: Base-Base interactions energy: -1621.907 where: short stacking energy: -786.085 Base-Backbone interact. energy: -3.721 local terms energy: -840.263814 where: bonds (distance) C4'-P energy: -148.870 bonds (distance) P-C4' energy: -169.786 flat angles C4'-P-C4' energy: -193.531 flat angles P-C4'-P energy: -120.414 tors. eta vs tors. theta energy: -207.664 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: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2413.777813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.777813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.777813 (E_RNA) where: Base-Base interactions energy: -1655.887 where: short stacking energy: -702.984 Base-Backbone interact. energy: -3.539 local terms energy: -754.351400 where: bonds (distance) C4'-P energy: -143.079 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -177.955 flat angles P-C4'-P energy: -97.824 tors. eta vs tors. theta energy: -185.247 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: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2109.744186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.744186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.744186 (E_RNA) where: Base-Base interactions energy: -1350.750 where: short stacking energy: -654.887 Base-Backbone interact. energy: 2.716 local terms energy: -761.711015 where: bonds (distance) C4'-P energy: -144.598 bonds (distance) P-C4' energy: -165.252 flat angles C4'-P-C4' energy: -175.327 flat angles P-C4'-P energy: -108.269 tors. eta vs tors. theta energy: -168.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2169.658707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.658707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.658707 (E_RNA) where: Base-Base interactions energy: -1438.595 where: short stacking energy: -678.077 Base-Backbone interact. energy: 5.425 local terms energy: -736.488422 where: bonds (distance) C4'-P energy: -158.256 bonds (distance) P-C4' energy: -158.380 flat angles C4'-P-C4' energy: -161.779 flat angles P-C4'-P energy: -80.809 tors. eta vs tors. theta energy: -177.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1909.939552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.939552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.939552 (E_RNA) where: Base-Base interactions energy: -1255.632 where: short stacking energy: -562.436 Base-Backbone interact. energy: -2.121 local terms energy: -652.186992 where: bonds (distance) C4'-P energy: -148.270 bonds (distance) P-C4' energy: -145.771 flat angles C4'-P-C4' energy: -147.675 flat angles P-C4'-P energy: -91.160 tors. eta vs tors. theta energy: -119.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1882.781876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.781876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.781876 (E_RNA) where: Base-Base interactions energy: -1229.127 where: short stacking energy: -587.239 Base-Backbone interact. energy: 0.241 local terms energy: -653.895772 where: bonds (distance) C4'-P energy: -112.311 bonds (distance) P-C4' energy: -163.636 flat angles C4'-P-C4' energy: -156.721 flat angles P-C4'-P energy: -89.809 tors. eta vs tors. theta energy: -131.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1482.834090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.834090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.834090 (E_RNA) where: Base-Base interactions energy: -946.262 where: short stacking energy: -457.667 Base-Backbone interact. energy: 0.920 local terms energy: -537.491701 where: bonds (distance) C4'-P energy: -117.028 bonds (distance) P-C4' energy: -139.823 flat angles C4'-P-C4' energy: -130.321 flat angles P-C4'-P energy: -78.536 tors. eta vs tors. theta energy: -71.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1236.213079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.213079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.213079 (E_RNA) where: Base-Base interactions energy: -711.569 where: short stacking energy: -367.769 Base-Backbone interact. energy: 2.962 local terms energy: -527.605969 where: bonds (distance) C4'-P energy: -138.798 bonds (distance) P-C4' energy: -139.923 flat angles C4'-P-C4' energy: -138.847 flat angles P-C4'-P energy: -75.649 tors. eta vs tors. theta energy: -34.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -921.374437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.374437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.374437 (E_RNA) where: Base-Base interactions energy: -477.541 where: short stacking energy: -275.556 Base-Backbone interact. energy: -1.919 local terms energy: -441.914622 where: bonds (distance) C4'-P energy: -129.804 bonds (distance) P-C4' energy: -128.525 flat angles C4'-P-C4' energy: -124.342 flat angles P-C4'-P energy: -64.953 tors. eta vs tors. theta energy: 5.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2721.203990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.203990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.203990 (E_RNA) where: Base-Base interactions energy: -1914.463 where: short stacking energy: -781.564 Base-Backbone interact. energy: 0.756 local terms energy: -807.497632 where: bonds (distance) C4'-P energy: -168.020 bonds (distance) P-C4' energy: -157.658 flat angles C4'-P-C4' energy: -175.003 flat angles P-C4'-P energy: -118.074 tors. eta vs tors. theta energy: -188.742 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: 5 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2431.749796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.749796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.749796 (E_RNA) where: Base-Base interactions energy: -1603.513 where: short stacking energy: -764.868 Base-Backbone interact. energy: -2.963 local terms energy: -825.274448 where: bonds (distance) C4'-P energy: -155.855 bonds (distance) P-C4' energy: -175.518 flat angles C4'-P-C4' energy: -176.352 flat angles P-C4'-P energy: -121.883 tors. eta vs tors. theta energy: -195.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2371.726108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.726108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.726108 (E_RNA) where: Base-Base interactions energy: -1600.460 where: short stacking energy: -682.801 Base-Backbone interact. energy: -4.212 local terms energy: -767.054140 where: bonds (distance) C4'-P energy: -157.561 bonds (distance) P-C4' energy: -151.820 flat angles C4'-P-C4' energy: -175.136 flat angles P-C4'-P energy: -105.492 tors. eta vs tors. theta energy: -177.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2249.484492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.484492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.484492 (E_RNA) where: Base-Base interactions energy: -1480.028 where: short stacking energy: -711.250 Base-Backbone interact. energy: -0.656 local terms energy: -768.800290 where: bonds (distance) C4'-P energy: -145.104 bonds (distance) P-C4' energy: -152.678 flat angles C4'-P-C4' energy: -166.238 flat angles P-C4'-P energy: -119.634 tors. eta vs tors. theta energy: -185.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2045.489764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.489764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.489764 (E_RNA) where: Base-Base interactions energy: -1301.377 where: short stacking energy: -634.582 Base-Backbone interact. energy: -2.874 local terms energy: -741.238550 where: bonds (distance) C4'-P energy: -147.411 bonds (distance) P-C4' energy: -153.301 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -105.766 tors. eta vs tors. theta energy: -167.873 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: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1930.619935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.619935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.619935 (E_RNA) where: Base-Base interactions energy: -1260.635 where: short stacking energy: -578.961 Base-Backbone interact. energy: -1.351 local terms energy: -668.633848 where: bonds (distance) C4'-P energy: -134.689 bonds (distance) P-C4' energy: -160.689 flat angles C4'-P-C4' energy: -159.913 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -125.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1802.566137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.566137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.566137 (E_RNA) where: Base-Base interactions energy: -1184.382 where: short stacking energy: -525.408 Base-Backbone interact. energy: -4.856 local terms energy: -613.327676 where: bonds (distance) C4'-P energy: -134.691 bonds (distance) P-C4' energy: -131.049 flat angles C4'-P-C4' energy: -147.707 flat angles P-C4'-P energy: -87.345 tors. eta vs tors. theta energy: -112.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1613.555716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.555716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.555716 (E_RNA) where: Base-Base interactions energy: -1036.616 where: short stacking energy: -495.871 Base-Backbone interact. energy: -0.312 local terms energy: -576.627681 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -129.950 flat angles C4'-P-C4' energy: -149.529 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -99.024 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: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1241.224955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.224955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.224955 (E_RNA) where: Base-Base interactions energy: -770.134 where: short stacking energy: -376.545 Base-Backbone interact. energy: 0.351 local terms energy: -471.442731 where: bonds (distance) C4'-P energy: -118.760 bonds (distance) P-C4' energy: -132.218 flat angles C4'-P-C4' energy: -98.780 flat angles P-C4'-P energy: -61.644 tors. eta vs tors. theta energy: -60.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -965.530789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.530789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.530789 (E_RNA) where: Base-Base interactions energy: -504.240 where: short stacking energy: -282.606 Base-Backbone interact. energy: 2.488 local terms energy: -463.779496 where: bonds (distance) C4'-P energy: -138.855 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -105.936 flat angles P-C4'-P energy: -78.695 tors. eta vs tors. theta energy: -9.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2705.398601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.398601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.398601 (E_RNA) where: Base-Base interactions energy: -1887.600 where: short stacking energy: -776.164 Base-Backbone interact. energy: -5.642 local terms energy: -812.155810 where: bonds (distance) C4'-P energy: -154.876 bonds (distance) P-C4' energy: -147.277 flat angles C4'-P-C4' energy: -191.439 flat angles P-C4'-P energy: -121.401 tors. eta vs tors. theta energy: -197.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2418.904655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.904655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.904655 (E_RNA) where: Base-Base interactions energy: -1591.643 where: short stacking energy: -753.789 Base-Backbone interact. energy: -5.494 local terms energy: -821.767628 where: bonds (distance) C4'-P energy: -169.178 bonds (distance) P-C4' energy: -155.256 flat angles C4'-P-C4' energy: -179.130 flat angles P-C4'-P energy: -124.024 tors. eta vs tors. theta energy: -194.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2388.557170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.557170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.557170 (E_RNA) where: Base-Base interactions energy: -1603.358 where: short stacking energy: -697.778 Base-Backbone interact. energy: -5.234 local terms energy: -779.965818 where: bonds (distance) C4'-P energy: -150.410 bonds (distance) P-C4' energy: -171.356 flat angles C4'-P-C4' energy: -165.469 flat angles P-C4'-P energy: -109.422 tors. eta vs tors. theta energy: -183.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2252.521703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.521703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.521703 (E_RNA) where: Base-Base interactions energy: -1490.593 where: short stacking energy: -681.171 Base-Backbone interact. energy: -1.725 local terms energy: -760.203323 where: bonds (distance) C4'-P energy: -145.591 bonds (distance) P-C4' energy: -157.924 flat angles C4'-P-C4' energy: -171.989 flat angles P-C4'-P energy: -101.127 tors. eta vs tors. theta energy: -183.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2068.061385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.061385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.061385 (E_RNA) where: Base-Base interactions energy: -1360.491 where: short stacking energy: -660.780 Base-Backbone interact. energy: 0.355 local terms energy: -707.926174 where: bonds (distance) C4'-P energy: -145.240 bonds (distance) P-C4' energy: -149.598 flat angles C4'-P-C4' energy: -161.232 flat angles P-C4'-P energy: -98.856 tors. eta vs tors. theta energy: -153.000 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: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1925.230686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.230686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.230686 (E_RNA) where: Base-Base interactions energy: -1253.936 where: short stacking energy: -599.914 Base-Backbone interact. energy: -1.557 local terms energy: -669.737097 where: bonds (distance) C4'-P energy: -125.865 bonds (distance) P-C4' energy: -150.354 flat angles C4'-P-C4' energy: -153.114 flat angles P-C4'-P energy: -102.669 tors. eta vs tors. theta energy: -137.734 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: 8 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1859.725275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.725275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.725275 (E_RNA) where: Base-Base interactions energy: -1233.162 where: short stacking energy: -564.296 Base-Backbone interact. energy: 1.363 local terms energy: -627.926607 where: bonds (distance) C4'-P energy: -126.578 bonds (distance) P-C4' energy: -134.853 flat angles C4'-P-C4' energy: -142.601 flat angles P-C4'-P energy: -90.424 tors. eta vs tors. theta energy: -133.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1620.372114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.372114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.372114 (E_RNA) where: Base-Base interactions energy: -1032.931 where: short stacking energy: -517.087 Base-Backbone interact. energy: 1.527 local terms energy: -588.968267 where: bonds (distance) C4'-P energy: -142.267 bonds (distance) P-C4' energy: -131.203 flat angles C4'-P-C4' energy: -142.446 flat angles P-C4'-P energy: -66.676 tors. eta vs tors. theta energy: -106.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1298.422768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.422768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.422768 (E_RNA) where: Base-Base interactions energy: -808.678 where: short stacking energy: -392.547 Base-Backbone interact. energy: -2.972 local terms energy: -486.773025 where: bonds (distance) C4'-P energy: -139.614 bonds (distance) P-C4' energy: -109.754 flat angles C4'-P-C4' energy: -125.327 flat angles P-C4'-P energy: -79.290 tors. eta vs tors. theta energy: -32.789 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: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -998.865943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.865943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.865943 (E_RNA) where: Base-Base interactions energy: -523.073 where: short stacking energy: -283.152 Base-Backbone interact. energy: -2.919 local terms energy: -472.874085 where: bonds (distance) C4'-P energy: -116.534 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -147.960 flat angles P-C4'-P energy: -56.374 tors. eta vs tors. theta energy: 2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2715.508097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.508097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.508097 (E_RNA) where: Base-Base interactions energy: -1890.473 where: short stacking energy: -761.807 Base-Backbone interact. energy: -4.269 local terms energy: -820.766128 where: bonds (distance) C4'-P energy: -152.640 bonds (distance) P-C4' energy: -172.414 flat angles C4'-P-C4' energy: -168.225 flat angles P-C4'-P energy: -122.483 tors. eta vs tors. theta energy: -205.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2458.033021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.033021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.033021 (E_RNA) where: Base-Base interactions energy: -1615.883 where: short stacking energy: -772.883 Base-Backbone interact. energy: -6.799 local terms energy: -835.351795 where: bonds (distance) C4'-P energy: -151.520 bonds (distance) P-C4' energy: -181.057 flat angles C4'-P-C4' energy: -187.312 flat angles P-C4'-P energy: -120.966 tors. eta vs tors. theta energy: -194.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2427.691213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.691213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.691213 (E_RNA) where: Base-Base interactions energy: -1634.085 where: short stacking energy: -749.932 Base-Backbone interact. energy: -1.624 local terms energy: -791.982253 where: bonds (distance) C4'-P energy: -142.397 bonds (distance) P-C4' energy: -160.343 flat angles C4'-P-C4' energy: -182.380 flat angles P-C4'-P energy: -106.863 tors. eta vs tors. theta energy: -199.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2227.625993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.625993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.625993 (E_RNA) where: Base-Base interactions energy: -1447.643 where: short stacking energy: -674.869 Base-Backbone interact. energy: -4.246 local terms energy: -775.736391 where: bonds (distance) C4'-P energy: -154.419 bonds (distance) P-C4' energy: -161.780 flat angles C4'-P-C4' energy: -179.115 flat angles P-C4'-P energy: -104.696 tors. eta vs tors. theta energy: -175.727 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: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2017.556204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.556204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.556204 (E_RNA) where: Base-Base interactions energy: -1307.609 where: short stacking energy: -628.976 Base-Backbone interact. energy: 1.322 local terms energy: -711.269920 where: bonds (distance) C4'-P energy: -144.709 bonds (distance) P-C4' energy: -138.358 flat angles C4'-P-C4' energy: -167.643 flat angles P-C4'-P energy: -103.247 tors. eta vs tors. theta energy: -157.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1916.846110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.846110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.846110 (E_RNA) where: Base-Base interactions energy: -1254.017 where: short stacking energy: -607.892 Base-Backbone interact. energy: -3.281 local terms energy: -659.548774 where: bonds (distance) C4'-P energy: -140.152 bonds (distance) P-C4' energy: -129.557 flat angles C4'-P-C4' energy: -160.420 flat angles P-C4'-P energy: -99.520 tors. eta vs tors. theta energy: -129.899 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: 55 Temperature: 1.200000 Total energy: -1816.445095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.445095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.445095 (E_RNA) where: Base-Base interactions energy: -1207.989 where: short stacking energy: -558.993 Base-Backbone interact. energy: -2.251 local terms energy: -606.205184 where: bonds (distance) C4'-P energy: -149.436 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -141.998 flat angles P-C4'-P energy: -74.304 tors. eta vs tors. theta energy: -112.771 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: 1 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1642.712587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.712587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.712587 (E_RNA) where: Base-Base interactions energy: -1046.822 where: short stacking energy: -480.307 Base-Backbone interact. energy: -3.476 local terms energy: -592.415170 where: bonds (distance) C4'-P energy: -123.846 bonds (distance) P-C4' energy: -124.478 flat angles C4'-P-C4' energy: -137.752 flat angles P-C4'-P energy: -102.818 tors. eta vs tors. theta energy: -103.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1349.922192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.922192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.922192 (E_RNA) where: Base-Base interactions energy: -782.994 where: short stacking energy: -356.753 Base-Backbone interact. energy: 2.339 local terms energy: -569.267659 where: bonds (distance) C4'-P energy: -111.161 bonds (distance) P-C4' energy: -146.639 flat angles C4'-P-C4' energy: -147.489 flat angles P-C4'-P energy: -111.508 tors. eta vs tors. theta energy: -52.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1005.404833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.404833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.404833 (E_RNA) where: Base-Base interactions energy: -573.526 where: short stacking energy: -316.362 Base-Backbone interact. energy: -3.422 local terms energy: -428.456759 where: bonds (distance) C4'-P energy: -116.203 bonds (distance) P-C4' energy: -137.609 flat angles C4'-P-C4' energy: -119.306 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2715.477231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.477231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.477231 (E_RNA) where: Base-Base interactions energy: -1853.814 where: short stacking energy: -742.725 Base-Backbone interact. energy: -4.075 local terms energy: -857.587844 where: bonds (distance) C4'-P energy: -171.253 bonds (distance) P-C4' energy: -179.786 flat angles C4'-P-C4' energy: -190.689 flat angles P-C4'-P energy: -123.641 tors. eta vs tors. theta energy: -192.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2429.031966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.031966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.031966 (E_RNA) where: Base-Base interactions energy: -1601.265 where: short stacking energy: -773.909 Base-Backbone interact. energy: -0.076 local terms energy: -827.691840 where: bonds (distance) C4'-P energy: -148.617 bonds (distance) P-C4' energy: -166.650 flat angles C4'-P-C4' energy: -189.006 flat angles P-C4'-P energy: -111.757 tors. eta vs tors. theta energy: -211.662 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: 56 Temperature: 1.000000 Total energy: -2435.501986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.501986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.501986 (E_RNA) where: Base-Base interactions energy: -1643.152 where: short stacking energy: -759.281 Base-Backbone interact. energy: -3.574 local terms energy: -788.776257 where: bonds (distance) C4'-P energy: -150.672 bonds (distance) P-C4' energy: -155.383 flat angles C4'-P-C4' energy: -164.075 flat angles P-C4'-P energy: -117.473 tors. eta vs tors. theta energy: -201.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2290.803620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.803620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.803620 (E_RNA) where: Base-Base interactions energy: -1541.499 where: short stacking energy: -700.656 Base-Backbone interact. energy: -0.349 local terms energy: -748.955668 where: bonds (distance) C4'-P energy: -144.375 bonds (distance) P-C4' energy: -162.291 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -101.888 tors. eta vs tors. theta energy: -177.463 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1975.586473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.586473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.586473 (E_RNA) where: Base-Base interactions energy: -1264.387 where: short stacking energy: -590.090 Base-Backbone interact. energy: 2.753 local terms energy: -713.952529 where: bonds (distance) C4'-P energy: -145.235 bonds (distance) P-C4' energy: -152.764 flat angles C4'-P-C4' energy: -165.193 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -140.384 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: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1901.294136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.294136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.294136 (E_RNA) where: Base-Base interactions energy: -1246.602 where: short stacking energy: -579.575 Base-Backbone interact. energy: 0.040 local terms energy: -654.731859 where: bonds (distance) C4'-P energy: -155.980 bonds (distance) P-C4' energy: -131.933 flat angles C4'-P-C4' energy: -153.445 flat angles P-C4'-P energy: -102.665 tors. eta vs tors. theta energy: -110.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1831.579173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.579173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.579173 (E_RNA) where: Base-Base interactions energy: -1151.220 where: short stacking energy: -557.285 Base-Backbone interact. energy: -2.430 local terms energy: -677.928447 where: bonds (distance) C4'-P energy: -143.021 bonds (distance) P-C4' energy: -152.189 flat angles C4'-P-C4' energy: -130.775 flat angles P-C4'-P energy: -112.015 tors. eta vs tors. theta energy: -139.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1611.784994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.784994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.784994 (E_RNA) where: Base-Base interactions energy: -1038.068 where: short stacking energy: -488.194 Base-Backbone interact. energy: -1.185 local terms energy: -572.531393 where: bonds (distance) C4'-P energy: -122.255 bonds (distance) P-C4' energy: -140.515 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -66.585 tors. eta vs tors. theta energy: -108.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1301.096953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.096953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.096953 (E_RNA) where: Base-Base interactions energy: -789.148 where: short stacking energy: -385.106 Base-Backbone interact. energy: 7.800 local terms energy: -519.748774 where: bonds (distance) C4'-P energy: -119.076 bonds (distance) P-C4' energy: -144.363 flat angles C4'-P-C4' energy: -126.114 flat angles P-C4'-P energy: -73.385 tors. eta vs tors. theta energy: -56.811 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: 56 Temperature: 1.350000 Total energy: -1075.903083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.903083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.903083 (E_RNA) where: Base-Base interactions energy: -647.354 where: short stacking energy: -329.009 Base-Backbone interact. energy: -1.296 local terms energy: -427.253764 where: bonds (distance) C4'-P energy: -115.632 bonds (distance) P-C4' energy: -116.041 flat angles C4'-P-C4' energy: -111.195 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -24.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2736.594630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.594630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.594630 (E_RNA) where: Base-Base interactions energy: -1920.662 where: short stacking energy: -772.179 Base-Backbone interact. energy: 2.035 local terms energy: -817.967756 where: bonds (distance) C4'-P energy: -152.634 bonds (distance) P-C4' energy: -164.735 flat angles C4'-P-C4' energy: -175.862 flat angles P-C4'-P energy: -125.888 tors. eta vs tors. theta energy: -198.849 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: 57 Temperature: 0.950000 Total energy: -2457.493241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.493241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.493241 (E_RNA) where: Base-Base interactions energy: -1652.441 where: short stacking energy: -734.906 Base-Backbone interact. energy: -2.444 local terms energy: -802.607668 where: bonds (distance) C4'-P energy: -150.376 bonds (distance) P-C4' energy: -164.409 flat angles C4'-P-C4' energy: -177.211 flat angles P-C4'-P energy: -117.607 tors. eta vs tors. theta energy: -193.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2325.776880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.776880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.776880 (E_RNA) where: Base-Base interactions energy: -1529.040 where: short stacking energy: -703.202 Base-Backbone interact. energy: -2.775 local terms energy: -793.962635 where: bonds (distance) C4'-P energy: -147.760 bonds (distance) P-C4' energy: -161.490 flat angles C4'-P-C4' energy: -185.260 flat angles P-C4'-P energy: -106.765 tors. eta vs tors. theta energy: -192.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2280.542805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.542805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.542805 (E_RNA) where: Base-Base interactions energy: -1530.329 where: short stacking energy: -704.298 Base-Backbone interact. energy: -0.445 local terms energy: -749.768230 where: bonds (distance) C4'-P energy: -146.247 bonds (distance) P-C4' energy: -162.412 flat angles C4'-P-C4' energy: -165.785 flat angles P-C4'-P energy: -104.919 tors. eta vs tors. theta energy: -170.405 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: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1972.616277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.616277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.616277 (E_RNA) where: Base-Base interactions energy: -1263.953 where: short stacking energy: -582.874 Base-Backbone interact. energy: 1.562 local terms energy: -710.224722 where: bonds (distance) C4'-P energy: -146.432 bonds (distance) P-C4' energy: -156.413 flat angles C4'-P-C4' energy: -165.100 flat angles P-C4'-P energy: -107.644 tors. eta vs tors. theta energy: -134.636 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: 7 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1904.481127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.481127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.481127 (E_RNA) where: Base-Base interactions energy: -1280.531 where: short stacking energy: -615.794 Base-Backbone interact. energy: 0.661 local terms energy: -624.611034 where: bonds (distance) C4'-P energy: -115.160 bonds (distance) P-C4' energy: -142.722 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -83.831 tors. eta vs tors. theta energy: -134.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1809.503565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.503565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.503565 (E_RNA) where: Base-Base interactions energy: -1172.726 where: short stacking energy: -535.321 Base-Backbone interact. energy: -0.072 local terms energy: -636.706055 where: bonds (distance) C4'-P energy: -159.628 bonds (distance) P-C4' energy: -140.172 flat angles C4'-P-C4' energy: -127.353 flat angles P-C4'-P energy: -73.477 tors. eta vs tors. theta energy: -136.076 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: 8, replica: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1691.883148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.883148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.883148 (E_RNA) where: Base-Base interactions energy: -1100.920 where: short stacking energy: -542.490 Base-Backbone interact. energy: 3.339 local terms energy: -594.302136 where: bonds (distance) C4'-P energy: -143.901 bonds (distance) P-C4' energy: -131.556 flat angles C4'-P-C4' energy: -110.241 flat angles P-C4'-P energy: -75.242 tors. eta vs tors. theta energy: -133.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1339.980463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.980463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.980463 (E_RNA) where: Base-Base interactions energy: -827.431 where: short stacking energy: -402.325 Base-Backbone interact. energy: 0.018 local terms energy: -512.566969 where: bonds (distance) C4'-P energy: -136.931 bonds (distance) P-C4' energy: -128.039 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -77.643 tors. eta vs tors. theta energy: -53.974 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: 57 Temperature: 1.350000 Total energy: -1057.843098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.843098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.843098 (E_RNA) where: Base-Base interactions energy: -563.261 where: short stacking energy: -260.020 Base-Backbone interact. energy: -2.713 local terms energy: -491.869134 where: bonds (distance) C4'-P energy: -136.049 bonds (distance) P-C4' energy: -138.115 flat angles C4'-P-C4' energy: -124.353 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -18.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2780.419506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.419506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.419506 (E_RNA) where: Base-Base interactions energy: -1925.807 where: short stacking energy: -784.606 Base-Backbone interact. energy: -5.803 local terms energy: -848.809197 where: bonds (distance) C4'-P energy: -163.930 bonds (distance) P-C4' energy: -184.771 flat angles C4'-P-C4' energy: -185.794 flat angles P-C4'-P energy: -117.755 tors. eta vs tors. theta energy: -196.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2527.833094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.833094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.833094 (E_RNA) where: Base-Base interactions energy: -1726.945 where: short stacking energy: -774.240 Base-Backbone interact. energy: -3.588 local terms energy: -797.300368 where: bonds (distance) C4'-P energy: -151.353 bonds (distance) P-C4' energy: -161.826 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -208.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2313.654321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.654321 (E_RNA) where: Base-Base interactions energy: -1538.969 where: short stacking energy: -705.754 Base-Backbone interact. energy: -0.801 local terms energy: -773.884472 where: bonds (distance) C4'-P energy: -156.778 bonds (distance) P-C4' energy: -162.116 flat angles C4'-P-C4' energy: -179.567 flat angles P-C4'-P energy: -84.153 tors. eta vs tors. theta energy: -191.270 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: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2208.605492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.605492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.605492 (E_RNA) where: Base-Base interactions energy: -1464.251 where: short stacking energy: -665.652 Base-Backbone interact. energy: -1.066 local terms energy: -743.288580 where: bonds (distance) C4'-P energy: -154.137 bonds (distance) P-C4' energy: -154.378 flat angles C4'-P-C4' energy: -153.295 flat angles P-C4'-P energy: -117.395 tors. eta vs tors. theta energy: -164.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1991.659164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.659164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.659164 (E_RNA) where: Base-Base interactions energy: -1322.620 where: short stacking energy: -654.764 Base-Backbone interact. energy: 0.159 local terms energy: -669.197735 where: bonds (distance) C4'-P energy: -137.805 bonds (distance) P-C4' energy: -146.554 flat angles C4'-P-C4' energy: -146.846 flat angles P-C4'-P energy: -92.089 tors. eta vs tors. theta energy: -145.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1965.838774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.838774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.838774 (E_RNA) where: Base-Base interactions energy: -1289.546 where: short stacking energy: -610.808 Base-Backbone interact. energy: -1.145 local terms energy: -675.147323 where: bonds (distance) C4'-P energy: -128.907 bonds (distance) P-C4' energy: -153.161 flat angles C4'-P-C4' energy: -144.175 flat angles P-C4'-P energy: -106.395 tors. eta vs tors. theta energy: -142.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1774.254871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.254871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.254871 (E_RNA) where: Base-Base interactions energy: -1135.780 where: short stacking energy: -510.879 Base-Backbone interact. energy: -1.569 local terms energy: -636.906408 where: bonds (distance) C4'-P energy: -152.903 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -142.506 flat angles P-C4'-P energy: -85.314 tors. eta vs tors. theta energy: -108.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1666.948302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.948302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.948302 (E_RNA) where: Base-Base interactions energy: -1088.922 where: short stacking energy: -494.910 Base-Backbone interact. energy: 7.035 local terms energy: -585.061589 where: bonds (distance) C4'-P energy: -119.800 bonds (distance) P-C4' energy: -152.588 flat angles C4'-P-C4' energy: -131.577 flat angles P-C4'-P energy: -90.415 tors. eta vs tors. theta energy: -90.682 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: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1341.028851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.028851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.028851 (E_RNA) where: Base-Base interactions energy: -820.436 where: short stacking energy: -402.420 Base-Backbone interact. energy: -3.644 local terms energy: -516.949016 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -141.471 flat angles C4'-P-C4' energy: -117.362 flat angles P-C4'-P energy: -92.435 tors. eta vs tors. theta energy: -48.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1040.659825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.659825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.659825 (E_RNA) where: Base-Base interactions energy: -556.588 where: short stacking energy: -281.622 Base-Backbone interact. energy: 1.625 local terms energy: -485.697317 where: bonds (distance) C4'-P energy: -132.149 bonds (distance) P-C4' energy: -155.454 flat angles C4'-P-C4' energy: -125.561 flat angles P-C4'-P energy: -57.781 tors. eta vs tors. theta energy: -14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2744.127682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.127682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.127682 (E_RNA) where: Base-Base interactions energy: -1923.161 where: short stacking energy: -797.604 Base-Backbone interact. energy: -0.162 local terms energy: -820.804372 where: bonds (distance) C4'-P energy: -156.299 bonds (distance) P-C4' energy: -169.021 flat angles C4'-P-C4' energy: -172.280 flat angles P-C4'-P energy: -119.375 tors. eta vs tors. theta energy: -203.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2485.208738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.208738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.208738 (E_RNA) where: Base-Base interactions energy: -1661.282 where: short stacking energy: -748.975 Base-Backbone interact. energy: -1.617 local terms energy: -822.309976 where: bonds (distance) C4'-P energy: -179.281 bonds (distance) P-C4' energy: -173.311 flat angles C4'-P-C4' energy: -168.887 flat angles P-C4'-P energy: -105.652 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: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2356.410208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.410208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.410208 (E_RNA) where: Base-Base interactions energy: -1561.187 where: short stacking energy: -742.773 Base-Backbone interact. energy: 2.490 local terms energy: -797.712425 where: bonds (distance) C4'-P energy: -158.443 bonds (distance) P-C4' energy: -160.442 flat angles C4'-P-C4' energy: -176.620 flat angles P-C4'-P energy: -114.381 tors. eta vs tors. theta energy: -187.826 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: 59 Temperature: 1.050000 Total energy: -2233.854572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.854572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.854572 (E_RNA) where: Base-Base interactions energy: -1494.978 where: short stacking energy: -687.817 Base-Backbone interact. energy: 0.951 local terms energy: -739.827195 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -164.017 flat angles C4'-P-C4' energy: -172.769 flat angles P-C4'-P energy: -103.015 tors. eta vs tors. theta energy: -153.520 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: 3 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2032.504923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.504923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.504923 (E_RNA) where: Base-Base interactions energy: -1307.615 where: short stacking energy: -633.447 Base-Backbone interact. energy: -1.626 local terms energy: -723.264131 where: bonds (distance) C4'-P energy: -152.333 bonds (distance) P-C4' energy: -148.932 flat angles C4'-P-C4' energy: -171.826 flat angles P-C4'-P energy: -104.666 tors. eta vs tors. theta energy: -145.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1936.926469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.926469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.926469 (E_RNA) where: Base-Base interactions energy: -1263.039 where: short stacking energy: -586.593 Base-Backbone interact. energy: -0.059 local terms energy: -673.828108 where: bonds (distance) C4'-P energy: -144.151 bonds (distance) P-C4' energy: -152.373 flat angles C4'-P-C4' energy: -151.485 flat angles P-C4'-P energy: -84.165 tors. eta vs tors. theta energy: -141.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1859.732180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.732180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.732180 (E_RNA) where: Base-Base interactions energy: -1202.272 where: short stacking energy: -547.494 Base-Backbone interact. energy: 3.787 local terms energy: -661.247425 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -152.994 flat angles C4'-P-C4' energy: -159.226 flat angles P-C4'-P energy: -99.893 tors. eta vs tors. theta energy: -111.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1680.844538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.844538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.844538 (E_RNA) where: Base-Base interactions energy: -1052.674 where: short stacking energy: -480.363 Base-Backbone interact. energy: -4.195 local terms energy: -623.974900 where: bonds (distance) C4'-P energy: -138.183 bonds (distance) P-C4' energy: -141.991 flat angles C4'-P-C4' energy: -153.202 flat angles P-C4'-P energy: -97.236 tors. eta vs tors. theta energy: -93.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1356.451759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.451759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.451759 (E_RNA) where: Base-Base interactions energy: -815.708 where: short stacking energy: -396.155 Base-Backbone interact. energy: 1.349 local terms energy: -542.092931 where: bonds (distance) C4'-P energy: -136.288 bonds (distance) P-C4' energy: -136.397 flat angles C4'-P-C4' energy: -120.755 flat angles P-C4'-P energy: -89.015 tors. eta vs tors. theta energy: -59.638 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: 59 Temperature: 1.350000 Total energy: -1095.998963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.998963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.998963 (E_RNA) where: Base-Base interactions energy: -625.893 where: short stacking energy: -339.860 Base-Backbone interact. energy: 2.886 local terms energy: -472.991970 where: bonds (distance) C4'-P energy: -121.343 bonds (distance) P-C4' energy: -136.757 flat angles C4'-P-C4' energy: -127.047 flat angles P-C4'-P energy: -64.558 tors. eta vs tors. theta energy: -23.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2747.934877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.934877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.934877 (E_RNA) where: Base-Base interactions energy: -1917.642 where: short stacking energy: -799.296 Base-Backbone interact. energy: -2.007 local terms energy: -828.285860 where: bonds (distance) C4'-P energy: -147.190 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -182.213 flat angles P-C4'-P energy: -122.333 tors. eta vs tors. theta energy: -204.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2523.198460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.198460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.198460 (E_RNA) where: Base-Base interactions energy: -1729.469 where: short stacking energy: -731.162 Base-Backbone interact. energy: -4.837 local terms energy: -788.892468 where: bonds (distance) C4'-P energy: -145.749 bonds (distance) P-C4' energy: -167.227 flat angles C4'-P-C4' energy: -187.290 flat angles P-C4'-P energy: -105.996 tors. eta vs tors. theta energy: -182.631 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: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2369.917878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2369.917878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2369.917878 (E_RNA) where: Base-Base interactions energy: -1582.284 where: short stacking energy: -728.474 Base-Backbone interact. energy: -2.856 local terms energy: -784.778541 where: bonds (distance) C4'-P energy: -166.539 bonds (distance) P-C4' energy: -153.430 flat angles C4'-P-C4' energy: -163.280 flat angles P-C4'-P energy: -117.910 tors. eta vs tors. theta energy: -183.620 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: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2233.106728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.106728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.106728 (E_RNA) where: Base-Base interactions energy: -1477.434 where: short stacking energy: -677.643 Base-Backbone interact. energy: -1.994 local terms energy: -753.679217 where: bonds (distance) C4'-P energy: -151.911 bonds (distance) P-C4' energy: -171.583 flat angles C4'-P-C4' energy: -162.681 flat angles P-C4'-P energy: -102.277 tors. eta vs tors. theta energy: -165.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2065.111117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.111117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.111117 (E_RNA) where: Base-Base interactions energy: -1354.458 where: short stacking energy: -645.294 Base-Backbone interact. energy: 2.833 local terms energy: -713.486491 where: bonds (distance) C4'-P energy: -148.211 bonds (distance) P-C4' energy: -144.452 flat angles C4'-P-C4' energy: -164.181 flat angles P-C4'-P energy: -97.351 tors. eta vs tors. theta energy: -159.292 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: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1934.703253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.703253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.703253 (E_RNA) where: Base-Base interactions energy: -1253.878 where: short stacking energy: -570.015 Base-Backbone interact. energy: -0.981 local terms energy: -679.844297 where: bonds (distance) C4'-P energy: -132.801 bonds (distance) P-C4' energy: -143.428 flat angles C4'-P-C4' energy: -152.112 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -139.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1824.582313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.582313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.582313 (E_RNA) where: Base-Base interactions energy: -1160.681 where: short stacking energy: -510.329 Base-Backbone interact. energy: 3.907 local terms energy: -667.808142 where: bonds (distance) C4'-P energy: -166.690 bonds (distance) P-C4' energy: -169.545 flat angles C4'-P-C4' energy: -139.558 flat angles P-C4'-P energy: -75.945 tors. eta vs tors. theta energy: -116.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1755.642357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.642357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.642357 (E_RNA) where: Base-Base interactions energy: -1151.118 where: short stacking energy: -540.467 Base-Backbone interact. energy: 4.588 local terms energy: -609.112140 where: bonds (distance) C4'-P energy: -129.779 bonds (distance) P-C4' energy: -124.840 flat angles C4'-P-C4' energy: -158.196 flat angles P-C4'-P energy: -80.324 tors. eta vs tors. theta energy: -115.973 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: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1275.054110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.054110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.054110 (E_RNA) where: Base-Base interactions energy: -731.390 where: short stacking energy: -350.453 Base-Backbone interact. energy: 4.983 local terms energy: -548.646974 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -151.259 flat angles C4'-P-C4' energy: -146.746 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -35.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1008.729398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.729398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.729398 (E_RNA) where: Base-Base interactions energy: -561.336 where: short stacking energy: -300.167 Base-Backbone interact. energy: -0.049 local terms energy: -447.345220 where: bonds (distance) C4'-P energy: -128.573 bonds (distance) P-C4' energy: -124.676 flat angles C4'-P-C4' energy: -130.110 flat angles P-C4'-P energy: -63.521 tors. eta vs tors. theta energy: -0.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2751.023758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.023758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.023758 (E_RNA) where: Base-Base interactions energy: -1887.506 where: short stacking energy: -782.047 Base-Backbone interact. energy: -4.874 local terms energy: -858.643783 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -169.775 flat angles C4'-P-C4' energy: -193.574 flat angles P-C4'-P energy: -130.844 tors. eta vs tors. theta energy: -205.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2500.231082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.231082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.231082 (E_RNA) where: Base-Base interactions energy: -1668.228 where: short stacking energy: -718.304 Base-Backbone interact. energy: -5.112 local terms energy: -826.891246 where: bonds (distance) C4'-P energy: -169.588 bonds (distance) P-C4' energy: -178.850 flat angles C4'-P-C4' energy: -174.382 flat angles P-C4'-P energy: -112.686 tors. eta vs tors. theta energy: -191.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2399.953255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.953255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.953255 (E_RNA) where: Base-Base interactions energy: -1631.715 where: short stacking energy: -743.011 Base-Backbone interact. energy: -2.055 local terms energy: -766.182432 where: bonds (distance) C4'-P energy: -144.770 bonds (distance) P-C4' energy: -153.900 flat angles C4'-P-C4' energy: -167.132 flat angles P-C4'-P energy: -121.577 tors. eta vs tors. theta energy: -178.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2239.921263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.921263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.921263 (E_RNA) where: Base-Base interactions energy: -1483.683 where: short stacking energy: -720.903 Base-Backbone interact. energy: 0.495 local terms energy: -756.733226 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -157.778 flat angles C4'-P-C4' energy: -159.639 flat angles P-C4'-P energy: -107.659 tors. eta vs tors. theta energy: -190.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2025.415836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.415836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.415836 (E_RNA) where: Base-Base interactions energy: -1333.264 where: short stacking energy: -624.391 Base-Backbone interact. energy: -0.988 local terms energy: -691.163796 where: bonds (distance) C4'-P energy: -137.641 bonds (distance) P-C4' energy: -155.300 flat angles C4'-P-C4' energy: -148.682 flat angles P-C4'-P energy: -104.359 tors. eta vs tors. theta energy: -145.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2019.468052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.468052 (E_RNA) where: Base-Base interactions energy: -1321.251 where: short stacking energy: -635.261 Base-Backbone interact. energy: 3.126 local terms energy: -701.342700 where: bonds (distance) C4'-P energy: -155.684 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -143.736 flat angles P-C4'-P energy: -101.001 tors. eta vs tors. theta energy: -151.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1732.945214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.945214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.945214 (E_RNA) where: Base-Base interactions energy: -1129.987 where: short stacking energy: -506.829 Base-Backbone interact. energy: -0.324 local terms energy: -602.634657 where: bonds (distance) C4'-P energy: -137.909 bonds (distance) P-C4' energy: -127.199 flat angles C4'-P-C4' energy: -144.645 flat angles P-C4'-P energy: -90.666 tors. eta vs tors. theta energy: -102.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1777.958107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.958107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.958107 (E_RNA) where: Base-Base interactions energy: -1144.456 where: short stacking energy: -507.658 Base-Backbone interact. energy: -3.068 local terms energy: -630.433395 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -149.483 flat angles C4'-P-C4' energy: -142.380 flat angles P-C4'-P energy: -89.215 tors. eta vs tors. theta energy: -109.752 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: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1254.211190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.211190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.211190 (E_RNA) where: Base-Base interactions energy: -729.023 where: short stacking energy: -379.167 Base-Backbone interact. energy: 2.640 local terms energy: -527.827730 where: bonds (distance) C4'-P energy: -135.514 bonds (distance) P-C4' energy: -117.169 flat angles C4'-P-C4' energy: -147.642 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -61.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1034.884567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.884567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.884567 (E_RNA) where: Base-Base interactions energy: -565.476 where: short stacking energy: -294.727 Base-Backbone interact. energy: -1.505 local terms energy: -467.903857 where: bonds (distance) C4'-P energy: -128.173 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -103.547 flat angles P-C4'-P energy: -73.324 tors. eta vs tors. theta energy: -23.712 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: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2715.568456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.568456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.568456 (E_RNA) where: Base-Base interactions energy: -1896.070 where: short stacking energy: -765.163 Base-Backbone interact. energy: 1.042 local terms energy: -820.540117 where: bonds (distance) C4'-P energy: -165.850 bonds (distance) P-C4' energy: -161.605 flat angles C4'-P-C4' energy: -179.210 flat angles P-C4'-P energy: -118.313 tors. eta vs tors. theta energy: -195.563 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: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2498.633066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.633066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.633066 (E_RNA) where: Base-Base interactions energy: -1703.658 where: short stacking energy: -794.699 Base-Backbone interact. energy: -1.310 local terms energy: -793.665186 where: bonds (distance) C4'-P energy: -148.896 bonds (distance) P-C4' energy: -149.391 flat angles C4'-P-C4' energy: -175.277 flat angles P-C4'-P energy: -115.485 tors. eta vs tors. theta energy: -204.615 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: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2389.238099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.238099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.238099 (E_RNA) where: Base-Base interactions energy: -1589.287 where: short stacking energy: -699.447 Base-Backbone interact. energy: -3.906 local terms energy: -796.045177 where: bonds (distance) C4'-P energy: -155.730 bonds (distance) P-C4' energy: -167.208 flat angles C4'-P-C4' energy: -177.369 flat angles P-C4'-P energy: -120.825 tors. eta vs tors. theta energy: -174.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2255.447011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.447011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.447011 (E_RNA) where: Base-Base interactions energy: -1490.378 where: short stacking energy: -719.693 Base-Backbone interact. energy: 0.582 local terms energy: -765.651041 where: bonds (distance) C4'-P energy: -155.025 bonds (distance) P-C4' energy: -152.598 flat angles C4'-P-C4' energy: -168.651 flat angles P-C4'-P energy: -103.230 tors. eta vs tors. theta energy: -186.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2092.708414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.708414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.708414 (E_RNA) where: Base-Base interactions energy: -1376.130 where: short stacking energy: -660.710 Base-Backbone interact. energy: -2.304 local terms energy: -714.274148 where: bonds (distance) C4'-P energy: -123.510 bonds (distance) P-C4' energy: -150.779 flat angles C4'-P-C4' energy: -178.122 flat angles P-C4'-P energy: -106.550 tors. eta vs tors. theta energy: -155.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1939.510314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.510314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.510314 (E_RNA) where: Base-Base interactions energy: -1258.501 where: short stacking energy: -608.518 Base-Backbone interact. energy: -0.178 local terms energy: -680.831588 where: bonds (distance) C4'-P energy: -139.339 bonds (distance) P-C4' energy: -139.972 flat angles C4'-P-C4' energy: -158.234 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -143.966 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: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1733.660139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.660139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.660139 (E_RNA) where: Base-Base interactions energy: -1109.257 where: short stacking energy: -521.641 Base-Backbone interact. energy: -2.263 local terms energy: -622.140399 where: bonds (distance) C4'-P energy: -121.283 bonds (distance) P-C4' energy: -142.499 flat angles C4'-P-C4' energy: -136.954 flat angles P-C4'-P energy: -100.101 tors. eta vs tors. theta energy: -121.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1695.487777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.487777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.487777 (E_RNA) where: Base-Base interactions energy: -1101.181 where: short stacking energy: -500.949 Base-Backbone interact. energy: -0.141 local terms energy: -594.165531 where: bonds (distance) C4'-P energy: -113.965 bonds (distance) P-C4' energy: -139.631 flat angles C4'-P-C4' energy: -135.603 flat angles P-C4'-P energy: -98.932 tors. eta vs tors. theta energy: -106.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1392.326784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.326784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.326784 (E_RNA) where: Base-Base interactions energy: -858.033 where: short stacking energy: -436.103 Base-Backbone interact. energy: -1.225 local terms energy: -533.068930 where: bonds (distance) C4'-P energy: -119.620 bonds (distance) P-C4' energy: -128.478 flat angles C4'-P-C4' energy: -130.832 flat angles P-C4'-P energy: -66.746 tors. eta vs tors. theta energy: -87.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1101.428188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.428188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.428188 (E_RNA) where: Base-Base interactions energy: -627.559 where: short stacking energy: -328.063 Base-Backbone interact. energy: 1.980 local terms energy: -475.849304 where: bonds (distance) C4'-P energy: -134.970 bonds (distance) P-C4' energy: -130.870 flat angles C4'-P-C4' energy: -113.567 flat angles P-C4'-P energy: -59.031 tors. eta vs tors. theta energy: -37.411 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: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2751.561223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.561223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.561223 (E_RNA) where: Base-Base interactions energy: -1935.353 where: short stacking energy: -778.772 Base-Backbone interact. energy: -5.789 local terms energy: -810.419587 where: bonds (distance) C4'-P energy: -164.028 bonds (distance) P-C4' energy: -164.073 flat angles C4'-P-C4' energy: -159.766 flat angles P-C4'-P energy: -125.232 tors. eta vs tors. theta energy: -197.321 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: 63 Temperature: 0.950000 Total energy: -2492.231411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.231411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.231411 (E_RNA) where: Base-Base interactions energy: -1666.430 where: short stacking energy: -773.672 Base-Backbone interact. energy: 4.179 local terms energy: -829.979821 where: bonds (distance) C4'-P energy: -152.398 bonds (distance) P-C4' energy: -173.072 flat angles C4'-P-C4' energy: -182.645 flat angles P-C4'-P energy: -124.975 tors. eta vs tors. theta energy: -196.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2392.267786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.267786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.267786 (E_RNA) where: Base-Base interactions energy: -1604.336 where: short stacking energy: -737.799 Base-Backbone interact. energy: -2.128 local terms energy: -785.804225 where: bonds (distance) C4'-P energy: -148.814 bonds (distance) P-C4' energy: -163.010 flat angles C4'-P-C4' energy: -174.655 flat angles P-C4'-P energy: -109.696 tors. eta vs tors. theta energy: -189.629 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: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2217.726512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.726512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.726512 (E_RNA) where: Base-Base interactions energy: -1450.817 where: short stacking energy: -704.136 Base-Backbone interact. energy: -4.573 local terms energy: -762.336561 where: bonds (distance) C4'-P energy: -146.794 bonds (distance) P-C4' energy: -165.019 flat angles C4'-P-C4' energy: -165.137 flat angles P-C4'-P energy: -96.251 tors. eta vs tors. theta energy: -189.135 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: 5, replica: 7 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2036.737996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.737996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.737996 (E_RNA) where: Base-Base interactions energy: -1317.379 where: short stacking energy: -606.176 Base-Backbone interact. energy: -0.809 local terms energy: -718.549616 where: bonds (distance) C4'-P energy: -141.838 bonds (distance) P-C4' energy: -162.339 flat angles C4'-P-C4' energy: -149.189 flat angles P-C4'-P energy: -109.852 tors. eta vs tors. theta energy: -155.331 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: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1922.169730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.169730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.169730 (E_RNA) where: Base-Base interactions energy: -1284.561 where: short stacking energy: -607.371 Base-Backbone interact. energy: 4.097 local terms energy: -641.705537 where: bonds (distance) C4'-P energy: -130.355 bonds (distance) P-C4' energy: -130.278 flat angles C4'-P-C4' energy: -152.208 flat angles P-C4'-P energy: -93.689 tors. eta vs tors. theta energy: -135.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1739.424439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.424439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.424439 (E_RNA) where: Base-Base interactions energy: -1093.872 where: short stacking energy: -528.638 Base-Backbone interact. energy: 2.088 local terms energy: -647.639865 where: bonds (distance) C4'-P energy: -151.000 bonds (distance) P-C4' energy: -144.793 flat angles C4'-P-C4' energy: -141.520 flat angles P-C4'-P energy: -90.666 tors. eta vs tors. theta energy: -119.661 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: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1593.934732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.934732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.934732 (E_RNA) where: Base-Base interactions energy: -1016.244 where: short stacking energy: -468.361 Base-Backbone interact. energy: 0.250 local terms energy: -577.940406 where: bonds (distance) C4'-P energy: -108.739 bonds (distance) P-C4' energy: -148.194 flat angles C4'-P-C4' energy: -145.413 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -85.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1255.910757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.910757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.910757 (E_RNA) where: Base-Base interactions energy: -740.882 where: short stacking energy: -357.661 Base-Backbone interact. energy: -1.609 local terms energy: -513.418956 where: bonds (distance) C4'-P energy: -110.275 bonds (distance) P-C4' energy: -153.742 flat angles C4'-P-C4' energy: -125.995 flat angles P-C4'-P energy: -88.151 tors. eta vs tors. theta energy: -35.257 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: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1024.807527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.807527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.807527 (E_RNA) where: Base-Base interactions energy: -548.121 where: short stacking energy: -273.588 Base-Backbone interact. energy: 2.545 local terms energy: -479.231057 where: bonds (distance) C4'-P energy: -129.272 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -123.121 flat angles P-C4'-P energy: -68.443 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2756.214067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.214067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.214067 (E_RNA) where: Base-Base interactions energy: -1918.693 where: short stacking energy: -772.596 Base-Backbone interact. energy: -0.857 local terms energy: -836.663923 where: bonds (distance) C4'-P energy: -162.764 bonds (distance) P-C4' energy: -174.972 flat angles C4'-P-C4' energy: -185.873 flat angles P-C4'-P energy: -115.387 tors. eta vs tors. theta energy: -197.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2532.878654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.878654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.878654 (E_RNA) where: Base-Base interactions energy: -1709.856 where: short stacking energy: -768.934 Base-Backbone interact. energy: -5.269 local terms energy: -817.754215 where: bonds (distance) C4'-P energy: -150.295 bonds (distance) P-C4' energy: -172.643 flat angles C4'-P-C4' energy: -185.511 flat angles P-C4'-P energy: -113.611 tors. eta vs tors. theta energy: -195.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2385.084578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.084578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.084578 (E_RNA) where: Base-Base interactions energy: -1620.150 where: short stacking energy: -737.648 Base-Backbone interact. energy: 2.266 local terms energy: -767.200883 where: bonds (distance) C4'-P energy: -151.792 bonds (distance) P-C4' energy: -156.453 flat angles C4'-P-C4' energy: -169.639 flat angles P-C4'-P energy: -112.807 tors. eta vs tors. theta energy: -176.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2269.557054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.557054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.557054 (E_RNA) where: Base-Base interactions energy: -1522.465 where: short stacking energy: -683.409 Base-Backbone interact. energy: -1.345 local terms energy: -745.746555 where: bonds (distance) C4'-P energy: -157.408 bonds (distance) P-C4' energy: -153.231 flat angles C4'-P-C4' energy: -176.670 flat angles P-C4'-P energy: -94.647 tors. eta vs tors. theta energy: -163.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2061.567583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.567583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.567583 (E_RNA) where: Base-Base interactions energy: -1386.361 where: short stacking energy: -626.491 Base-Backbone interact. energy: 4.723 local terms energy: -679.929530 where: bonds (distance) C4'-P energy: -132.668 bonds (distance) P-C4' energy: -157.358 flat angles C4'-P-C4' energy: -148.285 flat angles P-C4'-P energy: -105.448 tors. eta vs tors. theta energy: -136.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1911.155807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.155807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.155807 (E_RNA) where: Base-Base interactions energy: -1236.408 where: short stacking energy: -613.529 Base-Backbone interact. energy: 4.739 local terms energy: -679.486975 where: bonds (distance) C4'-P energy: -143.529 bonds (distance) P-C4' energy: -145.948 flat angles C4'-P-C4' energy: -136.569 flat angles P-C4'-P energy: -107.886 tors. eta vs tors. theta energy: -145.555 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1791.828544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.828544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.828544 (E_RNA) where: Base-Base interactions energy: -1170.717 where: short stacking energy: -554.763 Base-Backbone interact. energy: -1.988 local terms energy: -619.123292 where: bonds (distance) C4'-P energy: -127.733 bonds (distance) P-C4' energy: -133.843 flat angles C4'-P-C4' energy: -157.967 flat angles P-C4'-P energy: -89.376 tors. eta vs tors. theta energy: -110.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1565.055636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.055636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.055636 (E_RNA) where: Base-Base interactions energy: -975.657 where: short stacking energy: -474.515 Base-Backbone interact. energy: -4.522 local terms energy: -584.876606 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -134.984 flat angles C4'-P-C4' energy: -146.519 flat angles P-C4'-P energy: -85.346 tors. eta vs tors. theta energy: -82.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1265.300134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.300134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.300134 (E_RNA) where: Base-Base interactions energy: -767.401 where: short stacking energy: -361.409 Base-Backbone interact. energy: -2.119 local terms energy: -495.780420 where: bonds (distance) C4'-P energy: -126.471 bonds (distance) P-C4' energy: -135.753 flat angles C4'-P-C4' energy: -128.359 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -31.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1004.300567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.300567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.300567 (E_RNA) where: Base-Base interactions energy: -578.314 where: short stacking energy: -308.387 Base-Backbone interact. energy: 8.130 local terms energy: -434.116591 where: bonds (distance) C4'-P energy: -124.072 bonds (distance) P-C4' energy: -110.688 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -72.632 tors. eta vs tors. theta energy: 1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2712.579139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.579139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.579139 (E_RNA) where: Base-Base interactions energy: -1854.467 where: short stacking energy: -744.045 Base-Backbone interact. energy: -5.524 local terms energy: -852.587886 where: bonds (distance) C4'-P energy: -165.406 bonds (distance) P-C4' energy: -177.769 flat angles C4'-P-C4' energy: -182.782 flat angles P-C4'-P energy: -131.020 tors. eta vs tors. theta energy: -195.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2519.556055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.556055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.556055 (E_RNA) where: Base-Base interactions energy: -1717.329 where: short stacking energy: -734.721 Base-Backbone interact. energy: 2.202 local terms energy: -804.428892 where: bonds (distance) C4'-P energy: -170.010 bonds (distance) P-C4' energy: -164.446 flat angles C4'-P-C4' energy: -162.943 flat angles P-C4'-P energy: -117.510 tors. eta vs tors. theta energy: -189.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2407.790118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.790118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.790118 (E_RNA) where: Base-Base interactions energy: -1627.907 where: short stacking energy: -735.827 Base-Backbone interact. energy: 3.047 local terms energy: -782.929169 where: bonds (distance) C4'-P energy: -148.895 bonds (distance) P-C4' energy: -163.084 flat angles C4'-P-C4' energy: -182.711 flat angles P-C4'-P energy: -98.405 tors. eta vs tors. theta energy: -189.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2244.475654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.475654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.475654 (E_RNA) where: Base-Base interactions energy: -1501.795 where: short stacking energy: -674.881 Base-Backbone interact. energy: 0.655 local terms energy: -743.335566 where: bonds (distance) C4'-P energy: -159.041 bonds (distance) P-C4' energy: -134.120 flat angles C4'-P-C4' energy: -163.669 flat angles P-C4'-P energy: -118.726 tors. eta vs tors. theta energy: -167.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2031.364110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.364110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.364110 (E_RNA) where: Base-Base interactions energy: -1348.563 where: short stacking energy: -614.463 Base-Backbone interact. energy: 0.595 local terms energy: -683.395428 where: bonds (distance) C4'-P energy: -134.985 bonds (distance) P-C4' energy: -165.857 flat angles C4'-P-C4' energy: -149.308 flat angles P-C4'-P energy: -88.985 tors. eta vs tors. theta energy: -144.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1902.007931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.007931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.007931 (E_RNA) where: Base-Base interactions energy: -1227.554 where: short stacking energy: -601.404 Base-Backbone interact. energy: 2.971 local terms energy: -677.424763 where: bonds (distance) C4'-P energy: -127.444 bonds (distance) P-C4' energy: -136.888 flat angles C4'-P-C4' energy: -174.011 flat angles P-C4'-P energy: -95.107 tors. eta vs tors. theta energy: -143.975 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: 7, replica: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1761.464644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.464644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.464644 (E_RNA) where: Base-Base interactions energy: -1118.903 where: short stacking energy: -531.140 Base-Backbone interact. energy: -0.019 local terms energy: -642.543188 where: bonds (distance) C4'-P energy: -134.380 bonds (distance) P-C4' energy: -146.077 flat angles C4'-P-C4' energy: -155.204 flat angles P-C4'-P energy: -99.602 tors. eta vs tors. theta energy: -107.281 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: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1614.392617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.392617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.392617 (E_RNA) where: Base-Base interactions energy: -1042.675 where: short stacking energy: -473.908 Base-Backbone interact. energy: -2.475 local terms energy: -569.241869 where: bonds (distance) C4'-P energy: -126.970 bonds (distance) P-C4' energy: -148.287 flat angles C4'-P-C4' energy: -123.861 flat angles P-C4'-P energy: -82.755 tors. eta vs tors. theta energy: -87.368 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1302.064081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.064081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.064081 (E_RNA) where: Base-Base interactions energy: -803.315 where: short stacking energy: -391.626 Base-Backbone interact. energy: 3.572 local terms energy: -502.321461 where: bonds (distance) C4'-P energy: -122.236 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -127.621 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -45.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1052.423858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.423858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.423858 (E_RNA) where: Base-Base interactions energy: -589.479 where: short stacking energy: -289.714 Base-Backbone interact. energy: -6.155 local terms energy: -456.789688 where: bonds (distance) C4'-P energy: -137.921 bonds (distance) P-C4' energy: -130.474 flat angles C4'-P-C4' energy: -109.731 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -8.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2713.470769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.470769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.470769 (E_RNA) where: Base-Base interactions energy: -1899.224 where: short stacking energy: -784.611 Base-Backbone interact. energy: -4.940 local terms energy: -809.306554 where: bonds (distance) C4'-P energy: -156.863 bonds (distance) P-C4' energy: -163.787 flat angles C4'-P-C4' energy: -177.083 flat angles P-C4'-P energy: -117.592 tors. eta vs tors. theta energy: -193.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2581.991513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.991513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.991513 (E_RNA) where: Base-Base interactions energy: -1741.843 where: short stacking energy: -770.833 Base-Backbone interact. energy: -2.610 local terms energy: -837.538929 where: bonds (distance) C4'-P energy: -177.784 bonds (distance) P-C4' energy: -157.198 flat angles C4'-P-C4' energy: -187.158 flat angles P-C4'-P energy: -119.609 tors. eta vs tors. theta energy: -195.790 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: 66 Temperature: 1.000000 Total energy: -2402.526135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.526135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.526135 (E_RNA) where: Base-Base interactions energy: -1623.908 where: short stacking energy: -733.133 Base-Backbone interact. energy: -3.879 local terms energy: -774.738961 where: bonds (distance) C4'-P energy: -153.598 bonds (distance) P-C4' energy: -148.361 flat angles C4'-P-C4' energy: -178.550 flat angles P-C4'-P energy: -109.072 tors. eta vs tors. theta energy: -185.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2207.939285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.939285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.939285 (E_RNA) where: Base-Base interactions energy: -1431.057 where: short stacking energy: -670.489 Base-Backbone interact. energy: -4.175 local terms energy: -772.707488 where: bonds (distance) C4'-P energy: -153.933 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -163.880 flat angles P-C4'-P energy: -126.411 tors. eta vs tors. theta energy: -175.070 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: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2031.548128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.548128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.548128 (E_RNA) where: Base-Base interactions energy: -1337.517 where: short stacking energy: -631.129 Base-Backbone interact. energy: -2.470 local terms energy: -691.561889 where: bonds (distance) C4'-P energy: -140.526 bonds (distance) P-C4' energy: -145.345 flat angles C4'-P-C4' energy: -168.663 flat angles P-C4'-P energy: -104.802 tors. eta vs tors. theta energy: -132.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2104.282551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.282551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.282551 (E_RNA) where: Base-Base interactions energy: -1363.479 where: short stacking energy: -682.515 Base-Backbone interact. energy: -2.785 local terms energy: -738.018727 where: bonds (distance) C4'-P energy: -140.143 bonds (distance) P-C4' energy: -167.889 flat angles C4'-P-C4' energy: -151.779 flat angles P-C4'-P energy: -103.490 tors. eta vs tors. theta energy: -174.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1718.482969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.482969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.482969 (E_RNA) where: Base-Base interactions energy: -1099.356 where: short stacking energy: -516.015 Base-Backbone interact. energy: -0.724 local terms energy: -618.402610 where: bonds (distance) C4'-P energy: -150.429 bonds (distance) P-C4' energy: -129.563 flat angles C4'-P-C4' energy: -148.503 flat angles P-C4'-P energy: -92.829 tors. eta vs tors. theta energy: -97.080 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: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1561.092455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.092455 (E_RNA) where: Base-Base interactions energy: -972.548 where: short stacking energy: -451.424 Base-Backbone interact. energy: 4.067 local terms energy: -592.610689 where: bonds (distance) C4'-P energy: -129.290 bonds (distance) P-C4' energy: -154.263 flat angles C4'-P-C4' energy: -139.571 flat angles P-C4'-P energy: -90.474 tors. eta vs tors. theta energy: -79.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1319.269550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.269550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.269550 (E_RNA) where: Base-Base interactions energy: -795.956 where: short stacking energy: -363.771 Base-Backbone interact. energy: -1.333 local terms energy: -521.979646 where: bonds (distance) C4'-P energy: -116.549 bonds (distance) P-C4' energy: -147.467 flat angles C4'-P-C4' energy: -129.482 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -53.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1140.504666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.504666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.504666 (E_RNA) where: Base-Base interactions energy: -665.415 where: short stacking energy: -339.498 Base-Backbone interact. energy: 2.123 local terms energy: -477.212881 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -122.391 flat angles C4'-P-C4' energy: -120.384 flat angles P-C4'-P energy: -67.681 tors. eta vs tors. theta energy: -22.184 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: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2704.053293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.053293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.053293 (E_RNA) where: Base-Base interactions energy: -1872.210 where: short stacking energy: -772.375 Base-Backbone interact. energy: -1.080 local terms energy: -830.763014 where: bonds (distance) C4'-P energy: -160.763 bonds (distance) P-C4' energy: -176.376 flat angles C4'-P-C4' energy: -188.392 flat angles P-C4'-P energy: -121.615 tors. eta vs tors. theta energy: -183.616 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: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2593.557919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.557919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.557919 (E_RNA) where: Base-Base interactions energy: -1752.253 where: short stacking energy: -774.422 Base-Backbone interact. energy: -3.706 local terms energy: -837.599111 where: bonds (distance) C4'-P energy: -150.603 bonds (distance) P-C4' energy: -185.655 flat angles C4'-P-C4' energy: -176.570 flat angles P-C4'-P energy: -111.533 tors. eta vs tors. theta energy: -213.239 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: 67 Temperature: 1.000000 Total energy: -2447.595515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.595515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.595515 (E_RNA) where: Base-Base interactions energy: -1660.566 where: short stacking energy: -757.680 Base-Backbone interact. energy: -2.163 local terms energy: -784.867135 where: bonds (distance) C4'-P energy: -139.687 bonds (distance) P-C4' energy: -166.909 flat angles C4'-P-C4' energy: -189.272 flat angles P-C4'-P energy: -94.569 tors. eta vs tors. theta energy: -194.431 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: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2220.021257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.021257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.021257 (E_RNA) where: Base-Base interactions energy: -1468.586 where: short stacking energy: -703.274 Base-Backbone interact. energy: -0.154 local terms energy: -751.280912 where: bonds (distance) C4'-P energy: -167.528 bonds (distance) P-C4' energy: -147.223 flat angles C4'-P-C4' energy: -161.889 flat angles P-C4'-P energy: -94.851 tors. eta vs tors. theta energy: -179.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2094.453222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.453222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.453222 (E_RNA) where: Base-Base interactions energy: -1380.676 where: short stacking energy: -630.769 Base-Backbone interact. energy: -0.908 local terms energy: -712.869032 where: bonds (distance) C4'-P energy: -146.042 bonds (distance) P-C4' energy: -138.239 flat angles C4'-P-C4' energy: -177.430 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -149.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2048.427584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.427584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.427584 (E_RNA) where: Base-Base interactions energy: -1312.283 where: short stacking energy: -618.716 Base-Backbone interact. energy: -2.162 local terms energy: -733.982382 where: bonds (distance) C4'-P energy: -160.743 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -141.405 flat angles P-C4'-P energy: -114.343 tors. eta vs tors. theta energy: -160.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1746.551509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.551509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.551509 (E_RNA) where: Base-Base interactions energy: -1110.684 where: short stacking energy: -525.963 Base-Backbone interact. energy: -2.158 local terms energy: -633.708747 where: bonds (distance) C4'-P energy: -135.962 bonds (distance) P-C4' energy: -147.592 flat angles C4'-P-C4' energy: -142.914 flat angles P-C4'-P energy: -87.038 tors. eta vs tors. theta energy: -120.203 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: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1612.569256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.569256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.569256 (E_RNA) where: Base-Base interactions energy: -1017.872 where: short stacking energy: -471.087 Base-Backbone interact. energy: -0.708 local terms energy: -593.989955 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -136.590 flat angles C4'-P-C4' energy: -155.310 flat angles P-C4'-P energy: -86.102 tors. eta vs tors. theta energy: -82.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1371.902513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.902513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.902513 (E_RNA) where: Base-Base interactions energy: -818.957 where: short stacking energy: -394.731 Base-Backbone interact. energy: -2.647 local terms energy: -550.298536 where: bonds (distance) C4'-P energy: -134.972 bonds (distance) P-C4' energy: -142.404 flat angles C4'-P-C4' energy: -142.160 flat angles P-C4'-P energy: -81.369 tors. eta vs tors. theta energy: -49.394 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: 10 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1143.810841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.810841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.810841 (E_RNA) where: Base-Base interactions energy: -648.298 where: short stacking energy: -316.543 Base-Backbone interact. energy: -1.038 local terms energy: -494.475141 where: bonds (distance) C4'-P energy: -123.624 bonds (distance) P-C4' energy: -158.839 flat angles C4'-P-C4' energy: -115.792 flat angles P-C4'-P energy: -71.542 tors. eta vs tors. theta energy: -24.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -2695.165534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.165534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.165534 (E_RNA) where: Base-Base interactions energy: -1868.643 where: short stacking energy: -794.925 Base-Backbone interact. energy: -2.908 local terms energy: -823.614351 where: bonds (distance) C4'-P energy: -152.523 bonds (distance) P-C4' energy: -167.890 flat angles C4'-P-C4' energy: -183.119 flat angles P-C4'-P energy: -122.687 tors. eta vs tors. theta energy: -197.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2562.134991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.134991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.134991 (E_RNA) where: Base-Base interactions energy: -1731.993 where: short stacking energy: -737.478 Base-Backbone interact. energy: -0.075 local terms energy: -830.067104 where: bonds (distance) C4'-P energy: -169.174 bonds (distance) P-C4' energy: -173.944 flat angles C4'-P-C4' energy: -179.410 flat angles P-C4'-P energy: -109.575 tors. eta vs tors. theta energy: -197.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2433.490928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.490928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.490928 (E_RNA) where: Base-Base interactions energy: -1632.300 where: short stacking energy: -745.289 Base-Backbone interact. energy: 0.953 local terms energy: -802.143891 where: bonds (distance) C4'-P energy: -157.827 bonds (distance) P-C4' energy: -160.239 flat angles C4'-P-C4' energy: -179.888 flat angles P-C4'-P energy: -117.466 tors. eta vs tors. theta energy: -186.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2212.009730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.009730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.009730 (E_RNA) where: Base-Base interactions energy: -1458.025 where: short stacking energy: -684.002 Base-Backbone interact. energy: 2.100 local terms energy: -756.084770 where: bonds (distance) C4'-P energy: -158.011 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -159.732 flat angles P-C4'-P energy: -101.295 tors. eta vs tors. theta energy: -176.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2092.052671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.052671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.052671 (E_RNA) where: Base-Base interactions energy: -1351.058 where: short stacking energy: -627.677 Base-Backbone interact. energy: -1.014 local terms energy: -739.980863 where: bonds (distance) C4'-P energy: -163.763 bonds (distance) P-C4' energy: -142.183 flat angles C4'-P-C4' energy: -153.353 flat angles P-C4'-P energy: -110.341 tors. eta vs tors. theta energy: -170.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2070.135176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.135176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.135176 (E_RNA) where: Base-Base interactions energy: -1365.286 where: short stacking energy: -640.178 Base-Backbone interact. energy: -1.122 local terms energy: -703.727511 where: bonds (distance) C4'-P energy: -142.441 bonds (distance) P-C4' energy: -148.744 flat angles C4'-P-C4' energy: -142.893 flat angles P-C4'-P energy: -110.897 tors. eta vs tors. theta energy: -158.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1692.613931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.613931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.613931 (E_RNA) where: Base-Base interactions energy: -1060.897 where: short stacking energy: -510.023 Base-Backbone interact. energy: -3.799 local terms energy: -627.917942 where: bonds (distance) C4'-P energy: -141.926 bonds (distance) P-C4' energy: -138.059 flat angles C4'-P-C4' energy: -134.515 flat angles P-C4'-P energy: -95.601 tors. eta vs tors. theta energy: -117.816 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: 68 Temperature: 1.250000 Total energy: -1629.583311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.583311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.583311 (E_RNA) where: Base-Base interactions energy: -1015.979 where: short stacking energy: -480.245 Base-Backbone interact. energy: -1.608 local terms energy: -611.996459 where: bonds (distance) C4'-P energy: -120.203 bonds (distance) P-C4' energy: -154.314 flat angles C4'-P-C4' energy: -155.614 flat angles P-C4'-P energy: -84.124 tors. eta vs tors. theta energy: -97.741 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: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1395.267481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.267481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.267481 (E_RNA) where: Base-Base interactions energy: -877.882 where: short stacking energy: -417.828 Base-Backbone interact. energy: 0.163 local terms energy: -517.548458 where: bonds (distance) C4'-P energy: -134.373 bonds (distance) P-C4' energy: -121.994 flat angles C4'-P-C4' energy: -131.074 flat angles P-C4'-P energy: -74.507 tors. eta vs tors. theta energy: -55.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1101.386354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.386354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.386354 (E_RNA) where: Base-Base interactions energy: -624.298 where: short stacking energy: -312.485 Base-Backbone interact. energy: 3.536 local terms energy: -480.624851 where: bonds (distance) C4'-P energy: -151.651 bonds (distance) P-C4' energy: -114.177 flat angles C4'-P-C4' energy: -129.891 flat angles P-C4'-P energy: -65.356 tors. eta vs tors. theta energy: -19.549 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: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -2724.649018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.649018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.649018 (E_RNA) where: Base-Base interactions energy: -1915.402 where: short stacking energy: -768.974 Base-Backbone interact. energy: -0.850 local terms energy: -808.397905 where: bonds (distance) C4'-P energy: -151.559 bonds (distance) P-C4' energy: -159.931 flat angles C4'-P-C4' energy: -190.937 flat angles P-C4'-P energy: -116.380 tors. eta vs tors. theta energy: -189.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2553.278251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.278251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.278251 (E_RNA) where: Base-Base interactions energy: -1707.257 where: short stacking energy: -738.080 Base-Backbone interact. energy: -5.144 local terms energy: -840.877570 where: bonds (distance) C4'-P energy: -172.959 bonds (distance) P-C4' energy: -161.190 flat angles C4'-P-C4' energy: -181.751 flat angles P-C4'-P energy: -124.321 tors. eta vs tors. theta energy: -200.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2449.707216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.707216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.707216 (E_RNA) where: Base-Base interactions energy: -1636.496 where: short stacking energy: -713.119 Base-Backbone interact. energy: -3.433 local terms energy: -809.778231 where: bonds (distance) C4'-P energy: -166.571 bonds (distance) P-C4' energy: -167.574 flat angles C4'-P-C4' energy: -182.640 flat angles P-C4'-P energy: -111.659 tors. eta vs tors. theta energy: -181.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2234.518287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.518287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.518287 (E_RNA) where: Base-Base interactions energy: -1478.989 where: short stacking energy: -684.592 Base-Backbone interact. energy: -1.732 local terms energy: -753.797549 where: bonds (distance) C4'-P energy: -137.815 bonds (distance) P-C4' energy: -161.073 flat angles C4'-P-C4' energy: -179.729 flat angles P-C4'-P energy: -110.420 tors. eta vs tors. theta energy: -164.760 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: 3 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2063.358014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.358014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.358014 (E_RNA) where: Base-Base interactions energy: -1338.902 where: short stacking energy: -650.881 Base-Backbone interact. energy: 1.559 local terms energy: -726.014880 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -158.134 flat angles C4'-P-C4' energy: -169.693 flat angles P-C4'-P energy: -95.978 tors. eta vs tors. theta energy: -160.833 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: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2026.860842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.860842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.860842 (E_RNA) where: Base-Base interactions energy: -1336.173 where: short stacking energy: -615.385 Base-Backbone interact. energy: -4.301 local terms energy: -686.386359 where: bonds (distance) C4'-P energy: -135.860 bonds (distance) P-C4' energy: -143.224 flat angles C4'-P-C4' energy: -168.951 flat angles P-C4'-P energy: -94.259 tors. eta vs tors. theta energy: -144.092 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: 1 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1783.212869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.212869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.212869 (E_RNA) where: Base-Base interactions energy: -1193.188 where: short stacking energy: -551.462 Base-Backbone interact. energy: -1.699 local terms energy: -588.325602 where: bonds (distance) C4'-P energy: -121.821 bonds (distance) P-C4' energy: -137.161 flat angles C4'-P-C4' energy: -133.668 flat angles P-C4'-P energy: -79.638 tors. eta vs tors. theta energy: -116.038 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: 8 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1622.198499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.198499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.198499 (E_RNA) where: Base-Base interactions energy: -1017.369 where: short stacking energy: -476.042 Base-Backbone interact. energy: 5.608 local terms energy: -610.437558 where: bonds (distance) C4'-P energy: -148.283 bonds (distance) P-C4' energy: -138.743 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -82.717 tors. eta vs tors. theta energy: -90.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1440.677152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.677152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.677152 (E_RNA) where: Base-Base interactions energy: -922.100 where: short stacking energy: -434.335 Base-Backbone interact. energy: -0.979 local terms energy: -517.598193 where: bonds (distance) C4'-P energy: -130.301 bonds (distance) P-C4' energy: -126.427 flat angles C4'-P-C4' energy: -122.336 flat angles P-C4'-P energy: -64.965 tors. eta vs tors. theta energy: -73.569 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: 69 Temperature: 1.350000 Total energy: -1120.072109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.072109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.072109 (E_RNA) where: Base-Base interactions energy: -676.086 where: short stacking energy: -335.148 Base-Backbone interact. energy: 3.170 local terms energy: -447.155923 where: bonds (distance) C4'-P energy: -121.843 bonds (distance) P-C4' energy: -103.319 flat angles C4'-P-C4' energy: -123.727 flat angles P-C4'-P energy: -76.371 tors. eta vs tors. theta energy: -21.895 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: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2729.458605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.458605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.458605 (E_RNA) where: Base-Base interactions energy: -1900.090 where: short stacking energy: -792.638 Base-Backbone interact. energy: -4.331 local terms energy: -825.037405 where: bonds (distance) C4'-P energy: -167.232 bonds (distance) P-C4' energy: -164.104 flat angles C4'-P-C4' energy: -168.925 flat angles P-C4'-P energy: -129.233 tors. eta vs tors. theta energy: -195.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2524.976783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.976783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.976783 (E_RNA) where: Base-Base interactions energy: -1686.042 where: short stacking energy: -758.544 Base-Backbone interact. energy: -1.608 local terms energy: -837.327660 where: bonds (distance) C4'-P energy: -167.818 bonds (distance) P-C4' energy: -171.608 flat angles C4'-P-C4' energy: -182.551 flat angles P-C4'-P energy: -121.095 tors. eta vs tors. theta energy: -194.255 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: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2429.244810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.244810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.244810 (E_RNA) where: Base-Base interactions energy: -1634.711 where: short stacking energy: -737.199 Base-Backbone interact. energy: -1.775 local terms energy: -792.758591 where: bonds (distance) C4'-P energy: -132.188 bonds (distance) P-C4' energy: -159.077 flat angles C4'-P-C4' energy: -186.091 flat angles P-C4'-P energy: -120.084 tors. eta vs tors. theta energy: -195.318 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: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2197.521039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.521039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.521039 (E_RNA) where: Base-Base interactions energy: -1449.241 where: short stacking energy: -644.626 Base-Backbone interact. energy: -2.894 local terms energy: -745.386099 where: bonds (distance) C4'-P energy: -130.903 bonds (distance) P-C4' energy: -173.261 flat angles C4'-P-C4' energy: -166.804 flat angles P-C4'-P energy: -109.919 tors. eta vs tors. theta energy: -164.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2109.568580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.568580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.568580 (E_RNA) where: Base-Base interactions energy: -1365.202 where: short stacking energy: -619.099 Base-Backbone interact. energy: -3.291 local terms energy: -741.075686 where: bonds (distance) C4'-P energy: -139.535 bonds (distance) P-C4' energy: -167.803 flat angles C4'-P-C4' energy: -170.083 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -147.846 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: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2008.546676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.546676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.546676 (E_RNA) where: Base-Base interactions energy: -1332.604 where: short stacking energy: -612.726 Base-Backbone interact. energy: -2.076 local terms energy: -673.866632 where: bonds (distance) C4'-P energy: -116.942 bonds (distance) P-C4' energy: -143.536 flat angles C4'-P-C4' energy: -161.319 flat angles P-C4'-P energy: -98.769 tors. eta vs tors. theta energy: -153.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1878.961921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.961921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.961921 (E_RNA) where: Base-Base interactions energy: -1229.006 where: short stacking energy: -553.145 Base-Backbone interact. energy: 4.068 local terms energy: -654.024227 where: bonds (distance) C4'-P energy: -137.041 bonds (distance) P-C4' energy: -149.262 flat angles C4'-P-C4' energy: -154.724 flat angles P-C4'-P energy: -83.301 tors. eta vs tors. theta energy: -129.695 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: 70 Temperature: 1.250000 Total energy: -1598.106480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.106480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.106480 (E_RNA) where: Base-Base interactions energy: -1009.428 where: short stacking energy: -492.500 Base-Backbone interact. energy: 0.455 local terms energy: -589.133484 where: bonds (distance) C4'-P energy: -140.321 bonds (distance) P-C4' energy: -148.601 flat angles C4'-P-C4' energy: -134.412 flat angles P-C4'-P energy: -81.240 tors. eta vs tors. theta energy: -84.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1441.886669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.886669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.886669 (E_RNA) where: Base-Base interactions energy: -914.415 where: short stacking energy: -421.452 Base-Backbone interact. energy: 5.756 local terms energy: -533.228281 where: bonds (distance) C4'-P energy: -112.281 bonds (distance) P-C4' energy: -136.325 flat angles C4'-P-C4' energy: -131.182 flat angles P-C4'-P energy: -81.260 tors. eta vs tors. theta energy: -72.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1163.750405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.750405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.750405 (E_RNA) where: Base-Base interactions energy: -671.179 where: short stacking energy: -343.899 Base-Backbone interact. energy: -2.864 local terms energy: -489.708011 where: bonds (distance) C4'-P energy: -140.276 bonds (distance) P-C4' energy: -150.924 flat angles C4'-P-C4' energy: -138.410 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -20.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -2733.587063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.587063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.587063 (E_RNA) where: Base-Base interactions energy: -1908.490 where: short stacking energy: -819.147 Base-Backbone interact. energy: -4.831 local terms energy: -820.266192 where: bonds (distance) C4'-P energy: -157.872 bonds (distance) P-C4' energy: -166.442 flat angles C4'-P-C4' energy: -181.805 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -209.203 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: 6 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2558.977625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.977625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.977625 (E_RNA) where: Base-Base interactions energy: -1734.326 where: short stacking energy: -773.636 Base-Backbone interact. energy: -2.557 local terms energy: -822.094593 where: bonds (distance) C4'-P energy: -170.431 bonds (distance) P-C4' energy: -155.741 flat angles C4'-P-C4' energy: -176.450 flat angles P-C4'-P energy: -108.083 tors. eta vs tors. theta energy: -211.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2409.035932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.035932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.035932 (E_RNA) where: Base-Base interactions energy: -1622.251 where: short stacking energy: -725.214 Base-Backbone interact. energy: 2.365 local terms energy: -789.149722 where: bonds (distance) C4'-P energy: -173.819 bonds (distance) P-C4' energy: -157.774 flat angles C4'-P-C4' energy: -171.683 flat angles P-C4'-P energy: -113.562 tors. eta vs tors. theta energy: -172.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2235.242096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.242096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.242096 (E_RNA) where: Base-Base interactions energy: -1470.837 where: short stacking energy: -668.355 Base-Backbone interact. energy: -0.557 local terms energy: -763.847470 where: bonds (distance) C4'-P energy: -148.152 bonds (distance) P-C4' energy: -166.685 flat angles C4'-P-C4' energy: -167.288 flat angles P-C4'-P energy: -112.543 tors. eta vs tors. theta energy: -169.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2083.622865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.622865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.622865 (E_RNA) where: Base-Base interactions energy: -1377.140 where: short stacking energy: -643.494 Base-Backbone interact. energy: -1.544 local terms energy: -704.938793 where: bonds (distance) C4'-P energy: -148.565 bonds (distance) P-C4' energy: -151.225 flat angles C4'-P-C4' energy: -166.844 flat angles P-C4'-P energy: -93.170 tors. eta vs tors. theta energy: -145.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2026.952931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.952931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.952931 (E_RNA) where: Base-Base interactions energy: -1293.040 where: short stacking energy: -611.425 Base-Backbone interact. energy: -1.468 local terms energy: -732.445595 where: bonds (distance) C4'-P energy: -151.068 bonds (distance) P-C4' energy: -156.696 flat angles C4'-P-C4' energy: -157.074 flat angles P-C4'-P energy: -104.522 tors. eta vs tors. theta energy: -163.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1903.674319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.674319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.674319 (E_RNA) where: Base-Base interactions energy: -1235.804 where: short stacking energy: -566.902 Base-Backbone interact. energy: -1.101 local terms energy: -666.768837 where: bonds (distance) C4'-P energy: -141.984 bonds (distance) P-C4' energy: -148.656 flat angles C4'-P-C4' energy: -141.778 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -130.797 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: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1483.223542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.223542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.223542 (E_RNA) where: Base-Base interactions energy: -901.540 where: short stacking energy: -407.274 Base-Backbone interact. energy: -1.102 local terms energy: -580.581631 where: bonds (distance) C4'-P energy: -139.939 bonds (distance) P-C4' energy: -148.320 flat angles C4'-P-C4' energy: -137.638 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: -77.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1385.138243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.138243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.138243 (E_RNA) where: Base-Base interactions energy: -867.167 where: short stacking energy: -392.424 Base-Backbone interact. energy: -1.483 local terms energy: -516.488956 where: bonds (distance) C4'-P energy: -116.733 bonds (distance) P-C4' energy: -147.543 flat angles C4'-P-C4' energy: -123.923 flat angles P-C4'-P energy: -62.370 tors. eta vs tors. theta energy: -65.920 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: 71 Temperature: 1.350000 Total energy: -1057.662180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.662180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.662180 (E_RNA) where: Base-Base interactions energy: -619.318 where: short stacking energy: -291.363 Base-Backbone interact. energy: -0.450 local terms energy: -437.894690 where: bonds (distance) C4'-P energy: -108.940 bonds (distance) P-C4' energy: -113.658 flat angles C4'-P-C4' energy: -120.667 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -2728.290248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.290248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.290248 (E_RNA) where: Base-Base interactions energy: -1873.164 where: short stacking energy: -782.859 Base-Backbone interact. energy: -4.678 local terms energy: -850.448114 where: bonds (distance) C4'-P energy: -173.336 bonds (distance) P-C4' energy: -171.297 flat angles C4'-P-C4' energy: -182.724 flat angles P-C4'-P energy: -129.503 tors. eta vs tors. theta energy: -193.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2571.767665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.767665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.767665 (E_RNA) where: Base-Base interactions energy: -1736.558 where: short stacking energy: -790.340 Base-Backbone interact. energy: -2.817 local terms energy: -832.393193 where: bonds (distance) C4'-P energy: -145.861 bonds (distance) P-C4' energy: -171.204 flat angles C4'-P-C4' energy: -185.122 flat angles P-C4'-P energy: -110.973 tors. eta vs tors. theta energy: -219.233 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: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2402.445418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.445418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.445418 (E_RNA) where: Base-Base interactions energy: -1626.045 where: short stacking energy: -748.074 Base-Backbone interact. energy: -3.391 local terms energy: -773.009821 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -139.485 flat angles C4'-P-C4' energy: -185.655 flat angles P-C4'-P energy: -108.675 tors. eta vs tors. theta energy: -184.210 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: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2229.252746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.252746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.252746 (E_RNA) where: Base-Base interactions energy: -1439.657 where: short stacking energy: -678.180 Base-Backbone interact. energy: -4.848 local terms energy: -784.747669 where: bonds (distance) C4'-P energy: -158.693 bonds (distance) P-C4' energy: -153.381 flat angles C4'-P-C4' energy: -169.571 flat angles P-C4'-P energy: -116.017 tors. eta vs tors. theta energy: -187.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2118.377474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.377474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.377474 (E_RNA) where: Base-Base interactions energy: -1404.050 where: short stacking energy: -635.573 Base-Backbone interact. energy: -0.880 local terms energy: -713.447577 where: bonds (distance) C4'-P energy: -144.536 bonds (distance) P-C4' energy: -149.187 flat angles C4'-P-C4' energy: -160.453 flat angles P-C4'-P energy: -112.772 tors. eta vs tors. theta energy: -146.500 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: 3 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2015.448623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.448623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.448623 (E_RNA) where: Base-Base interactions energy: -1312.806 where: short stacking energy: -617.263 Base-Backbone interact. energy: -2.064 local terms energy: -700.578785 where: bonds (distance) C4'-P energy: -137.938 bonds (distance) P-C4' energy: -157.668 flat angles C4'-P-C4' energy: -149.694 flat angles P-C4'-P energy: -105.389 tors. eta vs tors. theta energy: -149.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1971.290511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.290511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.290511 (E_RNA) where: Base-Base interactions energy: -1297.911 where: short stacking energy: -570.814 Base-Backbone interact. energy: 0.702 local terms energy: -674.081290 where: bonds (distance) C4'-P energy: -157.982 bonds (distance) P-C4' energy: -123.505 flat angles C4'-P-C4' energy: -150.254 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -152.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1450.266869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.266869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.266869 (E_RNA) where: Base-Base interactions energy: -861.007 where: short stacking energy: -427.630 Base-Backbone interact. energy: 2.586 local terms energy: -591.845631 where: bonds (distance) C4'-P energy: -123.986 bonds (distance) P-C4' energy: -159.483 flat angles C4'-P-C4' energy: -138.221 flat angles P-C4'-P energy: -88.245 tors. eta vs tors. theta energy: -81.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1393.118252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.118252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.118252 (E_RNA) where: Base-Base interactions energy: -824.879 where: short stacking energy: -405.063 Base-Backbone interact. energy: 0.458 local terms energy: -568.698139 where: bonds (distance) C4'-P energy: -144.244 bonds (distance) P-C4' energy: -146.799 flat angles C4'-P-C4' energy: -139.878 flat angles P-C4'-P energy: -75.808 tors. eta vs tors. theta energy: -61.969 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: 72 Temperature: 1.350000 Total energy: -1094.682580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.682580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.682580 (E_RNA) where: Base-Base interactions energy: -625.921 where: short stacking energy: -325.737 Base-Backbone interact. energy: 2.536 local terms energy: -471.298001 where: bonds (distance) C4'-P energy: -142.737 bonds (distance) P-C4' energy: -146.954 flat angles C4'-P-C4' energy: -95.254 flat angles P-C4'-P energy: -59.144 tors. eta vs tors. theta energy: -27.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -2743.661225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.661225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.661225 (E_RNA) where: Base-Base interactions energy: -1895.257 where: short stacking energy: -796.764 Base-Backbone interact. energy: 1.988 local terms energy: -850.392836 where: bonds (distance) C4'-P energy: -171.474 bonds (distance) P-C4' energy: -176.874 flat angles C4'-P-C4' energy: -187.127 flat angles P-C4'-P energy: -111.014 tors. eta vs tors. theta energy: -203.905 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: 6 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2561.669510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.669510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.669510 (E_RNA) where: Base-Base interactions energy: -1714.609 where: short stacking energy: -799.180 Base-Backbone interact. energy: -0.144 local terms energy: -846.916361 where: bonds (distance) C4'-P energy: -158.058 bonds (distance) P-C4' energy: -160.707 flat angles C4'-P-C4' energy: -184.257 flat angles P-C4'-P energy: -113.815 tors. eta vs tors. theta energy: -230.079 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: 73 Temperature: 1.000000 Total energy: -2439.708200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.708200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.708200 (E_RNA) where: Base-Base interactions energy: -1605.613 where: short stacking energy: -763.455 Base-Backbone interact. energy: -0.486 local terms energy: -833.610091 where: bonds (distance) C4'-P energy: -160.732 bonds (distance) P-C4' energy: -164.882 flat angles C4'-P-C4' energy: -186.368 flat angles P-C4'-P energy: -126.065 tors. eta vs tors. theta energy: -195.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2228.254600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.254600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.254600 (E_RNA) where: Base-Base interactions energy: -1472.752 where: short stacking energy: -688.481 Base-Backbone interact. energy: -2.421 local terms energy: -753.081276 where: bonds (distance) C4'-P energy: -151.899 bonds (distance) P-C4' energy: -139.561 flat angles C4'-P-C4' energy: -170.901 flat angles P-C4'-P energy: -113.281 tors. eta vs tors. theta energy: -177.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2120.974504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.974504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.974504 (E_RNA) where: Base-Base interactions energy: -1376.823 where: short stacking energy: -642.613 Base-Backbone interact. energy: -3.236 local terms energy: -740.915489 where: bonds (distance) C4'-P energy: -142.547 bonds (distance) P-C4' energy: -154.376 flat angles C4'-P-C4' energy: -166.639 flat angles P-C4'-P energy: -117.362 tors. eta vs tors. theta energy: -159.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2053.332325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.332325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.332325 (E_RNA) where: Base-Base interactions energy: -1407.040 where: short stacking energy: -633.252 Base-Backbone interact. energy: -1.245 local terms energy: -645.047792 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -123.061 flat angles C4'-P-C4' energy: -151.486 flat angles P-C4'-P energy: -102.322 tors. eta vs tors. theta energy: -140.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1996.518663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.518663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.518663 (E_RNA) where: Base-Base interactions energy: -1293.318 where: short stacking energy: -592.653 Base-Backbone interact. energy: -0.219 local terms energy: -702.981788 where: bonds (distance) C4'-P energy: -135.772 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -149.314 flat angles P-C4'-P energy: -118.707 tors. eta vs tors. theta energy: -143.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1449.904738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.904738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.904738 (E_RNA) where: Base-Base interactions energy: -916.647 where: short stacking energy: -461.372 Base-Backbone interact. energy: -0.065 local terms energy: -533.193632 where: bonds (distance) C4'-P energy: -111.050 bonds (distance) P-C4' energy: -124.416 flat angles C4'-P-C4' energy: -143.198 flat angles P-C4'-P energy: -84.939 tors. eta vs tors. theta energy: -69.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1399.738688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.738688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.738688 (E_RNA) where: Base-Base interactions energy: -852.907 where: short stacking energy: -397.627 Base-Backbone interact. energy: 3.236 local terms energy: -550.067618 where: bonds (distance) C4'-P energy: -139.249 bonds (distance) P-C4' energy: -138.026 flat angles C4'-P-C4' energy: -126.554 flat angles P-C4'-P energy: -80.033 tors. eta vs tors. theta energy: -66.206 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: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1084.180763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.180763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.180763 (E_RNA) where: Base-Base interactions energy: -619.801 where: short stacking energy: -310.628 Base-Backbone interact. energy: -3.456 local terms energy: -460.924036 where: bonds (distance) C4'-P energy: -110.629 bonds (distance) P-C4' energy: -145.202 flat angles C4'-P-C4' energy: -98.258 flat angles P-C4'-P energy: -96.922 tors. eta vs tors. theta energy: -9.914 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: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -2724.022970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.022970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.022970 (E_RNA) where: Base-Base interactions energy: -1900.960 where: short stacking energy: -783.526 Base-Backbone interact. energy: -4.385 local terms energy: -818.677638 where: bonds (distance) C4'-P energy: -165.356 bonds (distance) P-C4' energy: -162.921 flat angles C4'-P-C4' energy: -178.189 flat angles P-C4'-P energy: -117.796 tors. eta vs tors. theta energy: -194.415 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: 6 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2557.091312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.091312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.091312 (E_RNA) where: Base-Base interactions energy: -1738.704 where: short stacking energy: -771.386 Base-Backbone interact. energy: -3.114 local terms energy: -815.274153 where: bonds (distance) C4'-P energy: -164.743 bonds (distance) P-C4' energy: -163.622 flat angles C4'-P-C4' energy: -172.463 flat angles P-C4'-P energy: -123.650 tors. eta vs tors. theta energy: -190.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2435.084984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.084984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.084984 (E_RNA) where: Base-Base interactions energy: -1638.031 where: short stacking energy: -754.554 Base-Backbone interact. energy: -1.408 local terms energy: -795.646241 where: bonds (distance) C4'-P energy: -151.876 bonds (distance) P-C4' energy: -154.439 flat angles C4'-P-C4' energy: -185.795 flat angles P-C4'-P energy: -113.520 tors. eta vs tors. theta energy: -190.016 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: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2122.001317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.001317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.001317 (E_RNA) where: Base-Base interactions energy: -1413.937 where: short stacking energy: -688.918 Base-Backbone interact. energy: -2.397 local terms energy: -705.667900 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -158.197 flat angles C4'-P-C4' energy: -148.068 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -152.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2084.441829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.441829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.441829 (E_RNA) where: Base-Base interactions energy: -1391.979 where: short stacking energy: -647.224 Base-Backbone interact. energy: -1.798 local terms energy: -690.664641 where: bonds (distance) C4'-P energy: -152.284 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -168.879 flat angles P-C4'-P energy: -90.694 tors. eta vs tors. theta energy: -148.003 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: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2074.024559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.024559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.024559 (E_RNA) where: Base-Base interactions energy: -1371.110 where: short stacking energy: -637.755 Base-Backbone interact. energy: -1.975 local terms energy: -700.939295 where: bonds (distance) C4'-P energy: -135.047 bonds (distance) P-C4' energy: -155.435 flat angles C4'-P-C4' energy: -163.103 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -145.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1969.567713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.567713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.567713 (E_RNA) where: Base-Base interactions energy: -1312.918 where: short stacking energy: -578.132 Base-Backbone interact. energy: -0.285 local terms energy: -656.365358 where: bonds (distance) C4'-P energy: -137.263 bonds (distance) P-C4' energy: -144.234 flat angles C4'-P-C4' energy: -151.994 flat angles P-C4'-P energy: -88.528 tors. eta vs tors. theta energy: -134.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1526.812137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.812137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.812137 (E_RNA) where: Base-Base interactions energy: -984.320 where: short stacking energy: -465.546 Base-Backbone interact. energy: 0.488 local terms energy: -542.981003 where: bonds (distance) C4'-P energy: -136.491 bonds (distance) P-C4' energy: -114.958 flat angles C4'-P-C4' energy: -141.995 flat angles P-C4'-P energy: -69.935 tors. eta vs tors. theta energy: -79.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1330.627697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.627697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.627697 (E_RNA) where: Base-Base interactions energy: -819.236 where: short stacking energy: -370.704 Base-Backbone interact. energy: -0.137 local terms energy: -511.254565 where: bonds (distance) C4'-P energy: -112.263 bonds (distance) P-C4' energy: -136.231 flat angles C4'-P-C4' energy: -134.272 flat angles P-C4'-P energy: -72.725 tors. eta vs tors. theta energy: -55.764 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: 74 Temperature: 1.350000 Total energy: -1162.327497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.327497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.327497 (E_RNA) where: Base-Base interactions energy: -742.157 where: short stacking energy: -373.160 Base-Backbone interact. energy: -1.536 local terms energy: -418.634313 where: bonds (distance) C4'-P energy: -100.373 bonds (distance) P-C4' energy: -114.892 flat angles C4'-P-C4' energy: -111.998 flat angles P-C4'-P energy: -65.220 tors. eta vs tors. theta energy: -26.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -2695.557280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.557280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.557280 (E_RNA) where: Base-Base interactions energy: -1872.685 where: short stacking energy: -777.082 Base-Backbone interact. energy: -4.621 local terms energy: -818.251401 where: bonds (distance) C4'-P energy: -156.101 bonds (distance) P-C4' energy: -169.392 flat angles C4'-P-C4' energy: -185.694 flat angles P-C4'-P energy: -118.194 tors. eta vs tors. theta energy: -188.870 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: 75 Temperature: 0.950000 Total energy: -2542.646876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.646876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.646876 (E_RNA) where: Base-Base interactions energy: -1725.038 where: short stacking energy: -807.205 Base-Backbone interact. energy: -3.185 local terms energy: -814.424049 where: bonds (distance) C4'-P energy: -156.631 bonds (distance) P-C4' energy: -160.728 flat angles C4'-P-C4' energy: -175.610 flat angles P-C4'-P energy: -119.248 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: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2487.934316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.934316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.934316 (E_RNA) where: Base-Base interactions energy: -1649.732 where: short stacking energy: -732.388 Base-Backbone interact. energy: 1.935 local terms energy: -840.137832 where: bonds (distance) C4'-P energy: -160.670 bonds (distance) P-C4' energy: -177.286 flat angles C4'-P-C4' energy: -187.120 flat angles P-C4'-P energy: -107.691 tors. eta vs tors. theta energy: -207.370 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: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2240.766282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.766282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.766282 (E_RNA) where: Base-Base interactions energy: -1484.330 where: short stacking energy: -675.376 Base-Backbone interact. energy: -3.988 local terms energy: -752.447973 where: bonds (distance) C4'-P energy: -156.201 bonds (distance) P-C4' energy: -157.543 flat angles C4'-P-C4' energy: -160.518 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -175.226 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: 5, replica: 5 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2087.157256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.157256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.157256 (E_RNA) where: Base-Base interactions energy: -1396.432 where: short stacking energy: -632.556 Base-Backbone interact. energy: -3.960 local terms energy: -686.765555 where: bonds (distance) C4'-P energy: -136.474 bonds (distance) P-C4' energy: -152.483 flat angles C4'-P-C4' energy: -148.443 flat angles P-C4'-P energy: -94.559 tors. eta vs tors. theta energy: -154.807 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: 1 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2086.834952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.834952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.834952 (E_RNA) where: Base-Base interactions energy: -1373.342 where: short stacking energy: -627.277 Base-Backbone interact. energy: 0.540 local terms energy: -714.033161 where: bonds (distance) C4'-P energy: -140.354 bonds (distance) P-C4' energy: -172.281 flat angles C4'-P-C4' energy: -158.805 flat angles P-C4'-P energy: -78.002 tors. eta vs tors. theta energy: -164.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1920.071093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.071093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.071093 (E_RNA) where: Base-Base interactions energy: -1255.350 where: short stacking energy: -557.130 Base-Backbone interact. energy: 0.456 local terms energy: -665.177016 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -129.792 flat angles C4'-P-C4' energy: -158.762 flat angles P-C4'-P energy: -101.061 tors. eta vs tors. theta energy: -150.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1557.114245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.114245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.114245 (E_RNA) where: Base-Base interactions energy: -975.519 where: short stacking energy: -455.884 Base-Backbone interact. energy: 5.830 local terms energy: -587.425698 where: bonds (distance) C4'-P energy: -106.566 bonds (distance) P-C4' energy: -153.131 flat angles C4'-P-C4' energy: -161.648 flat angles P-C4'-P energy: -76.822 tors. eta vs tors. theta energy: -89.259 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: 8 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1312.647892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.647892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.647892 (E_RNA) where: Base-Base interactions energy: -799.167 where: short stacking energy: -359.789 Base-Backbone interact. energy: 4.347 local terms energy: -517.827614 where: bonds (distance) C4'-P energy: -125.538 bonds (distance) P-C4' energy: -147.349 flat angles C4'-P-C4' energy: -123.304 flat angles P-C4'-P energy: -88.964 tors. eta vs tors. theta energy: -32.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1165.698873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.698873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.698873 (E_RNA) where: Base-Base interactions energy: -710.194 where: short stacking energy: -348.676 Base-Backbone interact. energy: 4.544 local terms energy: -460.048724 where: bonds (distance) C4'-P energy: -120.353 bonds (distance) P-C4' energy: -120.095 flat angles C4'-P-C4' energy: -112.762 flat angles P-C4'-P energy: -76.946 tors. eta vs tors. theta energy: -29.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -2727.691788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.691788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.691788 (E_RNA) where: Base-Base interactions energy: -1906.242 where: short stacking energy: -770.272 Base-Backbone interact. energy: -0.252 local terms energy: -821.197903 where: bonds (distance) C4'-P energy: -168.329 bonds (distance) P-C4' energy: -153.456 flat angles C4'-P-C4' energy: -191.202 flat angles P-C4'-P energy: -118.249 tors. eta vs tors. theta energy: -189.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2544.481678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.481678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.481678 (E_RNA) where: Base-Base interactions energy: -1726.683 where: short stacking energy: -756.253 Base-Backbone interact. energy: 0.670 local terms energy: -818.469198 where: bonds (distance) C4'-P energy: -175.026 bonds (distance) P-C4' energy: -149.721 flat angles C4'-P-C4' energy: -173.754 flat angles P-C4'-P energy: -115.719 tors. eta vs tors. theta energy: -204.249 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: 3, replica: 4 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2436.752664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.752664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.752664 (E_RNA) where: Base-Base interactions energy: -1646.920 where: short stacking energy: -746.772 Base-Backbone interact. energy: 4.354 local terms energy: -794.186868 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -147.003 flat angles C4'-P-C4' energy: -173.607 flat angles P-C4'-P energy: -118.201 tors. eta vs tors. theta energy: -198.640 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: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2240.683874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.683874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.683874 (E_RNA) where: Base-Base interactions energy: -1462.719 where: short stacking energy: -670.282 Base-Backbone interact. energy: -3.556 local terms energy: -774.408926 where: bonds (distance) C4'-P energy: -150.137 bonds (distance) P-C4' energy: -172.628 flat angles C4'-P-C4' energy: -169.982 flat angles P-C4'-P energy: -118.391 tors. eta vs tors. theta energy: -163.270 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: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2199.180914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.180914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.180914 (E_RNA) where: Base-Base interactions energy: -1461.159 where: short stacking energy: -707.316 Base-Backbone interact. energy: 1.213 local terms energy: -739.234536 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -156.755 flat angles C4'-P-C4' energy: -172.473 flat angles P-C4'-P energy: -107.742 tors. eta vs tors. theta energy: -183.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1975.417506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.417506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.417506 (E_RNA) where: Base-Base interactions energy: -1302.118 where: short stacking energy: -595.062 Base-Backbone interact. energy: -0.688 local terms energy: -672.611431 where: bonds (distance) C4'-P energy: -130.572 bonds (distance) P-C4' energy: -140.304 flat angles C4'-P-C4' energy: -151.628 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -148.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1830.915077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.915077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.915077 (E_RNA) where: Base-Base interactions energy: -1204.207 where: short stacking energy: -573.032 Base-Backbone interact. energy: 2.910 local terms energy: -629.618604 where: bonds (distance) C4'-P energy: -114.219 bonds (distance) P-C4' energy: -144.451 flat angles C4'-P-C4' energy: -152.564 flat angles P-C4'-P energy: -81.183 tors. eta vs tors. theta energy: -137.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1484.833859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.833859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.833859 (E_RNA) where: Base-Base interactions energy: -877.565 where: short stacking energy: -428.528 Base-Backbone interact. energy: -3.200 local terms energy: -604.069320 where: bonds (distance) C4'-P energy: -122.192 bonds (distance) P-C4' energy: -159.505 flat angles C4'-P-C4' energy: -128.464 flat angles P-C4'-P energy: -106.535 tors. eta vs tors. theta energy: -87.374 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: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1283.715669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.715669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.715669 (E_RNA) where: Base-Base interactions energy: -772.457 where: short stacking energy: -380.213 Base-Backbone interact. energy: 2.401 local terms energy: -513.659692 where: bonds (distance) C4'-P energy: -129.573 bonds (distance) P-C4' energy: -147.939 flat angles C4'-P-C4' energy: -114.639 flat angles P-C4'-P energy: -58.308 tors. eta vs tors. theta energy: -63.200 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: 76 Temperature: 1.350000 Total energy: -1227.176695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.176695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.176695 (E_RNA) where: Base-Base interactions energy: -695.044 where: short stacking energy: -339.614 Base-Backbone interact. energy: -1.426 local terms energy: -530.707456 where: bonds (distance) C4'-P energy: -150.291 bonds (distance) P-C4' energy: -140.132 flat angles C4'-P-C4' energy: -135.721 flat angles P-C4'-P energy: -71.671 tors. eta vs tors. theta energy: -32.892 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: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -2725.989149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.989149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.989149 (E_RNA) where: Base-Base interactions energy: -1891.439 where: short stacking energy: -766.552 Base-Backbone interact. energy: -0.417 local terms energy: -834.133364 where: bonds (distance) C4'-P energy: -164.130 bonds (distance) P-C4' energy: -167.546 flat angles C4'-P-C4' energy: -186.166 flat angles P-C4'-P energy: -129.141 tors. eta vs tors. theta energy: -187.151 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: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2540.972715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.972715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.972715 (E_RNA) where: Base-Base interactions energy: -1740.641 where: short stacking energy: -757.910 Base-Backbone interact. energy: -5.317 local terms energy: -795.014746 where: bonds (distance) C4'-P energy: -158.197 bonds (distance) P-C4' energy: -171.891 flat angles C4'-P-C4' energy: -174.292 flat angles P-C4'-P energy: -111.744 tors. eta vs tors. theta energy: -178.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2437.171997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.171997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.171997 (E_RNA) where: Base-Base interactions energy: -1635.317 where: short stacking energy: -729.387 Base-Backbone interact. energy: -5.000 local terms energy: -796.855156 where: bonds (distance) C4'-P energy: -158.758 bonds (distance) P-C4' energy: -158.384 flat angles C4'-P-C4' energy: -174.910 flat angles P-C4'-P energy: -114.823 tors. eta vs tors. theta energy: -189.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2275.052019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.052019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.052019 (E_RNA) where: Base-Base interactions energy: -1519.693 where: short stacking energy: -683.271 Base-Backbone interact. energy: -0.022 local terms energy: -755.337020 where: bonds (distance) C4'-P energy: -146.912 bonds (distance) P-C4' energy: -159.717 flat angles C4'-P-C4' energy: -173.365 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -175.453 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: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2220.742837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.742837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.742837 (E_RNA) where: Base-Base interactions energy: -1494.505 where: short stacking energy: -676.363 Base-Backbone interact. energy: -1.130 local terms energy: -725.108358 where: bonds (distance) C4'-P energy: -139.671 bonds (distance) P-C4' energy: -145.684 flat angles C4'-P-C4' energy: -173.221 flat angles P-C4'-P energy: -100.767 tors. eta vs tors. theta energy: -165.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2031.379403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.379403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.379403 (E_RNA) where: Base-Base interactions energy: -1335.310 where: short stacking energy: -636.136 Base-Backbone interact. energy: -4.573 local terms energy: -691.496020 where: bonds (distance) C4'-P energy: -134.859 bonds (distance) P-C4' energy: -128.335 flat angles C4'-P-C4' energy: -183.584 flat angles P-C4'-P energy: -96.828 tors. eta vs tors. theta energy: -147.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1829.956944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.956944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.956944 (E_RNA) where: Base-Base interactions energy: -1182.944 where: short stacking energy: -580.724 Base-Backbone interact. energy: 3.590 local terms energy: -650.602674 where: bonds (distance) C4'-P energy: -121.555 bonds (distance) P-C4' energy: -150.048 flat angles C4'-P-C4' energy: -144.435 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -122.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1425.061851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.061851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.061851 (E_RNA) where: Base-Base interactions energy: -885.111 where: short stacking energy: -413.068 Base-Backbone interact. energy: 1.807 local terms energy: -541.757865 where: bonds (distance) C4'-P energy: -132.199 bonds (distance) P-C4' energy: -126.222 flat angles C4'-P-C4' energy: -144.969 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -54.964 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: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1292.604793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.604793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.604793 (E_RNA) where: Base-Base interactions energy: -803.497 where: short stacking energy: -409.641 Base-Backbone interact. energy: 3.947 local terms energy: -493.054322 where: bonds (distance) C4'-P energy: -106.637 bonds (distance) P-C4' energy: -121.583 flat angles C4'-P-C4' energy: -139.149 flat angles P-C4'-P energy: -69.511 tors. eta vs tors. theta energy: -56.174 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: 77 Temperature: 1.350000 Total energy: -1186.917513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.917513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.917513 (E_RNA) where: Base-Base interactions energy: -685.884 where: short stacking energy: -345.827 Base-Backbone interact. energy: 4.362 local terms energy: -505.395345 where: bonds (distance) C4'-P energy: -136.166 bonds (distance) P-C4' energy: -135.945 flat angles C4'-P-C4' energy: -125.313 flat angles P-C4'-P energy: -72.401 tors. eta vs tors. theta energy: -35.570 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: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -2720.063450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.063450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.063450 (E_RNA) where: Base-Base interactions energy: -1883.368 where: short stacking energy: -738.218 Base-Backbone interact. energy: -0.364 local terms energy: -836.331698 where: bonds (distance) C4'-P energy: -171.154 bonds (distance) P-C4' energy: -166.645 flat angles C4'-P-C4' energy: -188.807 flat angles P-C4'-P energy: -124.316 tors. eta vs tors. theta energy: -185.409 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: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2498.669991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.669991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.669991 (E_RNA) where: Base-Base interactions energy: -1700.203 where: short stacking energy: -774.530 Base-Backbone interact. energy: -2.792 local terms energy: -795.674948 where: bonds (distance) C4'-P energy: -159.734 bonds (distance) P-C4' energy: -154.302 flat angles C4'-P-C4' energy: -168.128 flat angles P-C4'-P energy: -119.907 tors. eta vs tors. theta energy: -193.605 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: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2436.566918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.566918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.566918 (E_RNA) where: Base-Base interactions energy: -1640.848 where: short stacking energy: -772.308 Base-Backbone interact. energy: -3.915 local terms energy: -791.803761 where: bonds (distance) C4'-P energy: -145.306 bonds (distance) P-C4' energy: -150.940 flat angles C4'-P-C4' energy: -194.066 flat angles P-C4'-P energy: -115.325 tors. eta vs tors. theta energy: -186.167 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: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2344.783281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.783281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.783281 (E_RNA) where: Base-Base interactions energy: -1561.186 where: short stacking energy: -725.539 Base-Backbone interact. energy: 1.608 local terms energy: -785.206029 where: bonds (distance) C4'-P energy: -155.795 bonds (distance) P-C4' energy: -157.795 flat angles C4'-P-C4' energy: -176.144 flat angles P-C4'-P energy: -102.590 tors. eta vs tors. theta energy: -192.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2245.471944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.471944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.471944 (E_RNA) where: Base-Base interactions energy: -1540.912 where: short stacking energy: -688.485 Base-Backbone interact. energy: -3.159 local terms energy: -701.400767 where: bonds (distance) C4'-P energy: -136.904 bonds (distance) P-C4' energy: -149.035 flat angles C4'-P-C4' energy: -149.783 flat angles P-C4'-P energy: -100.369 tors. eta vs tors. theta energy: -165.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2011.726700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.726700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.726700 (E_RNA) where: Base-Base interactions energy: -1337.282 where: short stacking energy: -606.033 Base-Backbone interact. energy: -0.294 local terms energy: -674.150404 where: bonds (distance) C4'-P energy: -124.730 bonds (distance) P-C4' energy: -154.984 flat angles C4'-P-C4' energy: -149.585 flat angles P-C4'-P energy: -105.528 tors. eta vs tors. theta energy: -139.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1856.697638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.697638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.697638 (E_RNA) where: Base-Base interactions energy: -1223.069 where: short stacking energy: -573.369 Base-Backbone interact. energy: -3.384 local terms energy: -630.244225 where: bonds (distance) C4'-P energy: -140.267 bonds (distance) P-C4' energy: -136.708 flat angles C4'-P-C4' energy: -145.216 flat angles P-C4'-P energy: -77.605 tors. eta vs tors. theta energy: -130.449 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: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1450.738896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.738896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.738896 (E_RNA) where: Base-Base interactions energy: -873.999 where: short stacking energy: -449.017 Base-Backbone interact. energy: 4.674 local terms energy: -581.414419 where: bonds (distance) C4'-P energy: -132.176 bonds (distance) P-C4' energy: -144.716 flat angles C4'-P-C4' energy: -152.481 flat angles P-C4'-P energy: -79.601 tors. eta vs tors. theta energy: -72.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1274.612335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.612335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.612335 (E_RNA) where: Base-Base interactions energy: -768.268 where: short stacking energy: -382.576 Base-Backbone interact. energy: 2.000 local terms energy: -508.343475 where: bonds (distance) C4'-P energy: -118.781 bonds (distance) P-C4' energy: -122.158 flat angles C4'-P-C4' energy: -141.395 flat angles P-C4'-P energy: -65.680 tors. eta vs tors. theta energy: -60.329 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: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1188.870603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.870603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.870603 (E_RNA) where: Base-Base interactions energy: -699.241 where: short stacking energy: -353.832 Base-Backbone interact. energy: 4.778 local terms energy: -494.407766 where: bonds (distance) C4'-P energy: -132.154 bonds (distance) P-C4' energy: -132.728 flat angles C4'-P-C4' energy: -108.805 flat angles P-C4'-P energy: -84.457 tors. eta vs tors. theta energy: -36.264 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: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -2695.171988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.171988 (E_RNA) where: Base-Base interactions energy: -1894.958 where: short stacking energy: -764.429 Base-Backbone interact. energy: -0.936 local terms energy: -799.277595 where: bonds (distance) C4'-P energy: -152.503 bonds (distance) P-C4' energy: -173.664 flat angles C4'-P-C4' energy: -191.394 flat angles P-C4'-P energy: -100.799 tors. eta vs tors. theta energy: -180.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2557.252916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.252916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.252916 (E_RNA) where: Base-Base interactions energy: -1758.063 where: short stacking energy: -759.539 Base-Backbone interact. energy: -2.373 local terms energy: -796.816884 where: bonds (distance) C4'-P energy: -161.662 bonds (distance) P-C4' energy: -158.287 flat angles C4'-P-C4' energy: -181.065 flat angles P-C4'-P energy: -103.806 tors. eta vs tors. theta energy: -191.998 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: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2461.617987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.617987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.617987 (E_RNA) where: Base-Base interactions energy: -1656.440 where: short stacking energy: -761.738 Base-Backbone interact. energy: 1.470 local terms energy: -806.647544 where: bonds (distance) C4'-P energy: -157.395 bonds (distance) P-C4' energy: -165.363 flat angles C4'-P-C4' energy: -177.360 flat angles P-C4'-P energy: -105.813 tors. eta vs tors. theta energy: -200.716 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: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2366.155625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.155625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.155625 (E_RNA) where: Base-Base interactions energy: -1567.700 where: short stacking energy: -766.068 Base-Backbone interact. energy: -2.186 local terms energy: -796.270240 where: bonds (distance) C4'-P energy: -145.464 bonds (distance) P-C4' energy: -141.122 flat angles C4'-P-C4' energy: -187.012 flat angles P-C4'-P energy: -117.628 tors. eta vs tors. theta energy: -205.044 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: 7 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2228.987591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.987591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.987591 (E_RNA) where: Base-Base interactions energy: -1499.147 where: short stacking energy: -641.301 Base-Backbone interact. energy: -2.038 local terms energy: -727.803149 where: bonds (distance) C4'-P energy: -133.240 bonds (distance) P-C4' energy: -147.306 flat angles C4'-P-C4' energy: -163.988 flat angles P-C4'-P energy: -123.944 tors. eta vs tors. theta energy: -159.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1950.345680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.345680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.345680 (E_RNA) where: Base-Base interactions energy: -1264.306 where: short stacking energy: -577.359 Base-Backbone interact. energy: -0.630 local terms energy: -685.409584 where: bonds (distance) C4'-P energy: -135.751 bonds (distance) P-C4' energy: -147.601 flat angles C4'-P-C4' energy: -169.071 flat angles P-C4'-P energy: -93.767 tors. eta vs tors. theta energy: -139.220 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: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1864.759293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.759293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.759293 (E_RNA) where: Base-Base interactions energy: -1202.073 where: short stacking energy: -565.766 Base-Backbone interact. energy: 1.022 local terms energy: -663.708514 where: bonds (distance) C4'-P energy: -148.213 bonds (distance) P-C4' energy: -134.819 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -92.956 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: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1432.196959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.196959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.196959 (E_RNA) where: Base-Base interactions energy: -892.276 where: short stacking energy: -434.274 Base-Backbone interact. energy: -0.942 local terms energy: -538.978822 where: bonds (distance) C4'-P energy: -126.413 bonds (distance) P-C4' energy: -139.035 flat angles C4'-P-C4' energy: -141.020 flat angles P-C4'-P energy: -79.451 tors. eta vs tors. theta energy: -53.059 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: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1273.273839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.273839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.273839 (E_RNA) where: Base-Base interactions energy: -737.741 where: short stacking energy: -371.157 Base-Backbone interact. energy: -3.561 local terms energy: -531.971624 where: bonds (distance) C4'-P energy: -120.052 bonds (distance) P-C4' energy: -152.692 flat angles C4'-P-C4' energy: -144.572 flat angles P-C4'-P energy: -72.578 tors. eta vs tors. theta energy: -42.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1212.304593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.304593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.304593 (E_RNA) where: Base-Base interactions energy: -683.396 where: short stacking energy: -351.017 Base-Backbone interact. energy: 1.661 local terms energy: -530.569474 where: bonds (distance) C4'-P energy: -126.677 bonds (distance) P-C4' energy: -145.374 flat angles C4'-P-C4' energy: -127.014 flat angles P-C4'-P energy: -78.073 tors. eta vs tors. theta energy: -53.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -2673.165364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.165364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.165364 (E_RNA) where: Base-Base interactions energy: -1865.215 where: short stacking energy: -765.924 Base-Backbone interact. energy: -3.501 local terms energy: -804.449724 where: bonds (distance) C4'-P energy: -157.574 bonds (distance) P-C4' energy: -166.935 flat angles C4'-P-C4' energy: -177.041 flat angles P-C4'-P energy: -112.501 tors. eta vs tors. theta energy: -190.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2564.255588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.255588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.255588 (E_RNA) where: Base-Base interactions energy: -1759.810 where: short stacking energy: -763.667 Base-Backbone interact. energy: -2.957 local terms energy: -801.489387 where: bonds (distance) C4'-P energy: -146.203 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -168.310 flat angles P-C4'-P energy: -121.343 tors. eta vs tors. theta energy: -203.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2497.125576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.125576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.125576 (E_RNA) where: Base-Base interactions energy: -1674.802 where: short stacking energy: -753.540 Base-Backbone interact. energy: 0.574 local terms energy: -822.898328 where: bonds (distance) C4'-P energy: -157.526 bonds (distance) P-C4' energy: -163.133 flat angles C4'-P-C4' energy: -180.749 flat angles P-C4'-P energy: -120.943 tors. eta vs tors. theta energy: -200.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2323.560078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.560078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.560078 (E_RNA) where: Base-Base interactions energy: -1571.600 where: short stacking energy: -737.630 Base-Backbone interact. energy: -0.357 local terms energy: -751.603240 where: bonds (distance) C4'-P energy: -146.840 bonds (distance) P-C4' energy: -140.224 flat angles C4'-P-C4' energy: -170.081 flat angles P-C4'-P energy: -100.195 tors. eta vs tors. theta energy: -194.262 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: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2216.691368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.691368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.691368 (E_RNA) where: Base-Base interactions energy: -1467.042 where: short stacking energy: -651.789 Base-Backbone interact. energy: -5.373 local terms energy: -744.275663 where: bonds (distance) C4'-P energy: -133.577 bonds (distance) P-C4' energy: -162.594 flat angles C4'-P-C4' energy: -161.721 flat angles P-C4'-P energy: -120.367 tors. eta vs tors. theta energy: -166.016 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: 80 Temperature: 1.150000 Total energy: -1961.772060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.772060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.772060 (E_RNA) where: Base-Base interactions energy: -1299.387 where: short stacking energy: -603.803 Base-Backbone interact. energy: -0.934 local terms energy: -661.451582 where: bonds (distance) C4'-P energy: -138.118 bonds (distance) P-C4' energy: -131.372 flat angles C4'-P-C4' energy: -147.289 flat angles P-C4'-P energy: -103.496 tors. eta vs tors. theta energy: -141.176 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: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1846.499969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.499969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.499969 (E_RNA) where: Base-Base interactions energy: -1222.292 where: short stacking energy: -566.295 Base-Backbone interact. energy: -0.429 local terms energy: -623.778849 where: bonds (distance) C4'-P energy: -145.004 bonds (distance) P-C4' energy: -135.287 flat angles C4'-P-C4' energy: -129.715 flat angles P-C4'-P energy: -78.313 tors. eta vs tors. theta energy: -135.459 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: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1454.248965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.248965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.248965 (E_RNA) where: Base-Base interactions energy: -908.189 where: short stacking energy: -438.214 Base-Backbone interact. energy: 0.936 local terms energy: -546.996123 where: bonds (distance) C4'-P energy: -127.422 bonds (distance) P-C4' energy: -144.224 flat angles C4'-P-C4' energy: -140.717 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -59.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1284.916438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.916438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.916438 (E_RNA) where: Base-Base interactions energy: -736.568 where: short stacking energy: -371.052 Base-Backbone interact. energy: -1.013 local terms energy: -547.335588 where: bonds (distance) C4'-P energy: -142.500 bonds (distance) P-C4' energy: -157.184 flat angles C4'-P-C4' energy: -118.771 flat angles P-C4'-P energy: -84.718 tors. eta vs tors. theta energy: -44.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1136.075889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.075889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.075889 (E_RNA) where: Base-Base interactions energy: -641.102 where: short stacking energy: -324.515 Base-Backbone interact. energy: 5.309 local terms energy: -500.283037 where: bonds (distance) C4'-P energy: -143.245 bonds (distance) P-C4' energy: -151.107 flat angles C4'-P-C4' energy: -98.381 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -36.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -2671.560305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.560305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.560305 (E_RNA) where: Base-Base interactions energy: -1873.234 where: short stacking energy: -739.081 Base-Backbone interact. energy: -1.986 local terms energy: -796.340109 where: bonds (distance) C4'-P energy: -155.883 bonds (distance) P-C4' energy: -160.175 flat angles C4'-P-C4' energy: -187.534 flat angles P-C4'-P energy: -112.421 tors. eta vs tors. theta energy: -180.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2573.966220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.966220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.966220 (E_RNA) where: Base-Base interactions energy: -1757.051 where: short stacking energy: -740.916 Base-Backbone interact. energy: -0.722 local terms energy: -816.193062 where: bonds (distance) C4'-P energy: -161.468 bonds (distance) P-C4' energy: -169.424 flat angles C4'-P-C4' energy: -185.811 flat angles P-C4'-P energy: -110.213 tors. eta vs tors. theta energy: -189.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2448.920792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.920792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.920792 (E_RNA) where: Base-Base interactions energy: -1637.683 where: short stacking energy: -739.108 Base-Backbone interact. energy: -5.586 local terms energy: -805.651904 where: bonds (distance) C4'-P energy: -167.721 bonds (distance) P-C4' energy: -162.487 flat angles C4'-P-C4' energy: -169.680 flat angles P-C4'-P energy: -120.601 tors. eta vs tors. theta energy: -185.163 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2345.499770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.499770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.499770 (E_RNA) where: Base-Base interactions energy: -1582.276 where: short stacking energy: -713.789 Base-Backbone interact. energy: -2.590 local terms energy: -760.634062 where: bonds (distance) C4'-P energy: -140.076 bonds (distance) P-C4' energy: -149.862 flat angles C4'-P-C4' energy: -181.249 flat angles P-C4'-P energy: -107.760 tors. eta vs tors. theta energy: -181.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2252.797881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.797881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.797881 (E_RNA) where: Base-Base interactions energy: -1512.043 where: short stacking energy: -679.822 Base-Backbone interact. energy: -4.538 local terms energy: -736.217564 where: bonds (distance) C4'-P energy: -153.152 bonds (distance) P-C4' energy: -147.137 flat angles C4'-P-C4' energy: -164.621 flat angles P-C4'-P energy: -92.940 tors. eta vs tors. theta energy: -178.367 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: 81 Temperature: 1.150000 Total energy: -1990.559993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.559993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.559993 (E_RNA) where: Base-Base interactions energy: -1318.498 where: short stacking energy: -624.905 Base-Backbone interact. energy: -1.505 local terms energy: -670.557434 where: bonds (distance) C4'-P energy: -126.907 bonds (distance) P-C4' energy: -150.822 flat angles C4'-P-C4' energy: -176.501 flat angles P-C4'-P energy: -79.746 tors. eta vs tors. theta energy: -136.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1888.095174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.095174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.095174 (E_RNA) where: Base-Base interactions energy: -1228.313 where: short stacking energy: -576.107 Base-Backbone interact. energy: -1.067 local terms energy: -658.715645 where: bonds (distance) C4'-P energy: -130.969 bonds (distance) P-C4' energy: -149.232 flat angles C4'-P-C4' energy: -152.328 flat angles P-C4'-P energy: -90.552 tors. eta vs tors. theta energy: -135.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1437.470624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.470624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.470624 (E_RNA) where: Base-Base interactions energy: -902.243 where: short stacking energy: -435.972 Base-Backbone interact. energy: -2.361 local terms energy: -532.866324 where: bonds (distance) C4'-P energy: -143.032 bonds (distance) P-C4' energy: -132.890 flat angles C4'-P-C4' energy: -120.416 flat angles P-C4'-P energy: -73.857 tors. eta vs tors. theta energy: -62.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1278.168587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.168587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.168587 (E_RNA) where: Base-Base interactions energy: -736.839 where: short stacking energy: -367.531 Base-Backbone interact. energy: 4.880 local terms energy: -546.209669 where: bonds (distance) C4'-P energy: -145.653 bonds (distance) P-C4' energy: -146.450 flat angles C4'-P-C4' energy: -127.972 flat angles P-C4'-P energy: -69.572 tors. eta vs tors. theta energy: -56.563 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: 81 Temperature: 1.350000 Total energy: -1137.548971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.548971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.548971 (E_RNA) where: Base-Base interactions energy: -652.463 where: short stacking energy: -340.229 Base-Backbone interact. energy: -1.919 local terms energy: -483.166895 where: bonds (distance) C4'-P energy: -122.915 bonds (distance) P-C4' energy: -134.706 flat angles C4'-P-C4' energy: -122.184 flat angles P-C4'-P energy: -69.736 tors. eta vs tors. theta energy: -33.626 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: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -2656.118636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.118636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.118636 (E_RNA) where: Base-Base interactions energy: -1810.198 where: short stacking energy: -761.750 Base-Backbone interact. energy: -7.454 local terms energy: -838.466511 where: bonds (distance) C4'-P energy: -172.807 bonds (distance) P-C4' energy: -168.057 flat angles C4'-P-C4' energy: -183.839 flat angles P-C4'-P energy: -125.355 tors. eta vs tors. theta energy: -188.409 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2519.889771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.889771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.889771 (E_RNA) where: Base-Base interactions energy: -1694.507 where: short stacking energy: -755.295 Base-Backbone interact. energy: -3.734 local terms energy: -821.649226 where: bonds (distance) C4'-P energy: -157.022 bonds (distance) P-C4' energy: -166.476 flat angles C4'-P-C4' energy: -177.768 flat angles P-C4'-P energy: -126.327 tors. eta vs tors. theta energy: -194.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2468.515391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.515391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.515391 (E_RNA) where: Base-Base interactions energy: -1669.136 where: short stacking energy: -764.029 Base-Backbone interact. energy: -2.613 local terms energy: -796.767279 where: bonds (distance) C4'-P energy: -150.709 bonds (distance) P-C4' energy: -162.236 flat angles C4'-P-C4' energy: -170.847 flat angles P-C4'-P energy: -122.569 tors. eta vs tors. theta energy: -190.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2392.754480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.754480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.754480 (E_RNA) where: Base-Base interactions energy: -1599.884 where: short stacking energy: -738.149 Base-Backbone interact. energy: 0.374 local terms energy: -793.244439 where: bonds (distance) C4'-P energy: -149.735 bonds (distance) P-C4' energy: -169.836 flat angles C4'-P-C4' energy: -170.837 flat angles P-C4'-P energy: -104.211 tors. eta vs tors. theta energy: -198.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2159.554081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.554081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.554081 (E_RNA) where: Base-Base interactions energy: -1415.487 where: short stacking energy: -660.038 Base-Backbone interact. energy: -3.051 local terms energy: -741.016354 where: bonds (distance) C4'-P energy: -144.007 bonds (distance) P-C4' energy: -146.706 flat angles C4'-P-C4' energy: -168.790 flat angles P-C4'-P energy: -115.332 tors. eta vs tors. theta energy: -166.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1935.407327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.407327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.407327 (E_RNA) where: Base-Base interactions energy: -1265.556 where: short stacking energy: -600.339 Base-Backbone interact. energy: 0.302 local terms energy: -670.153027 where: bonds (distance) C4'-P energy: -133.743 bonds (distance) P-C4' energy: -143.245 flat angles C4'-P-C4' energy: -161.993 flat angles P-C4'-P energy: -91.741 tors. eta vs tors. theta energy: -139.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1913.418290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.418290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.418290 (E_RNA) where: Base-Base interactions energy: -1232.721 where: short stacking energy: -600.759 Base-Backbone interact. energy: -1.366 local terms energy: -679.331050 where: bonds (distance) C4'-P energy: -117.459 bonds (distance) P-C4' energy: -147.073 flat angles C4'-P-C4' energy: -158.420 flat angles P-C4'-P energy: -98.755 tors. eta vs tors. theta energy: -157.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1507.565492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.565492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.565492 (E_RNA) where: Base-Base interactions energy: -920.474 where: short stacking energy: -418.992 Base-Backbone interact. energy: -0.534 local terms energy: -586.556954 where: bonds (distance) C4'-P energy: -135.551 bonds (distance) P-C4' energy: -149.574 flat angles C4'-P-C4' energy: -138.413 flat angles P-C4'-P energy: -92.134 tors. eta vs tors. theta energy: -70.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1233.554094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.554094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.554094 (E_RNA) where: Base-Base interactions energy: -727.721 where: short stacking energy: -363.895 Base-Backbone interact. energy: 10.274 local terms energy: -516.106925 where: bonds (distance) C4'-P energy: -135.117 bonds (distance) P-C4' energy: -125.566 flat angles C4'-P-C4' energy: -152.368 flat angles P-C4'-P energy: -74.770 tors. eta vs tors. theta energy: -28.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1096.903936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.903936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.903936 (E_RNA) where: Base-Base interactions energy: -621.212 where: short stacking energy: -333.233 Base-Backbone interact. energy: 2.426 local terms energy: -478.117206 where: bonds (distance) C4'-P energy: -113.539 bonds (distance) P-C4' energy: -121.195 flat angles C4'-P-C4' energy: -117.853 flat angles P-C4'-P energy: -80.806 tors. eta vs tors. theta energy: -44.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -2709.986005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.986005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.986005 (E_RNA) where: Base-Base interactions energy: -1866.149 where: short stacking energy: -756.289 Base-Backbone interact. energy: -2.799 local terms energy: -841.038157 where: bonds (distance) C4'-P energy: -171.442 bonds (distance) P-C4' energy: -174.037 flat angles C4'-P-C4' energy: -186.430 flat angles P-C4'-P energy: -118.417 tors. eta vs tors. theta energy: -190.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2522.026790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.026790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.026790 (E_RNA) where: Base-Base interactions energy: -1740.859 where: short stacking energy: -780.072 Base-Backbone interact. energy: -2.981 local terms energy: -778.186343 where: bonds (distance) C4'-P energy: -138.709 bonds (distance) P-C4' energy: -162.369 flat angles C4'-P-C4' energy: -175.812 flat angles P-C4'-P energy: -119.392 tors. eta vs tors. theta energy: -181.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2489.660677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.660677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.660677 (E_RNA) where: Base-Base interactions energy: -1686.504 where: short stacking energy: -771.007 Base-Backbone interact. energy: -2.053 local terms energy: -801.103310 where: bonds (distance) C4'-P energy: -163.437 bonds (distance) P-C4' energy: -156.019 flat angles C4'-P-C4' energy: -187.130 flat angles P-C4'-P energy: -95.277 tors. eta vs tors. theta energy: -199.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2371.634823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.634823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.634823 (E_RNA) where: Base-Base interactions energy: -1574.239 where: short stacking energy: -759.436 Base-Backbone interact. energy: 0.434 local terms energy: -797.829901 where: bonds (distance) C4'-P energy: -133.218 bonds (distance) P-C4' energy: -168.054 flat angles C4'-P-C4' energy: -179.614 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -208.757 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: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2161.086046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.086046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.086046 (E_RNA) where: Base-Base interactions energy: -1431.641 where: short stacking energy: -644.486 Base-Backbone interact. energy: -3.755 local terms energy: -725.690431 where: bonds (distance) C4'-P energy: -147.999 bonds (distance) P-C4' energy: -148.563 flat angles C4'-P-C4' energy: -150.837 flat angles P-C4'-P energy: -114.296 tors. eta vs tors. theta energy: -163.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1997.311424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.311424 (E_RNA) where: Base-Base interactions energy: -1339.173 where: short stacking energy: -599.594 Base-Backbone interact. energy: -0.602 local terms energy: -657.536271 where: bonds (distance) C4'-P energy: -140.756 bonds (distance) P-C4' energy: -138.960 flat angles C4'-P-C4' energy: -155.323 flat angles P-C4'-P energy: -107.331 tors. eta vs tors. theta energy: -115.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1862.065283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.065283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.065283 (E_RNA) where: Base-Base interactions energy: -1217.881 where: short stacking energy: -561.252 Base-Backbone interact. energy: -5.099 local terms energy: -639.084699 where: bonds (distance) C4'-P energy: -125.814 bonds (distance) P-C4' energy: -125.395 flat angles C4'-P-C4' energy: -154.925 flat angles P-C4'-P energy: -84.809 tors. eta vs tors. theta energy: -148.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1554.409954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.409954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.409954 (E_RNA) where: Base-Base interactions energy: -955.646 where: short stacking energy: -445.284 Base-Backbone interact. energy: 0.972 local terms energy: -599.735121 where: bonds (distance) C4'-P energy: -132.170 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -152.403 flat angles P-C4'-P energy: -65.888 tors. eta vs tors. theta energy: -103.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1218.503969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.503969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.503969 (E_RNA) where: Base-Base interactions energy: -704.688 where: short stacking energy: -341.684 Base-Backbone interact. energy: -1.226 local terms energy: -512.589369 where: bonds (distance) C4'-P energy: -146.384 bonds (distance) P-C4' energy: -141.555 flat angles C4'-P-C4' energy: -115.091 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -35.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1120.109672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.109672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.109672 (E_RNA) where: Base-Base interactions energy: -630.970 where: short stacking energy: -349.895 Base-Backbone interact. energy: 1.419 local terms energy: -490.557913 where: bonds (distance) C4'-P energy: -113.662 bonds (distance) P-C4' energy: -138.296 flat angles C4'-P-C4' energy: -139.956 flat angles P-C4'-P energy: -72.360 tors. eta vs tors. theta energy: -26.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -2766.659914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.659914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.659914 (E_RNA) where: Base-Base interactions energy: -1923.612 where: short stacking energy: -812.396 Base-Backbone interact. energy: -4.295 local terms energy: -838.753137 where: bonds (distance) C4'-P energy: -158.613 bonds (distance) P-C4' energy: -175.980 flat angles C4'-P-C4' energy: -196.675 flat angles P-C4'-P energy: -112.569 tors. eta vs tors. theta energy: -194.916 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2540.120031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.120031 (E_RNA) where: Base-Base interactions energy: -1737.608 where: short stacking energy: -768.568 Base-Backbone interact. energy: -1.747 local terms energy: -800.765242 where: bonds (distance) C4'-P energy: -151.052 bonds (distance) P-C4' energy: -163.115 flat angles C4'-P-C4' energy: -177.327 flat angles P-C4'-P energy: -112.121 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: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2518.403408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.403408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.403408 (E_RNA) where: Base-Base interactions energy: -1695.973 where: short stacking energy: -773.524 Base-Backbone interact. energy: -1.572 local terms energy: -820.857949 where: bonds (distance) C4'-P energy: -167.489 bonds (distance) P-C4' energy: -152.056 flat angles C4'-P-C4' energy: -176.829 flat angles P-C4'-P energy: -121.018 tors. eta vs tors. theta energy: -203.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2303.717134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.717134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.717134 (E_RNA) where: Base-Base interactions energy: -1509.332 where: short stacking energy: -715.987 Base-Backbone interact. energy: -1.025 local terms energy: -793.360443 where: bonds (distance) C4'-P energy: -146.062 bonds (distance) P-C4' energy: -161.424 flat angles C4'-P-C4' energy: -173.873 flat angles P-C4'-P energy: -114.207 tors. eta vs tors. theta energy: -197.794 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: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2099.450934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.450934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.450934 (E_RNA) where: Base-Base interactions energy: -1377.014 where: short stacking energy: -642.893 Base-Backbone interact. energy: -3.670 local terms energy: -718.766404 where: bonds (distance) C4'-P energy: -154.350 bonds (distance) P-C4' energy: -166.715 flat angles C4'-P-C4' energy: -156.327 flat angles P-C4'-P energy: -89.363 tors. eta vs tors. theta energy: -152.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2083.267085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.267085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.267085 (E_RNA) where: Base-Base interactions energy: -1371.213 where: short stacking energy: -623.052 Base-Backbone interact. energy: -0.540 local terms energy: -711.514087 where: bonds (distance) C4'-P energy: -147.661 bonds (distance) P-C4' energy: -154.569 flat angles C4'-P-C4' energy: -154.779 flat angles P-C4'-P energy: -101.880 tors. eta vs tors. theta energy: -152.625 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: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1905.982516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.982516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.982516 (E_RNA) where: Base-Base interactions energy: -1277.150 where: short stacking energy: -576.220 Base-Backbone interact. energy: 2.409 local terms energy: -631.242409 where: bonds (distance) C4'-P energy: -136.698 bonds (distance) P-C4' energy: -140.399 flat angles C4'-P-C4' energy: -147.617 flat angles P-C4'-P energy: -76.095 tors. eta vs tors. theta energy: -130.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1565.126091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.126091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.126091 (E_RNA) where: Base-Base interactions energy: -982.501 where: short stacking energy: -471.786 Base-Backbone interact. energy: 1.850 local terms energy: -584.475229 where: bonds (distance) C4'-P energy: -123.854 bonds (distance) P-C4' energy: -142.567 flat angles C4'-P-C4' energy: -145.084 flat angles P-C4'-P energy: -88.178 tors. eta vs tors. theta energy: -84.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1213.463790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.463790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.463790 (E_RNA) where: Base-Base interactions energy: -696.292 where: short stacking energy: -371.460 Base-Backbone interact. energy: 0.189 local terms energy: -517.361383 where: bonds (distance) C4'-P energy: -133.866 bonds (distance) P-C4' energy: -132.952 flat angles C4'-P-C4' energy: -123.361 flat angles P-C4'-P energy: -87.626 tors. eta vs tors. theta energy: -39.556 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: 10 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -996.143643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.143643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.143643 (E_RNA) where: Base-Base interactions energy: -530.134 where: short stacking energy: -269.759 Base-Backbone interact. energy: -1.344 local terms energy: -464.666204 where: bonds (distance) C4'-P energy: -142.588 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -114.856 flat angles P-C4'-P energy: -56.324 tors. eta vs tors. theta energy: -1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -2724.647509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.647509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.647509 (E_RNA) where: Base-Base interactions energy: -1901.300 where: short stacking energy: -788.294 Base-Backbone interact. energy: -0.684 local terms energy: -822.664019 where: bonds (distance) C4'-P energy: -155.113 bonds (distance) P-C4' energy: -174.871 flat angles C4'-P-C4' energy: -178.973 flat angles P-C4'-P energy: -111.445 tors. eta vs tors. theta energy: -202.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2558.847308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.847308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.847308 (E_RNA) where: Base-Base interactions energy: -1730.965 where: short stacking energy: -776.817 Base-Backbone interact. energy: -0.424 local terms energy: -827.458449 where: bonds (distance) C4'-P energy: -170.880 bonds (distance) P-C4' energy: -166.293 flat angles C4'-P-C4' energy: -170.867 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -196.806 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: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2503.524013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.524013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.524013 (E_RNA) where: Base-Base interactions energy: -1694.464 where: short stacking energy: -756.941 Base-Backbone interact. energy: -4.027 local terms energy: -805.032749 where: bonds (distance) C4'-P energy: -161.095 bonds (distance) P-C4' energy: -153.296 flat angles C4'-P-C4' energy: -176.022 flat angles P-C4'-P energy: -114.627 tors. eta vs tors. theta energy: -199.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2361.278567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.278567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.278567 (E_RNA) where: Base-Base interactions energy: -1523.495 where: short stacking energy: -734.440 Base-Backbone interact. energy: -3.484 local terms energy: -834.299375 where: bonds (distance) C4'-P energy: -168.187 bonds (distance) P-C4' energy: -160.217 flat angles C4'-P-C4' energy: -176.977 flat angles P-C4'-P energy: -121.430 tors. eta vs tors. theta energy: -207.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2039.337655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.337655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.337655 (E_RNA) where: Base-Base interactions energy: -1336.933 where: short stacking energy: -630.442 Base-Backbone interact. energy: -1.117 local terms energy: -701.287147 where: bonds (distance) C4'-P energy: -141.785 bonds (distance) P-C4' energy: -164.605 flat angles C4'-P-C4' energy: -153.129 flat angles P-C4'-P energy: -92.936 tors. eta vs tors. theta energy: -148.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2113.778209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.778209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.778209 (E_RNA) where: Base-Base interactions energy: -1423.346 where: short stacking energy: -629.751 Base-Backbone interact. energy: 3.697 local terms energy: -694.128824 where: bonds (distance) C4'-P energy: -122.875 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -148.680 flat angles P-C4'-P energy: -108.066 tors. eta vs tors. theta energy: -162.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1936.974770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.974770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.974770 (E_RNA) where: Base-Base interactions energy: -1308.765 where: short stacking energy: -613.618 Base-Backbone interact. energy: 0.855 local terms energy: -629.065684 where: bonds (distance) C4'-P energy: -129.766 bonds (distance) P-C4' energy: -120.956 flat angles C4'-P-C4' energy: -147.788 flat angles P-C4'-P energy: -93.402 tors. eta vs tors. theta energy: -137.153 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: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1513.300444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.300444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.300444 (E_RNA) where: Base-Base interactions energy: -945.130 where: short stacking energy: -445.224 Base-Backbone interact. energy: 0.227 local terms energy: -568.397045 where: bonds (distance) C4'-P energy: -122.254 bonds (distance) P-C4' energy: -149.690 flat angles C4'-P-C4' energy: -139.920 flat angles P-C4'-P energy: -84.540 tors. eta vs tors. theta energy: -71.992 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: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1194.218053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.218053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.218053 (E_RNA) where: Base-Base interactions energy: -699.986 where: short stacking energy: -349.182 Base-Backbone interact. energy: 5.442 local terms energy: -499.673672 where: bonds (distance) C4'-P energy: -146.017 bonds (distance) P-C4' energy: -141.917 flat angles C4'-P-C4' energy: -116.416 flat angles P-C4'-P energy: -60.647 tors. eta vs tors. theta energy: -34.676 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: 85 Temperature: 1.350000 Total energy: -926.160154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.160154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.160154 (E_RNA) where: Base-Base interactions energy: -471.911 where: short stacking energy: -254.810 Base-Backbone interact. energy: -0.923 local terms energy: -453.326431 where: bonds (distance) C4'-P energy: -137.250 bonds (distance) P-C4' energy: -129.540 flat angles C4'-P-C4' energy: -123.511 flat angles P-C4'-P energy: -71.330 tors. eta vs tors. theta energy: 8.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -2732.827127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.827127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.827127 (E_RNA) where: Base-Base interactions energy: -1901.762 where: short stacking energy: -798.640 Base-Backbone interact. energy: -0.553 local terms energy: -830.512127 where: bonds (distance) C4'-P energy: -165.484 bonds (distance) P-C4' energy: -169.997 flat angles C4'-P-C4' energy: -181.201 flat angles P-C4'-P energy: -110.875 tors. eta vs tors. theta energy: -202.955 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: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2557.440199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.440199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.440199 (E_RNA) where: Base-Base interactions energy: -1721.583 where: short stacking energy: -772.248 Base-Backbone interact. energy: -3.062 local terms energy: -832.796025 where: bonds (distance) C4'-P energy: -151.477 bonds (distance) P-C4' energy: -176.648 flat angles C4'-P-C4' energy: -181.985 flat angles P-C4'-P energy: -129.399 tors. eta vs tors. theta energy: -193.287 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: 86 Temperature: 1.000000 Total energy: -2478.455758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.455758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.455758 (E_RNA) where: Base-Base interactions energy: -1677.626 where: short stacking energy: -749.879 Base-Backbone interact. energy: 2.412 local terms energy: -803.242034 where: bonds (distance) C4'-P energy: -151.136 bonds (distance) P-C4' energy: -173.400 flat angles C4'-P-C4' energy: -176.299 flat angles P-C4'-P energy: -114.348 tors. eta vs tors. theta energy: -188.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2363.187750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.187750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.187750 (E_RNA) where: Base-Base interactions energy: -1594.346 where: short stacking energy: -717.302 Base-Backbone interact. energy: 0.894 local terms energy: -769.736607 where: bonds (distance) C4'-P energy: -128.603 bonds (distance) P-C4' energy: -165.813 flat angles C4'-P-C4' energy: -171.448 flat angles P-C4'-P energy: -107.072 tors. eta vs tors. theta energy: -196.799 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: 7 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2150.499997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.499997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.499997 (E_RNA) where: Base-Base interactions energy: -1444.605 where: short stacking energy: -651.658 Base-Backbone interact. energy: -1.781 local terms energy: -704.114086 where: bonds (distance) C4'-P energy: -148.658 bonds (distance) P-C4' energy: -139.417 flat angles C4'-P-C4' energy: -159.836 flat angles P-C4'-P energy: -88.231 tors. eta vs tors. theta energy: -167.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1983.775967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.775967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.775967 (E_RNA) where: Base-Base interactions energy: -1308.004 where: short stacking energy: -594.268 Base-Backbone interact. energy: -1.693 local terms energy: -674.078673 where: bonds (distance) C4'-P energy: -155.307 bonds (distance) P-C4' energy: -153.855 flat angles C4'-P-C4' energy: -136.494 flat angles P-C4'-P energy: -91.696 tors. eta vs tors. theta energy: -136.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1908.626011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.626011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.626011 (E_RNA) where: Base-Base interactions energy: -1220.661 where: short stacking energy: -609.733 Base-Backbone interact. energy: 3.278 local terms energy: -691.243244 where: bonds (distance) C4'-P energy: -141.189 bonds (distance) P-C4' energy: -145.373 flat angles C4'-P-C4' energy: -151.328 flat angles P-C4'-P energy: -94.241 tors. eta vs tors. theta energy: -159.112 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: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1594.906363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.906363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.906363 (E_RNA) where: Base-Base interactions energy: -1006.437 where: short stacking energy: -482.739 Base-Backbone interact. energy: 0.552 local terms energy: -589.021398 where: bonds (distance) C4'-P energy: -137.462 bonds (distance) P-C4' energy: -133.434 flat angles C4'-P-C4' energy: -136.694 flat angles P-C4'-P energy: -89.696 tors. eta vs tors. theta energy: -91.736 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: 86 Temperature: 1.300000 Total energy: -1175.530778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.530778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.530778 (E_RNA) where: Base-Base interactions energy: -661.093 where: short stacking energy: -330.058 Base-Backbone interact. energy: 2.069 local terms energy: -516.507505 where: bonds (distance) C4'-P energy: -127.879 bonds (distance) P-C4' energy: -124.161 flat angles C4'-P-C4' energy: -160.511 flat angles P-C4'-P energy: -72.955 tors. eta vs tors. theta energy: -31.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1043.372035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.372035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.372035 (E_RNA) where: Base-Base interactions energy: -542.237 where: short stacking energy: -272.679 Base-Backbone interact. energy: -3.672 local terms energy: -497.462920 where: bonds (distance) C4'-P energy: -125.308 bonds (distance) P-C4' energy: -153.754 flat angles C4'-P-C4' energy: -110.989 flat angles P-C4'-P energy: -98.091 tors. eta vs tors. theta energy: -9.321 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: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -2778.427144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.427144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.427144 (E_RNA) where: Base-Base interactions energy: -1932.115 where: short stacking energy: -810.467 Base-Backbone interact. energy: -5.585 local terms energy: -840.727248 where: bonds (distance) C4'-P energy: -170.376 bonds (distance) P-C4' energy: -160.255 flat angles C4'-P-C4' energy: -178.642 flat angles P-C4'-P energy: -134.259 tors. eta vs tors. theta energy: -197.195 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: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2562.657400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.657400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.657400 (E_RNA) where: Base-Base interactions energy: -1726.832 where: short stacking energy: -785.802 Base-Backbone interact. energy: -2.931 local terms energy: -832.894742 where: bonds (distance) C4'-P energy: -159.836 bonds (distance) P-C4' energy: -172.171 flat angles C4'-P-C4' energy: -179.818 flat angles P-C4'-P energy: -129.341 tors. eta vs tors. theta energy: -191.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2453.693346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.693346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.693346 (E_RNA) where: Base-Base interactions energy: -1661.843 where: short stacking energy: -742.435 Base-Backbone interact. energy: -5.412 local terms energy: -786.437616 where: bonds (distance) C4'-P energy: -135.157 bonds (distance) P-C4' energy: -175.998 flat angles C4'-P-C4' energy: -188.009 flat angles P-C4'-P energy: -101.998 tors. eta vs tors. theta energy: -185.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2420.235867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.235867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.235867 (E_RNA) where: Base-Base interactions energy: -1654.758 where: short stacking energy: -737.300 Base-Backbone interact. energy: -0.733 local terms energy: -764.744314 where: bonds (distance) C4'-P energy: -143.963 bonds (distance) P-C4' energy: -159.736 flat angles C4'-P-C4' energy: -154.537 flat angles P-C4'-P energy: -98.224 tors. eta vs tors. theta energy: -208.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2159.809248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.809248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.809248 (E_RNA) where: Base-Base interactions energy: -1451.357 where: short stacking energy: -655.196 Base-Backbone interact. energy: 1.601 local terms energy: -710.053515 where: bonds (distance) C4'-P energy: -147.663 bonds (distance) P-C4' energy: -126.645 flat angles C4'-P-C4' energy: -180.477 flat angles P-C4'-P energy: -100.928 tors. eta vs tors. theta energy: -154.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2027.475095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.475095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.475095 (E_RNA) where: Base-Base interactions energy: -1329.640 where: short stacking energy: -611.647 Base-Backbone interact. energy: -2.815 local terms energy: -695.019645 where: bonds (distance) C4'-P energy: -132.852 bonds (distance) P-C4' energy: -169.578 flat angles C4'-P-C4' energy: -166.979 flat angles P-C4'-P energy: -91.058 tors. eta vs tors. theta energy: -134.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1875.814696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.814696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.814696 (E_RNA) where: Base-Base interactions energy: -1226.863 where: short stacking energy: -565.717 Base-Backbone interact. energy: -6.408 local terms energy: -642.544026 where: bonds (distance) C4'-P energy: -121.492 bonds (distance) P-C4' energy: -139.867 flat angles C4'-P-C4' energy: -160.738 flat angles P-C4'-P energy: -89.775 tors. eta vs tors. theta energy: -130.672 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: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1524.980173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.980173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.980173 (E_RNA) where: Base-Base interactions energy: -936.622 where: short stacking energy: -457.507 Base-Backbone interact. energy: -4.733 local terms energy: -583.625115 where: bonds (distance) C4'-P energy: -147.180 bonds (distance) P-C4' energy: -147.911 flat angles C4'-P-C4' energy: -153.491 flat angles P-C4'-P energy: -73.559 tors. eta vs tors. theta energy: -61.485 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: 8 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1181.130165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.130165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.130165 (E_RNA) where: Base-Base interactions energy: -692.373 where: short stacking energy: -342.410 Base-Backbone interact. energy: 1.404 local terms energy: -490.161848 where: bonds (distance) C4'-P energy: -124.801 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -130.715 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -33.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1002.316803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.316803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.316803 (E_RNA) where: Base-Base interactions energy: -546.579 where: short stacking energy: -279.805 Base-Backbone interact. energy: -2.341 local terms energy: -453.396258 where: bonds (distance) C4'-P energy: -119.820 bonds (distance) P-C4' energy: -137.112 flat angles C4'-P-C4' energy: -124.654 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: 1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -2730.957932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.957932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.957932 (E_RNA) where: Base-Base interactions energy: -1909.115 where: short stacking energy: -789.410 Base-Backbone interact. energy: 0.139 local terms energy: -821.982654 where: bonds (distance) C4'-P energy: -156.704 bonds (distance) P-C4' energy: -180.019 flat angles C4'-P-C4' energy: -175.683 flat angles P-C4'-P energy: -118.399 tors. eta vs tors. theta energy: -191.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2611.112841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.112841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.112841 (E_RNA) where: Base-Base interactions energy: -1771.068 where: short stacking energy: -819.899 Base-Backbone interact. energy: 2.548 local terms energy: -842.593041 where: bonds (distance) C4'-P energy: -159.063 bonds (distance) P-C4' energy: -168.849 flat angles C4'-P-C4' energy: -184.962 flat angles P-C4'-P energy: -127.522 tors. eta vs tors. theta energy: -202.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2444.810030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.810030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.810030 (E_RNA) where: Base-Base interactions energy: -1649.875 where: short stacking energy: -723.977 Base-Backbone interact. energy: -4.806 local terms energy: -790.129074 where: bonds (distance) C4'-P energy: -152.305 bonds (distance) P-C4' energy: -156.955 flat angles C4'-P-C4' energy: -169.918 flat angles P-C4'-P energy: -110.258 tors. eta vs tors. theta energy: -200.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2411.635779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.635779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.635779 (E_RNA) where: Base-Base interactions energy: -1611.346 where: short stacking energy: -768.040 Base-Backbone interact. energy: 0.717 local terms energy: -801.006882 where: bonds (distance) C4'-P energy: -153.486 bonds (distance) P-C4' energy: -157.465 flat angles C4'-P-C4' energy: -177.312 flat angles P-C4'-P energy: -111.850 tors. eta vs tors. theta energy: -200.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2124.203468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.203468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.203468 (E_RNA) where: Base-Base interactions energy: -1421.017 where: short stacking energy: -658.722 Base-Backbone interact. energy: -2.849 local terms energy: -700.337232 where: bonds (distance) C4'-P energy: -145.027 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -172.002 flat angles P-C4'-P energy: -86.977 tors. eta vs tors. theta energy: -145.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1955.492537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.492537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.492537 (E_RNA) where: Base-Base interactions energy: -1306.890 where: short stacking energy: -590.863 Base-Backbone interact. energy: -1.469 local terms energy: -647.134017 where: bonds (distance) C4'-P energy: -146.001 bonds (distance) P-C4' energy: -132.500 flat angles C4'-P-C4' energy: -150.959 flat angles P-C4'-P energy: -92.684 tors. eta vs tors. theta energy: -124.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1880.644276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.644276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.644276 (E_RNA) where: Base-Base interactions energy: -1218.331 where: short stacking energy: -557.343 Base-Backbone interact. energy: -0.266 local terms energy: -662.047758 where: bonds (distance) C4'-P energy: -147.778 bonds (distance) P-C4' energy: -154.271 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -91.620 tors. eta vs tors. theta energy: -123.136 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: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1524.420970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.420970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.420970 (E_RNA) where: Base-Base interactions energy: -951.193 where: short stacking energy: -446.105 Base-Backbone interact. energy: -2.632 local terms energy: -570.595789 where: bonds (distance) C4'-P energy: -131.804 bonds (distance) P-C4' energy: -143.457 flat angles C4'-P-C4' energy: -121.135 flat angles P-C4'-P energy: -94.200 tors. eta vs tors. theta energy: -79.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1122.540957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.540957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.540957 (E_RNA) where: Base-Base interactions energy: -616.717 where: short stacking energy: -325.570 Base-Backbone interact. energy: -2.899 local terms energy: -502.924932 where: bonds (distance) C4'-P energy: -130.600 bonds (distance) P-C4' energy: -124.527 flat angles C4'-P-C4' energy: -130.577 flat angles P-C4'-P energy: -80.941 tors. eta vs tors. theta energy: -36.279 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: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1050.524363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.524363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.524363 (E_RNA) where: Base-Base interactions energy: -564.903 where: short stacking energy: -275.056 Base-Backbone interact. energy: 1.135 local terms energy: -486.755970 where: bonds (distance) C4'-P energy: -146.133 bonds (distance) P-C4' energy: -144.632 flat angles C4'-P-C4' energy: -127.740 flat angles P-C4'-P energy: -64.526 tors. eta vs tors. theta energy: -3.725 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: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -2720.652724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.652724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.652724 (E_RNA) where: Base-Base interactions energy: -1865.910 where: short stacking energy: -766.903 Base-Backbone interact. energy: -4.948 local terms energy: -849.795378 where: bonds (distance) C4'-P energy: -161.459 bonds (distance) P-C4' energy: -180.721 flat angles C4'-P-C4' energy: -186.489 flat angles P-C4'-P energy: -127.892 tors. eta vs tors. theta energy: -193.234 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: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2572.304369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.304369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.304369 (E_RNA) where: Base-Base interactions energy: -1750.164 where: short stacking energy: -785.991 Base-Backbone interact. energy: -7.489 local terms energy: -814.651231 where: bonds (distance) C4'-P energy: -163.219 bonds (distance) P-C4' energy: -162.011 flat angles C4'-P-C4' energy: -181.886 flat angles P-C4'-P energy: -116.494 tors. eta vs tors. theta energy: -191.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2480.568843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.568843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.568843 (E_RNA) where: Base-Base interactions energy: -1669.463 where: short stacking energy: -742.163 Base-Backbone interact. energy: -5.433 local terms energy: -805.672841 where: bonds (distance) C4'-P energy: -152.702 bonds (distance) P-C4' energy: -182.905 flat angles C4'-P-C4' energy: -171.706 flat angles P-C4'-P energy: -115.022 tors. eta vs tors. theta energy: -183.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2429.577803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.577803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.577803 (E_RNA) where: Base-Base interactions energy: -1639.276 where: short stacking energy: -743.713 Base-Backbone interact. energy: -0.640 local terms energy: -789.661751 where: bonds (distance) C4'-P energy: -163.059 bonds (distance) P-C4' energy: -150.958 flat angles C4'-P-C4' energy: -163.087 flat angles P-C4'-P energy: -125.957 tors. eta vs tors. theta energy: -186.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2163.996709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.996709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.996709 (E_RNA) where: Base-Base interactions energy: -1436.800 where: short stacking energy: -629.633 Base-Backbone interact. energy: -3.029 local terms energy: -724.167678 where: bonds (distance) C4'-P energy: -164.146 bonds (distance) P-C4' energy: -149.198 flat angles C4'-P-C4' energy: -148.933 flat angles P-C4'-P energy: -107.849 tors. eta vs tors. theta energy: -154.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1946.527105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.527105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.527105 (E_RNA) where: Base-Base interactions energy: -1292.541 where: short stacking energy: -570.619 Base-Backbone interact. energy: -1.111 local terms energy: -652.875176 where: bonds (distance) C4'-P energy: -133.949 bonds (distance) P-C4' energy: -154.149 flat angles C4'-P-C4' energy: -137.668 flat angles P-C4'-P energy: -100.630 tors. eta vs tors. theta energy: -126.480 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: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1970.838972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.838972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.838972 (E_RNA) where: Base-Base interactions energy: -1264.764 where: short stacking energy: -592.700 Base-Backbone interact. energy: 1.334 local terms energy: -707.408654 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -145.744 flat angles C4'-P-C4' energy: -166.340 flat angles P-C4'-P energy: -114.923 tors. eta vs tors. theta energy: -144.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1582.187805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.187805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.187805 (E_RNA) where: Base-Base interactions energy: -975.756 where: short stacking energy: -457.102 Base-Backbone interact. energy: -4.187 local terms energy: -602.245254 where: bonds (distance) C4'-P energy: -150.480 bonds (distance) P-C4' energy: -136.428 flat angles C4'-P-C4' energy: -132.939 flat angles P-C4'-P energy: -91.245 tors. eta vs tors. theta energy: -91.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1189.635934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.635934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.635934 (E_RNA) where: Base-Base interactions energy: -673.203 where: short stacking energy: -355.668 Base-Backbone interact. energy: -3.363 local terms energy: -513.070013 where: bonds (distance) C4'-P energy: -141.496 bonds (distance) P-C4' energy: -137.529 flat angles C4'-P-C4' energy: -140.665 flat angles P-C4'-P energy: -57.411 tors. eta vs tors. theta energy: -35.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1051.502179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.502179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.502179 (E_RNA) where: Base-Base interactions energy: -612.603 where: short stacking energy: -310.011 Base-Backbone interact. energy: 3.616 local terms energy: -442.515839 where: bonds (distance) C4'-P energy: -152.049 bonds (distance) P-C4' energy: -130.036 flat angles C4'-P-C4' energy: -99.583 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: -7.359 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: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -2735.637404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.637404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.637404 (E_RNA) where: Base-Base interactions energy: -1876.804 where: short stacking energy: -769.461 Base-Backbone interact. energy: -5.027 local terms energy: -853.806555 where: bonds (distance) C4'-P energy: -163.428 bonds (distance) P-C4' energy: -175.500 flat angles C4'-P-C4' energy: -181.761 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -216.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2613.001875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.001875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.001875 (E_RNA) where: Base-Base interactions energy: -1800.436 where: short stacking energy: -782.844 Base-Backbone interact. energy: -3.725 local terms energy: -808.840756 where: bonds (distance) C4'-P energy: -149.609 bonds (distance) P-C4' energy: -162.887 flat angles C4'-P-C4' energy: -173.575 flat angles P-C4'-P energy: -122.164 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: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2497.181051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.181051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.181051 (E_RNA) where: Base-Base interactions energy: -1703.999 where: short stacking energy: -757.737 Base-Backbone interact. energy: -2.618 local terms energy: -790.564920 where: bonds (distance) C4'-P energy: -136.163 bonds (distance) P-C4' energy: -167.352 flat angles C4'-P-C4' energy: -173.088 flat angles P-C4'-P energy: -124.724 tors. eta vs tors. theta energy: -189.238 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: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2390.212421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.212421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.212421 (E_RNA) where: Base-Base interactions energy: -1615.617 where: short stacking energy: -743.707 Base-Backbone interact. energy: -2.629 local terms energy: -771.965832 where: bonds (distance) C4'-P energy: -142.923 bonds (distance) P-C4' energy: -144.978 flat angles C4'-P-C4' energy: -171.640 flat angles P-C4'-P energy: -119.362 tors. eta vs tors. theta energy: -193.063 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: 7 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2195.541090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.541090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.541090 (E_RNA) where: Base-Base interactions energy: -1485.631 where: short stacking energy: -641.396 Base-Backbone interact. energy: -2.156 local terms energy: -707.753998 where: bonds (distance) C4'-P energy: -149.084 bonds (distance) P-C4' energy: -153.473 flat angles C4'-P-C4' energy: -170.962 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -145.733 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: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2016.630923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.630923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.630923 (E_RNA) where: Base-Base interactions energy: -1302.502 where: short stacking energy: -620.494 Base-Backbone interact. energy: -2.778 local terms energy: -711.350885 where: bonds (distance) C4'-P energy: -160.991 bonds (distance) P-C4' energy: -160.420 flat angles C4'-P-C4' energy: -134.178 flat angles P-C4'-P energy: -109.536 tors. eta vs tors. theta energy: -146.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1833.302852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.302852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.302852 (E_RNA) where: Base-Base interactions energy: -1168.457 where: short stacking energy: -545.343 Base-Backbone interact. energy: 1.453 local terms energy: -666.299074 where: bonds (distance) C4'-P energy: -161.648 bonds (distance) P-C4' energy: -132.268 flat angles C4'-P-C4' energy: -157.467 flat angles P-C4'-P energy: -82.874 tors. eta vs tors. theta energy: -132.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1637.654837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.654837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.654837 (E_RNA) where: Base-Base interactions energy: -1079.592 where: short stacking energy: -506.445 Base-Backbone interact. energy: -3.374 local terms energy: -554.689199 where: bonds (distance) C4'-P energy: -138.759 bonds (distance) P-C4' energy: -154.112 flat angles C4'-P-C4' energy: -120.081 flat angles P-C4'-P energy: -60.657 tors. eta vs tors. theta energy: -81.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1184.079821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.079821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.079821 (E_RNA) where: Base-Base interactions energy: -691.269 where: short stacking energy: -360.251 Base-Backbone interact. energy: -3.601 local terms energy: -489.209846 where: bonds (distance) C4'-P energy: -122.727 bonds (distance) P-C4' energy: -136.139 flat angles C4'-P-C4' energy: -122.876 flat angles P-C4'-P energy: -77.813 tors. eta vs tors. theta energy: -29.655 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: 90 Temperature: 1.350000 Total energy: -1084.503752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.503752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.503752 (E_RNA) where: Base-Base interactions energy: -592.406 where: short stacking energy: -321.378 Base-Backbone interact. energy: -4.485 local terms energy: -487.612972 where: bonds (distance) C4'-P energy: -112.882 bonds (distance) P-C4' energy: -137.558 flat angles C4'-P-C4' energy: -144.699 flat angles P-C4'-P energy: -71.517 tors. eta vs tors. theta energy: -20.958 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: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -2732.488078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.488078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.488078 (E_RNA) where: Base-Base interactions energy: -1906.690 where: short stacking energy: -796.225 Base-Backbone interact. energy: -4.838 local terms energy: -820.959612 where: bonds (distance) C4'-P energy: -154.583 bonds (distance) P-C4' energy: -169.852 flat angles C4'-P-C4' energy: -170.666 flat angles P-C4'-P energy: -122.879 tors. eta vs tors. theta energy: -202.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2669.441449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.441449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.441449 (E_RNA) where: Base-Base interactions energy: -1822.813 where: short stacking energy: -810.878 Base-Backbone interact. energy: -0.151 local terms energy: -846.478391 where: bonds (distance) C4'-P energy: -162.019 bonds (distance) P-C4' energy: -176.955 flat angles C4'-P-C4' energy: -177.163 flat angles P-C4'-P energy: -127.112 tors. eta vs tors. theta energy: -203.229 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: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2462.169086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.169086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.169086 (E_RNA) where: Base-Base interactions energy: -1685.368 where: short stacking energy: -751.160 Base-Backbone interact. energy: -6.359 local terms energy: -770.441282 where: bonds (distance) C4'-P energy: -132.746 bonds (distance) P-C4' energy: -159.534 flat angles C4'-P-C4' energy: -171.534 flat angles P-C4'-P energy: -110.291 tors. eta vs tors. theta energy: -196.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2426.368128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.368128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.368128 (E_RNA) where: Base-Base interactions energy: -1635.560 where: short stacking energy: -759.121 Base-Backbone interact. energy: 2.886 local terms energy: -793.693866 where: bonds (distance) C4'-P energy: -150.273 bonds (distance) P-C4' energy: -151.192 flat angles C4'-P-C4' energy: -188.401 flat angles P-C4'-P energy: -109.125 tors. eta vs tors. theta energy: -194.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2160.131444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.131444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.131444 (E_RNA) where: Base-Base interactions energy: -1448.823 where: short stacking energy: -653.943 Base-Backbone interact. energy: 2.709 local terms energy: -714.017828 where: bonds (distance) C4'-P energy: -132.247 bonds (distance) P-C4' energy: -143.245 flat angles C4'-P-C4' energy: -170.533 flat angles P-C4'-P energy: -102.612 tors. eta vs tors. theta energy: -165.381 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: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1936.872022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.872022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.872022 (E_RNA) where: Base-Base interactions energy: -1271.788 where: short stacking energy: -596.313 Base-Backbone interact. energy: 2.728 local terms energy: -667.811980 where: bonds (distance) C4'-P energy: -126.723 bonds (distance) P-C4' energy: -158.153 flat angles C4'-P-C4' energy: -159.821 flat angles P-C4'-P energy: -86.331 tors. eta vs tors. theta energy: -136.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1839.678824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.678824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.678824 (E_RNA) where: Base-Base interactions energy: -1207.117 where: short stacking energy: -607.000 Base-Backbone interact. energy: -1.237 local terms energy: -631.325228 where: bonds (distance) C4'-P energy: -124.659 bonds (distance) P-C4' energy: -129.263 flat angles C4'-P-C4' energy: -154.976 flat angles P-C4'-P energy: -88.974 tors. eta vs tors. theta energy: -133.453 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: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1591.720703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.720703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.720703 (E_RNA) where: Base-Base interactions energy: -1041.346 where: short stacking energy: -433.556 Base-Backbone interact. energy: -3.041 local terms energy: -547.333912 where: bonds (distance) C4'-P energy: -130.850 bonds (distance) P-C4' energy: -135.509 flat angles C4'-P-C4' energy: -128.749 flat angles P-C4'-P energy: -81.717 tors. eta vs tors. theta energy: -70.508 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: 91 Temperature: 1.300000 Total energy: -1115.320435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.320435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.320435 (E_RNA) where: Base-Base interactions energy: -627.666 where: short stacking energy: -333.380 Base-Backbone interact. energy: 0.125 local terms energy: -487.779323 where: bonds (distance) C4'-P energy: -119.166 bonds (distance) P-C4' energy: -148.212 flat angles C4'-P-C4' energy: -134.950 flat angles P-C4'-P energy: -61.448 tors. eta vs tors. theta energy: -24.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1210.427158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.427158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.427158 (E_RNA) where: Base-Base interactions energy: -729.349 where: short stacking energy: -351.448 Base-Backbone interact. energy: -0.273 local terms energy: -480.804945 where: bonds (distance) C4'-P energy: -125.573 bonds (distance) P-C4' energy: -134.919 flat angles C4'-P-C4' energy: -114.031 flat angles P-C4'-P energy: -79.450 tors. eta vs tors. theta energy: -26.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -2753.890322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.890322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.890322 (E_RNA) where: Base-Base interactions energy: -1903.586 where: short stacking energy: -787.417 Base-Backbone interact. energy: -5.457 local terms energy: -844.847654 where: bonds (distance) C4'-P energy: -161.462 bonds (distance) P-C4' energy: -169.551 flat angles C4'-P-C4' energy: -186.713 flat angles P-C4'-P energy: -121.623 tors. eta vs tors. theta energy: -205.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -2680.718013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.718013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.718013 (E_RNA) where: Base-Base interactions energy: -1846.195 where: short stacking energy: -809.277 Base-Backbone interact. energy: 2.263 local terms energy: -836.786121 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -160.492 flat angles C4'-P-C4' energy: -186.812 flat angles P-C4'-P energy: -128.152 tors. eta vs tors. theta energy: -207.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2473.211878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.211878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.211878 (E_RNA) where: Base-Base interactions energy: -1691.759 where: short stacking energy: -758.775 Base-Backbone interact. energy: -4.442 local terms energy: -777.010796 where: bonds (distance) C4'-P energy: -141.991 bonds (distance) P-C4' energy: -147.498 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -119.276 tors. eta vs tors. theta energy: -200.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2443.010351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.010351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.010351 (E_RNA) where: Base-Base interactions energy: -1619.025 where: short stacking energy: -754.305 Base-Backbone interact. energy: -4.651 local terms energy: -819.334639 where: bonds (distance) C4'-P energy: -145.952 bonds (distance) P-C4' energy: -165.163 flat angles C4'-P-C4' energy: -193.738 flat angles P-C4'-P energy: -110.370 tors. eta vs tors. theta energy: -204.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2155.195908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.195908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.195908 (E_RNA) where: Base-Base interactions energy: -1431.745 where: short stacking energy: -668.291 Base-Backbone interact. energy: -0.243 local terms energy: -723.207338 where: bonds (distance) C4'-P energy: -134.705 bonds (distance) P-C4' energy: -150.203 flat angles C4'-P-C4' energy: -160.032 flat angles P-C4'-P energy: -104.082 tors. eta vs tors. theta energy: -174.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1946.705519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.705519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.705519 (E_RNA) where: Base-Base interactions energy: -1297.315 where: short stacking energy: -583.335 Base-Backbone interact. energy: 2.050 local terms energy: -651.440113 where: bonds (distance) C4'-P energy: -117.195 bonds (distance) P-C4' energy: -154.852 flat angles C4'-P-C4' energy: -143.668 flat angles P-C4'-P energy: -98.546 tors. eta vs tors. theta energy: -137.179 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: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1870.135776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.135776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.135776 (E_RNA) where: Base-Base interactions energy: -1220.216 where: short stacking energy: -581.606 Base-Backbone interact. energy: -1.436 local terms energy: -648.483985 where: bonds (distance) C4'-P energy: -137.250 bonds (distance) P-C4' energy: -146.312 flat angles C4'-P-C4' energy: -148.241 flat angles P-C4'-P energy: -83.314 tors. eta vs tors. theta energy: -133.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1643.941170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.941170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.941170 (E_RNA) where: Base-Base interactions energy: -1044.127 where: short stacking energy: -454.504 Base-Backbone interact. energy: 9.146 local terms energy: -608.959831 where: bonds (distance) C4'-P energy: -139.420 bonds (distance) P-C4' energy: -137.752 flat angles C4'-P-C4' energy: -145.774 flat angles P-C4'-P energy: -102.790 tors. eta vs tors. theta energy: -83.225 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: 92 Temperature: 1.300000 Total energy: -1168.419886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.419886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.419886 (E_RNA) where: Base-Base interactions energy: -649.422 where: short stacking energy: -314.513 Base-Backbone interact. energy: 10.600 local terms energy: -529.598231 where: bonds (distance) C4'-P energy: -129.263 bonds (distance) P-C4' energy: -155.016 flat angles C4'-P-C4' energy: -124.860 flat angles P-C4'-P energy: -79.643 tors. eta vs tors. theta energy: -40.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -996.119727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.119727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.119727 (E_RNA) where: Base-Base interactions energy: -509.277 where: short stacking energy: -277.528 Base-Backbone interact. energy: -1.683 local terms energy: -485.160190 where: bonds (distance) C4'-P energy: -136.281 bonds (distance) P-C4' energy: -134.161 flat angles C4'-P-C4' energy: -116.906 flat angles P-C4'-P energy: -78.929 tors. eta vs tors. theta energy: -18.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -2741.448160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.448160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.448160 (E_RNA) where: Base-Base interactions energy: -1891.839 where: short stacking energy: -768.320 Base-Backbone interact. energy: -3.939 local terms energy: -845.670056 where: bonds (distance) C4'-P energy: -154.747 bonds (distance) P-C4' energy: -179.422 flat angles C4'-P-C4' energy: -190.636 flat angles P-C4'-P energy: -117.694 tors. eta vs tors. theta energy: -203.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -2724.004992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.004992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.004992 (E_RNA) where: Base-Base interactions energy: -1862.393 where: short stacking energy: -795.145 Base-Backbone interact. energy: -5.980 local terms energy: -855.631886 where: bonds (distance) C4'-P energy: -165.594 bonds (distance) P-C4' energy: -169.166 flat angles C4'-P-C4' energy: -184.711 flat angles P-C4'-P energy: -124.394 tors. eta vs tors. theta energy: -211.767 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: 93 Temperature: 1.000000 Total energy: -2470.715945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.715945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.715945 (E_RNA) where: Base-Base interactions energy: -1686.006 where: short stacking energy: -762.238 Base-Backbone interact. energy: -3.739 local terms energy: -780.970304 where: bonds (distance) C4'-P energy: -145.185 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -171.791 flat angles P-C4'-P energy: -118.354 tors. eta vs tors. theta energy: -189.219 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: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2386.264720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.264720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.264720 (E_RNA) where: Base-Base interactions energy: -1620.813 where: short stacking energy: -771.823 Base-Backbone interact. energy: -0.936 local terms energy: -764.516635 where: bonds (distance) C4'-P energy: -139.729 bonds (distance) P-C4' energy: -151.435 flat angles C4'-P-C4' energy: -161.739 flat angles P-C4'-P energy: -106.324 tors. eta vs tors. theta energy: -205.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2202.119654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.119654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.119654 (E_RNA) where: Base-Base interactions energy: -1473.548 where: short stacking energy: -666.084 Base-Backbone interact. energy: -2.218 local terms energy: -726.352999 where: bonds (distance) C4'-P energy: -138.673 bonds (distance) P-C4' energy: -156.629 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -106.300 tors. eta vs tors. theta energy: -172.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1972.913982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.913982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.913982 (E_RNA) where: Base-Base interactions energy: -1299.100 where: short stacking energy: -619.996 Base-Backbone interact. energy: -2.835 local terms energy: -670.979782 where: bonds (distance) C4'-P energy: -129.977 bonds (distance) P-C4' energy: -145.584 flat angles C4'-P-C4' energy: -162.641 flat angles P-C4'-P energy: -90.699 tors. eta vs tors. theta energy: -142.078 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: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1746.934218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.934218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.934218 (E_RNA) where: Base-Base interactions energy: -1133.201 where: short stacking energy: -499.139 Base-Backbone interact. energy: 0.998 local terms energy: -614.731760 where: bonds (distance) C4'-P energy: -144.660 bonds (distance) P-C4' energy: -148.534 flat angles C4'-P-C4' energy: -135.558 flat angles P-C4'-P energy: -98.311 tors. eta vs tors. theta energy: -87.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1673.307484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.307484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.307484 (E_RNA) where: Base-Base interactions energy: -1091.281 where: short stacking energy: -507.961 Base-Backbone interact. energy: 0.394 local terms energy: -582.420063 where: bonds (distance) C4'-P energy: -122.435 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -123.864 flat angles P-C4'-P energy: -79.357 tors. eta vs tors. theta energy: -101.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1215.854880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.854880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.854880 (E_RNA) where: Base-Base interactions energy: -716.550 where: short stacking energy: -398.209 Base-Backbone interact. energy: 1.461 local terms energy: -500.765316 where: bonds (distance) C4'-P energy: -129.994 bonds (distance) P-C4' energy: -129.948 flat angles C4'-P-C4' energy: -127.230 flat angles P-C4'-P energy: -72.406 tors. eta vs tors. theta energy: -41.187 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: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1021.236106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.236106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.236106 (E_RNA) where: Base-Base interactions energy: -555.458 where: short stacking energy: -273.353 Base-Backbone interact. energy: 10.816 local terms energy: -476.594034 where: bonds (distance) C4'-P energy: -135.185 bonds (distance) P-C4' energy: -135.804 flat angles C4'-P-C4' energy: -136.270 flat angles P-C4'-P energy: -61.010 tors. eta vs tors. theta energy: -8.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -2780.613459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.613459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.613459 (E_RNA) where: Base-Base interactions energy: -1920.185 where: short stacking energy: -852.583 Base-Backbone interact. energy: 1.515 local terms energy: -861.943073 where: bonds (distance) C4'-P energy: -156.885 bonds (distance) P-C4' energy: -159.953 flat angles C4'-P-C4' energy: -197.374 flat angles P-C4'-P energy: -128.029 tors. eta vs tors. theta energy: -219.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2642.856753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.856753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.856753 (E_RNA) where: Base-Base interactions energy: -1819.903 where: short stacking energy: -763.046 Base-Backbone interact. energy: -8.090 local terms energy: -814.863687 where: bonds (distance) C4'-P energy: -165.011 bonds (distance) P-C4' energy: -162.016 flat angles C4'-P-C4' energy: -174.963 flat angles P-C4'-P energy: -121.255 tors. eta vs tors. theta energy: -191.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2479.569823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.569823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.569823 (E_RNA) where: Base-Base interactions energy: -1680.363 where: short stacking energy: -737.383 Base-Backbone interact. energy: -4.788 local terms energy: -794.419146 where: bonds (distance) C4'-P energy: -155.916 bonds (distance) P-C4' energy: -144.060 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -124.223 tors. eta vs tors. theta energy: -190.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2389.544316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.544316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.544316 (E_RNA) where: Base-Base interactions energy: -1595.631 where: short stacking energy: -691.799 Base-Backbone interact. energy: -6.294 local terms energy: -787.619351 where: bonds (distance) C4'-P energy: -148.931 bonds (distance) P-C4' energy: -160.579 flat angles C4'-P-C4' energy: -178.402 flat angles P-C4'-P energy: -109.350 tors. eta vs tors. theta energy: -190.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2294.404729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.404729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.404729 (E_RNA) where: Base-Base interactions energy: -1552.272 where: short stacking energy: -718.976 Base-Backbone interact. energy: -5.070 local terms energy: -737.063010 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -172.248 flat angles C4'-P-C4' energy: -153.555 flat angles P-C4'-P energy: -92.235 tors. eta vs tors. theta energy: -183.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1973.622236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.622236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.622236 (E_RNA) where: Base-Base interactions energy: -1267.758 where: short stacking energy: -597.916 Base-Backbone interact. energy: -1.470 local terms energy: -704.394297 where: bonds (distance) C4'-P energy: -144.031 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -159.327 flat angles P-C4'-P energy: -98.367 tors. eta vs tors. theta energy: -144.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1836.347131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.347131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.347131 (E_RNA) where: Base-Base interactions energy: -1198.986 where: short stacking energy: -539.248 Base-Backbone interact. energy: -2.567 local terms energy: -634.793375 where: bonds (distance) C4'-P energy: -127.762 bonds (distance) P-C4' energy: -135.944 flat angles C4'-P-C4' energy: -143.341 flat angles P-C4'-P energy: -107.706 tors. eta vs tors. theta energy: -120.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1613.284825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.284825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.284825 (E_RNA) where: Base-Base interactions energy: -1014.650 where: short stacking energy: -478.498 Base-Backbone interact. energy: -2.074 local terms energy: -596.560496 where: bonds (distance) C4'-P energy: -147.797 bonds (distance) P-C4' energy: -153.200 flat angles C4'-P-C4' energy: -144.826 flat angles P-C4'-P energy: -83.236 tors. eta vs tors. theta energy: -67.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1279.466210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.466210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.466210 (E_RNA) where: Base-Base interactions energy: -744.553 where: short stacking energy: -373.983 Base-Backbone interact. energy: -3.754 local terms energy: -531.159204 where: bonds (distance) C4'-P energy: -128.437 bonds (distance) P-C4' energy: -141.378 flat angles C4'-P-C4' energy: -137.626 flat angles P-C4'-P energy: -81.797 tors. eta vs tors. theta energy: -41.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -941.418988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.418988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.418988 (E_RNA) where: Base-Base interactions energy: -496.382 where: short stacking energy: -307.130 Base-Backbone interact. energy: 7.533 local terms energy: -452.569691 where: bonds (distance) C4'-P energy: -134.353 bonds (distance) P-C4' energy: -146.501 flat angles C4'-P-C4' energy: -106.067 flat angles P-C4'-P energy: -55.225 tors. eta vs tors. theta energy: -10.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -2794.870880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.870880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.870880 (E_RNA) where: Base-Base interactions energy: -1917.445 where: short stacking energy: -832.967 Base-Backbone interact. energy: -1.756 local terms energy: -875.669739 where: bonds (distance) C4'-P energy: -178.251 bonds (distance) P-C4' energy: -169.349 flat angles C4'-P-C4' energy: -191.042 flat angles P-C4'-P energy: -121.562 tors. eta vs tors. theta energy: -215.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2645.985747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.985747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.985747 (E_RNA) where: Base-Base interactions energy: -1826.911 where: short stacking energy: -740.328 Base-Backbone interact. energy: -4.710 local terms energy: -814.365071 where: bonds (distance) C4'-P energy: -153.804 bonds (distance) P-C4' energy: -158.734 flat angles C4'-P-C4' energy: -185.059 flat angles P-C4'-P energy: -116.186 tors. eta vs tors. theta energy: -200.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2453.494801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.494801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.494801 (E_RNA) where: Base-Base interactions energy: -1664.130 where: short stacking energy: -731.023 Base-Backbone interact. energy: -3.115 local terms energy: -786.249860 where: bonds (distance) C4'-P energy: -146.515 bonds (distance) P-C4' energy: -156.132 flat angles C4'-P-C4' energy: -174.680 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -193.325 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: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2422.758185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.758185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.758185 (E_RNA) where: Base-Base interactions energy: -1665.187 where: short stacking energy: -738.271 Base-Backbone interact. energy: -2.595 local terms energy: -754.975871 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -144.744 flat angles C4'-P-C4' energy: -177.139 flat angles P-C4'-P energy: -107.485 tors. eta vs tors. theta energy: -182.222 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: 5, replica: 7 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2291.578408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.578408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.578408 (E_RNA) where: Base-Base interactions energy: -1569.805 where: short stacking energy: -702.345 Base-Backbone interact. energy: 0.483 local terms energy: -722.256415 where: bonds (distance) C4'-P energy: -144.558 bonds (distance) P-C4' energy: -140.443 flat angles C4'-P-C4' energy: -167.503 flat angles P-C4'-P energy: -95.327 tors. eta vs tors. theta energy: -174.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1964.282399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.282399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.282399 (E_RNA) where: Base-Base interactions energy: -1284.303 where: short stacking energy: -634.916 Base-Backbone interact. energy: 5.647 local terms energy: -685.626000 where: bonds (distance) C4'-P energy: -125.244 bonds (distance) P-C4' energy: -141.177 flat angles C4'-P-C4' energy: -164.648 flat angles P-C4'-P energy: -91.606 tors. eta vs tors. theta energy: -162.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1811.770789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.770789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.770789 (E_RNA) where: Base-Base interactions energy: -1198.234 where: short stacking energy: -544.265 Base-Backbone interact. energy: -1.335 local terms energy: -612.202153 where: bonds (distance) C4'-P energy: -127.686 bonds (distance) P-C4' energy: -143.352 flat angles C4'-P-C4' energy: -150.858 flat angles P-C4'-P energy: -85.842 tors. eta vs tors. theta energy: -104.464 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: 2 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1631.904726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.904726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.904726 (E_RNA) where: Base-Base interactions energy: -1028.846 where: short stacking energy: -488.469 Base-Backbone interact. energy: 0.164 local terms energy: -603.222761 where: bonds (distance) C4'-P energy: -149.819 bonds (distance) P-C4' energy: -141.852 flat angles C4'-P-C4' energy: -135.134 flat angles P-C4'-P energy: -80.425 tors. eta vs tors. theta energy: -95.994 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: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1322.501929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.501929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.501929 (E_RNA) where: Base-Base interactions energy: -795.746 where: short stacking energy: -412.395 Base-Backbone interact. energy: -4.967 local terms energy: -521.789148 where: bonds (distance) C4'-P energy: -128.325 bonds (distance) P-C4' energy: -141.910 flat angles C4'-P-C4' energy: -134.268 flat angles P-C4'-P energy: -61.991 tors. eta vs tors. theta energy: -55.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -926.707921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.707921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.707921 (E_RNA) where: Base-Base interactions energy: -513.842 where: short stacking energy: -280.119 Base-Backbone interact. energy: 0.657 local terms energy: -413.522984 where: bonds (distance) C4'-P energy: -115.357 bonds (distance) P-C4' energy: -136.064 flat angles C4'-P-C4' energy: -95.021 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: 2.765 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: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -2730.649288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.649288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.649288 (E_RNA) where: Base-Base interactions energy: -1896.328 where: short stacking energy: -808.122 Base-Backbone interact. energy: -4.091 local terms energy: -830.230497 where: bonds (distance) C4'-P energy: -149.216 bonds (distance) P-C4' energy: -170.404 flat angles C4'-P-C4' energy: -188.776 flat angles P-C4'-P energy: -112.489 tors. eta vs tors. theta energy: -209.346 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: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2699.378746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.378746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.378746 (E_RNA) where: Base-Base interactions energy: -1866.631 where: short stacking energy: -836.423 Base-Backbone interact. energy: -0.541 local terms energy: -832.207228 where: bonds (distance) C4'-P energy: -166.915 bonds (distance) P-C4' energy: -158.403 flat angles C4'-P-C4' energy: -185.927 flat angles P-C4'-P energy: -111.633 tors. eta vs tors. theta energy: -209.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2448.322455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.322455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.322455 (E_RNA) where: Base-Base interactions energy: -1682.919 where: short stacking energy: -730.672 Base-Backbone interact. energy: -3.554 local terms energy: -761.849218 where: bonds (distance) C4'-P energy: -147.390 bonds (distance) P-C4' energy: -150.342 flat angles C4'-P-C4' energy: -173.747 flat angles P-C4'-P energy: -103.378 tors. eta vs tors. theta energy: -186.993 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: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2393.003406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.003406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.003406 (E_RNA) where: Base-Base interactions energy: -1595.543 where: short stacking energy: -740.420 Base-Backbone interact. energy: 0.478 local terms energy: -797.938694 where: bonds (distance) C4'-P energy: -156.771 bonds (distance) P-C4' energy: -148.448 flat angles C4'-P-C4' energy: -178.012 flat angles P-C4'-P energy: -111.434 tors. eta vs tors. theta energy: -203.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2278.251160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.251160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.251160 (E_RNA) where: Base-Base interactions energy: -1556.138 where: short stacking energy: -687.932 Base-Backbone interact. energy: -1.464 local terms energy: -720.649532 where: bonds (distance) C4'-P energy: -126.065 bonds (distance) P-C4' energy: -148.811 flat angles C4'-P-C4' energy: -165.308 flat angles P-C4'-P energy: -101.007 tors. eta vs tors. theta energy: -179.458 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: 3 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1946.389402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.389402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.389402 (E_RNA) where: Base-Base interactions energy: -1252.319 where: short stacking energy: -621.844 Base-Backbone interact. energy: 4.712 local terms energy: -698.782686 where: bonds (distance) C4'-P energy: -137.956 bonds (distance) P-C4' energy: -138.889 flat angles C4'-P-C4' energy: -168.885 flat angles P-C4'-P energy: -93.213 tors. eta vs tors. theta energy: -159.838 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: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1767.156516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.156516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.156516 (E_RNA) where: Base-Base interactions energy: -1145.217 where: short stacking energy: -521.489 Base-Backbone interact. energy: -1.852 local terms energy: -620.087672 where: bonds (distance) C4'-P energy: -138.455 bonds (distance) P-C4' energy: -139.767 flat angles C4'-P-C4' energy: -140.786 flat angles P-C4'-P energy: -91.380 tors. eta vs tors. theta energy: -109.699 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: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1648.565370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.565370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.565370 (E_RNA) where: Base-Base interactions energy: -1052.867 where: short stacking energy: -495.485 Base-Backbone interact. energy: -6.503 local terms energy: -589.195544 where: bonds (distance) C4'-P energy: -127.855 bonds (distance) P-C4' energy: -139.017 flat angles C4'-P-C4' energy: -133.513 flat angles P-C4'-P energy: -81.392 tors. eta vs tors. theta energy: -107.419 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: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1302.018137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.018137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.018137 (E_RNA) where: Base-Base interactions energy: -798.199 where: short stacking energy: -373.657 Base-Backbone interact. energy: 1.681 local terms energy: -505.500669 where: bonds (distance) C4'-P energy: -122.291 bonds (distance) P-C4' energy: -124.740 flat angles C4'-P-C4' energy: -132.189 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -52.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -933.503688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.503688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.503688 (E_RNA) where: Base-Base interactions energy: -511.465 where: short stacking energy: -269.709 Base-Backbone interact. energy: 2.283 local terms energy: -424.321000 where: bonds (distance) C4'-P energy: -134.466 bonds (distance) P-C4' energy: -112.420 flat angles C4'-P-C4' energy: -116.497 flat angles P-C4'-P energy: -58.976 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -2728.544001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.544001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.544001 (E_RNA) where: Base-Base interactions energy: -1857.750 where: short stacking energy: -765.696 Base-Backbone interact. energy: -6.631 local terms energy: -864.163196 where: bonds (distance) C4'-P energy: -173.626 bonds (distance) P-C4' energy: -180.658 flat angles C4'-P-C4' energy: -184.138 flat angles P-C4'-P energy: -128.207 tors. eta vs tors. theta energy: -197.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2685.855271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.855271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.855271 (E_RNA) where: Base-Base interactions energy: -1842.043 where: short stacking energy: -805.055 Base-Backbone interact. energy: -3.348 local terms energy: -840.464219 where: bonds (distance) C4'-P energy: -154.043 bonds (distance) P-C4' energy: -168.368 flat angles C4'-P-C4' energy: -181.524 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -215.180 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: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2429.203429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.203429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.203429 (E_RNA) where: Base-Base interactions energy: -1631.751 where: short stacking energy: -719.208 Base-Backbone interact. energy: -0.203 local terms energy: -797.250043 where: bonds (distance) C4'-P energy: -148.503 bonds (distance) P-C4' energy: -166.192 flat angles C4'-P-C4' energy: -169.762 flat angles P-C4'-P energy: -116.013 tors. eta vs tors. theta energy: -196.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2376.282379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.282379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.282379 (E_RNA) where: Base-Base interactions energy: -1591.528 where: short stacking energy: -734.681 Base-Backbone interact. energy: 0.366 local terms energy: -785.120937 where: bonds (distance) C4'-P energy: -146.116 bonds (distance) P-C4' energy: -167.115 flat angles C4'-P-C4' energy: -164.002 flat angles P-C4'-P energy: -120.875 tors. eta vs tors. theta energy: -187.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2226.397148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.397148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.397148 (E_RNA) where: Base-Base interactions energy: -1500.844 where: short stacking energy: -652.783 Base-Backbone interact. energy: -0.308 local terms energy: -725.245995 where: bonds (distance) C4'-P energy: -147.683 bonds (distance) P-C4' energy: -158.504 flat angles C4'-P-C4' energy: -153.904 flat angles P-C4'-P energy: -111.080 tors. eta vs tors. theta energy: -154.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1940.355517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.355517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.355517 (E_RNA) where: Base-Base interactions energy: -1229.832 where: short stacking energy: -581.709 Base-Backbone interact. energy: -0.766 local terms energy: -709.757090 where: bonds (distance) C4'-P energy: -145.234 bonds (distance) P-C4' energy: -154.576 flat angles C4'-P-C4' energy: -167.568 flat angles P-C4'-P energy: -103.823 tors. eta vs tors. theta energy: -138.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1743.246502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.246502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.246502 (E_RNA) where: Base-Base interactions energy: -1113.284 where: short stacking energy: -508.393 Base-Backbone interact. energy: 2.105 local terms energy: -632.067249 where: bonds (distance) C4'-P energy: -149.967 bonds (distance) P-C4' energy: -131.387 flat angles C4'-P-C4' energy: -138.594 flat angles P-C4'-P energy: -89.088 tors. eta vs tors. theta energy: -123.031 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: 2 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1615.817300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.817300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.817300 (E_RNA) where: Base-Base interactions energy: -999.830 where: short stacking energy: -482.230 Base-Backbone interact. energy: -3.064 local terms energy: -612.922734 where: bonds (distance) C4'-P energy: -135.485 bonds (distance) P-C4' energy: -123.735 flat angles C4'-P-C4' energy: -160.408 flat angles P-C4'-P energy: -97.485 tors. eta vs tors. theta energy: -95.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1329.709190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.709190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.709190 (E_RNA) where: Base-Base interactions energy: -814.836 where: short stacking energy: -384.607 Base-Backbone interact. energy: -1.433 local terms energy: -513.440335 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -131.365 flat angles C4'-P-C4' energy: -132.309 flat angles P-C4'-P energy: -72.316 tors. eta vs tors. theta energy: -54.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -933.327720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.327720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.327720 (E_RNA) where: Base-Base interactions energy: -492.541 where: short stacking energy: -277.940 Base-Backbone interact. energy: 2.522 local terms energy: -443.309087 where: bonds (distance) C4'-P energy: -130.754 bonds (distance) P-C4' energy: -129.044 flat angles C4'-P-C4' energy: -122.379 flat angles P-C4'-P energy: -55.547 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -2720.255463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.255463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.255463 (E_RNA) where: Base-Base interactions energy: -1893.603 where: short stacking energy: -792.734 Base-Backbone interact. energy: -1.993 local terms energy: -824.658554 where: bonds (distance) C4'-P energy: -145.729 bonds (distance) P-C4' energy: -168.592 flat angles C4'-P-C4' energy: -191.722 flat angles P-C4'-P energy: -122.289 tors. eta vs tors. theta energy: -196.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2665.809795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.809795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.809795 (E_RNA) where: Base-Base interactions energy: -1797.041 where: short stacking energy: -784.954 Base-Backbone interact. energy: -1.694 local terms energy: -867.074739 where: bonds (distance) C4'-P energy: -156.248 bonds (distance) P-C4' energy: -177.659 flat angles C4'-P-C4' energy: -199.723 flat angles P-C4'-P energy: -130.357 tors. eta vs tors. theta energy: -203.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2473.850293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.850293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.850293 (E_RNA) where: Base-Base interactions energy: -1654.012 where: short stacking energy: -718.181 Base-Backbone interact. energy: -0.859 local terms energy: -818.979239 where: bonds (distance) C4'-P energy: -159.666 bonds (distance) P-C4' energy: -143.628 flat angles C4'-P-C4' energy: -181.393 flat angles P-C4'-P energy: -123.518 tors. eta vs tors. theta energy: -210.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2388.867174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.867174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.867174 (E_RNA) where: Base-Base interactions energy: -1627.615 where: short stacking energy: -730.380 Base-Backbone interact. energy: 0.665 local terms energy: -761.917079 where: bonds (distance) C4'-P energy: -139.459 bonds (distance) P-C4' energy: -161.288 flat angles C4'-P-C4' energy: -178.953 flat angles P-C4'-P energy: -94.069 tors. eta vs tors. theta energy: -188.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2261.832435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2261.832435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2261.832435 (E_RNA) where: Base-Base interactions energy: -1521.302 where: short stacking energy: -664.174 Base-Backbone interact. energy: 3.580 local terms energy: -744.110350 where: bonds (distance) C4'-P energy: -132.109 bonds (distance) P-C4' energy: -151.744 flat angles C4'-P-C4' energy: -168.439 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -173.808 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: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1892.534174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.534174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.534174 (E_RNA) where: Base-Base interactions energy: -1224.138 where: short stacking energy: -600.823 Base-Backbone interact. energy: -0.886 local terms energy: -667.510855 where: bonds (distance) C4'-P energy: -131.119 bonds (distance) P-C4' energy: -139.034 flat angles C4'-P-C4' energy: -157.133 flat angles P-C4'-P energy: -102.723 tors. eta vs tors. theta energy: -137.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -1834.740103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.740103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.740103 (E_RNA) where: Base-Base interactions energy: -1192.733 where: short stacking energy: -539.314 Base-Backbone interact. energy: -4.478 local terms energy: -637.529172 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -154.109 flat angles P-C4'-P energy: -90.134 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: 8, replica: 2 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1609.233766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.233766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.233766 (E_RNA) where: Base-Base interactions energy: -1043.135 where: short stacking energy: -450.611 Base-Backbone interact. energy: 0.877 local terms energy: -566.976248 where: bonds (distance) C4'-P energy: -144.873 bonds (distance) P-C4' energy: -135.273 flat angles C4'-P-C4' energy: -136.230 flat angles P-C4'-P energy: -80.626 tors. eta vs tors. theta energy: -69.973 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: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1460.334925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.334925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.334925 (E_RNA) where: Base-Base interactions energy: -865.548 where: short stacking energy: -431.659 Base-Backbone interact. energy: -1.254 local terms energy: -593.532957 where: bonds (distance) C4'-P energy: -124.767 bonds (distance) P-C4' energy: -149.237 flat angles C4'-P-C4' energy: -153.526 flat angles P-C4'-P energy: -87.756 tors. eta vs tors. theta energy: -78.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -881.608879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.608879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.608879 (E_RNA) where: Base-Base interactions energy: -476.115 where: short stacking energy: -269.774 Base-Backbone interact. energy: -0.628 local terms energy: -404.866365 where: bonds (distance) C4'-P energy: -123.660 bonds (distance) P-C4' energy: -123.950 flat angles C4'-P-C4' energy: -116.659 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: 12.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -2727.798206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.798206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.798206 (E_RNA) where: Base-Base interactions energy: -1879.211 where: short stacking energy: -799.855 Base-Backbone interact. energy: -0.356 local terms energy: -848.230696 where: bonds (distance) C4'-P energy: -150.380 bonds (distance) P-C4' energy: -177.156 flat angles C4'-P-C4' energy: -192.076 flat angles P-C4'-P energy: -125.716 tors. eta vs tors. theta energy: -202.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2617.281736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.281736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.281736 (E_RNA) where: Base-Base interactions energy: -1788.956 where: short stacking energy: -785.700 Base-Backbone interact. energy: -4.770 local terms energy: -823.555900 where: bonds (distance) C4'-P energy: -154.599 bonds (distance) P-C4' energy: -172.897 flat angles C4'-P-C4' energy: -188.520 flat angles P-C4'-P energy: -112.967 tors. eta vs tors. theta energy: -194.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2443.885410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.885410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.885410 (E_RNA) where: Base-Base interactions energy: -1662.812 where: short stacking energy: -687.224 Base-Backbone interact. energy: -3.861 local terms energy: -777.212684 where: bonds (distance) C4'-P energy: -160.002 bonds (distance) P-C4' energy: -155.297 flat angles C4'-P-C4' energy: -173.242 flat angles P-C4'-P energy: -112.036 tors. eta vs tors. theta energy: -176.636 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: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2432.527113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.527113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.527113 (E_RNA) where: Base-Base interactions energy: -1604.945 where: short stacking energy: -789.277 Base-Backbone interact. energy: 0.525 local terms energy: -828.106974 where: bonds (distance) C4'-P energy: -156.591 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -180.236 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -217.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2222.374027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.374027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.374027 (E_RNA) where: Base-Base interactions energy: -1530.504 where: short stacking energy: -695.062 Base-Backbone interact. energy: -1.976 local terms energy: -689.894583 where: bonds (distance) C4'-P energy: -136.284 bonds (distance) P-C4' energy: -145.649 flat angles C4'-P-C4' energy: -139.597 flat angles P-C4'-P energy: -97.293 tors. eta vs tors. theta energy: -171.072 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: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2002.210232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.210232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.210232 (E_RNA) where: Base-Base interactions energy: -1311.232 where: short stacking energy: -620.133 Base-Backbone interact. energy: -0.383 local terms energy: -690.595536 where: bonds (distance) C4'-P energy: -114.963 bonds (distance) P-C4' energy: -158.144 flat angles C4'-P-C4' energy: -165.194 flat angles P-C4'-P energy: -105.099 tors. eta vs tors. theta energy: -147.195 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: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1805.221397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.221397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.221397 (E_RNA) where: Base-Base interactions energy: -1185.708 where: short stacking energy: -520.937 Base-Backbone interact. energy: 3.365 local terms energy: -622.878111 where: bonds (distance) C4'-P energy: -124.449 bonds (distance) P-C4' energy: -157.243 flat angles C4'-P-C4' energy: -141.167 flat angles P-C4'-P energy: -94.516 tors. eta vs tors. theta energy: -105.503 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: 8, replica: 2 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1632.354475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.354475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.354475 (E_RNA) where: Base-Base interactions energy: -1056.105 where: short stacking energy: -478.615 Base-Backbone interact. energy: -3.104 local terms energy: -573.145296 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -129.795 flat angles C4'-P-C4' energy: -135.063 flat angles P-C4'-P energy: -74.132 tors. eta vs tors. theta energy: -110.673 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: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1432.721937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.721937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.721937 (E_RNA) where: Base-Base interactions energy: -900.269 where: short stacking energy: -403.424 Base-Backbone interact. energy: -2.693 local terms energy: -529.759209 where: bonds (distance) C4'-P energy: -119.086 bonds (distance) P-C4' energy: -125.645 flat angles C4'-P-C4' energy: -130.444 flat angles P-C4'-P energy: -96.723 tors. eta vs tors. theta energy: -57.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -850.946252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.946252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.946252 (E_RNA) where: Base-Base interactions energy: -419.000 where: short stacking energy: -243.340 Base-Backbone interact. energy: -1.624 local terms energy: -430.322564 where: bonds (distance) C4'-P energy: -123.869 bonds (distance) P-C4' energy: -125.251 flat angles C4'-P-C4' energy: -126.306 flat angles P-C4'-P energy: -73.113 tors. eta vs tors. theta energy: 18.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -2746.564520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.564520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.564520 (E_RNA) where: Base-Base interactions energy: -1919.062 where: short stacking energy: -799.352 Base-Backbone interact. energy: -0.848 local terms energy: -826.655223 where: bonds (distance) C4'-P energy: -159.242 bonds (distance) P-C4' energy: -168.182 flat angles C4'-P-C4' energy: -191.697 flat angles P-C4'-P energy: -105.067 tors. eta vs tors. theta energy: -202.467 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: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2653.436199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.436199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.436199 (E_RNA) where: Base-Base interactions energy: -1817.374 where: short stacking energy: -817.579 Base-Backbone interact. energy: -2.364 local terms energy: -833.698856 where: bonds (distance) C4'-P energy: -167.775 bonds (distance) P-C4' energy: -147.900 flat angles C4'-P-C4' energy: -180.239 flat angles P-C4'-P energy: -123.152 tors. eta vs tors. theta energy: -214.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2569.767712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.767712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.767712 (E_RNA) where: Base-Base interactions energy: -1744.991 where: short stacking energy: -806.535 Base-Backbone interact. energy: 0.322 local terms energy: -825.098289 where: bonds (distance) C4'-P energy: -145.362 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -187.130 flat angles P-C4'-P energy: -115.890 tors. eta vs tors. theta energy: -219.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2387.971186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.971186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.971186 (E_RNA) where: Base-Base interactions energy: -1629.026 where: short stacking energy: -696.521 Base-Backbone interact. energy: -2.476 local terms energy: -756.469126 where: bonds (distance) C4'-P energy: -153.790 bonds (distance) P-C4' energy: -150.730 flat angles C4'-P-C4' energy: -157.775 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -189.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2254.098494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.098494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.098494 (E_RNA) where: Base-Base interactions energy: -1518.022 where: short stacking energy: -690.667 Base-Backbone interact. energy: -0.894 local terms energy: -735.182411 where: bonds (distance) C4'-P energy: -119.356 bonds (distance) P-C4' energy: -150.373 flat angles C4'-P-C4' energy: -170.152 flat angles P-C4'-P energy: -127.646 tors. eta vs tors. theta energy: -167.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1991.128050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.128050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.128050 (E_RNA) where: Base-Base interactions energy: -1297.573 where: short stacking energy: -619.717 Base-Backbone interact. energy: -0.814 local terms energy: -692.740599 where: bonds (distance) C4'-P energy: -135.411 bonds (distance) P-C4' energy: -151.529 flat angles C4'-P-C4' energy: -162.642 flat angles P-C4'-P energy: -106.745 tors. eta vs tors. theta energy: -136.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1820.604108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.604108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.604108 (E_RNA) where: Base-Base interactions energy: -1184.094 where: short stacking energy: -559.765 Base-Backbone interact. energy: -3.350 local terms energy: -633.159576 where: bonds (distance) C4'-P energy: -122.759 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -153.924 flat angles P-C4'-P energy: -84.044 tors. eta vs tors. theta energy: -126.958 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: 2 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1606.764432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.764432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.764432 (E_RNA) where: Base-Base interactions energy: -1002.184 where: short stacking energy: -471.948 Base-Backbone interact. energy: 4.405 local terms energy: -608.985828 where: bonds (distance) C4'-P energy: -118.641 bonds (distance) P-C4' energy: -147.335 flat angles C4'-P-C4' energy: -150.962 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -102.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1421.776605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.776605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.776605 (E_RNA) where: Base-Base interactions energy: -912.075 where: short stacking energy: -385.926 Base-Backbone interact. energy: 2.973 local terms energy: -512.674654 where: bonds (distance) C4'-P energy: -135.787 bonds (distance) P-C4' energy: -110.086 flat angles C4'-P-C4' energy: -131.360 flat angles P-C4'-P energy: -85.895 tors. eta vs tors. theta energy: -49.547 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: 100 Temperature: 1.350000 Total energy: -741.367629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.367629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.367629 (E_RNA) where: Base-Base interactions energy: -348.378 where: short stacking energy: -235.482 Base-Backbone interact. energy: 1.257 local terms energy: -394.246190 where: bonds (distance) C4'-P energy: -112.305 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -116.557 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: 4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -2743.965378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.965378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.965378 (E_RNA) where: Base-Base interactions energy: -1909.010 where: short stacking energy: -776.492 Base-Backbone interact. energy: -3.502 local terms energy: -831.453358 where: bonds (distance) C4'-P energy: -161.839 bonds (distance) P-C4' energy: -163.655 flat angles C4'-P-C4' energy: -192.248 flat angles P-C4'-P energy: -120.787 tors. eta vs tors. theta energy: -192.924 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: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2604.099436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.099436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.099436 (E_RNA) where: Base-Base interactions energy: -1806.067 where: short stacking energy: -765.896 Base-Backbone interact. energy: -2.820 local terms energy: -795.212604 where: bonds (distance) C4'-P energy: -155.101 bonds (distance) P-C4' energy: -155.152 flat angles C4'-P-C4' energy: -180.077 flat angles P-C4'-P energy: -118.525 tors. eta vs tors. theta energy: -186.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2608.681017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.681017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.681017 (E_RNA) where: Base-Base interactions energy: -1790.652 where: short stacking energy: -819.968 Base-Backbone interact. energy: -2.208 local terms energy: -815.820872 where: bonds (distance) C4'-P energy: -135.622 bonds (distance) P-C4' energy: -160.286 flat angles C4'-P-C4' energy: -189.355 flat angles P-C4'-P energy: -105.239 tors. eta vs tors. theta energy: -225.319 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: 6 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2339.724909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.724909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.724909 (E_RNA) where: Base-Base interactions energy: -1619.260 where: short stacking energy: -737.349 Base-Backbone interact. energy: -1.779 local terms energy: -718.686430 where: bonds (distance) C4'-P energy: -122.375 bonds (distance) P-C4' energy: -142.935 flat angles C4'-P-C4' energy: -168.890 flat angles P-C4'-P energy: -101.542 tors. eta vs tors. theta energy: -182.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2286.767901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.767901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.767901 (E_RNA) where: Base-Base interactions energy: -1552.345 where: short stacking energy: -681.103 Base-Backbone interact. energy: -1.192 local terms energy: -733.230952 where: bonds (distance) C4'-P energy: -157.191 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -157.402 flat angles P-C4'-P energy: -108.981 tors. eta vs tors. theta energy: -164.176 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: 6, replica: 3 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1985.397711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.397711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.397711 (E_RNA) where: Base-Base interactions energy: -1318.127 where: short stacking energy: -603.654 Base-Backbone interact. energy: -2.236 local terms energy: -665.035219 where: bonds (distance) C4'-P energy: -120.916 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -167.644 flat angles P-C4'-P energy: -79.386 tors. eta vs tors. theta energy: -153.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1839.777485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.777485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.777485 (E_RNA) where: Base-Base interactions energy: -1170.908 where: short stacking energy: -535.626 Base-Backbone interact. energy: -2.948 local terms energy: -665.921015 where: bonds (distance) C4'-P energy: -133.920 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -152.825 flat angles P-C4'-P energy: -104.346 tors. eta vs tors. theta energy: -125.928 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: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1620.701778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.701778 (E_RNA) where: Base-Base interactions energy: -1045.213 where: short stacking energy: -501.279 Base-Backbone interact. energy: -3.457 local terms energy: -572.030934 where: bonds (distance) C4'-P energy: -127.846 bonds (distance) P-C4' energy: -157.756 flat angles C4'-P-C4' energy: -132.728 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -87.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1472.135040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.135040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.135040 (E_RNA) where: Base-Base interactions energy: -911.994 where: short stacking energy: -417.587 Base-Backbone interact. energy: -1.273 local terms energy: -558.868096 where: bonds (distance) C4'-P energy: -125.218 bonds (distance) P-C4' energy: -155.586 flat angles C4'-P-C4' energy: -128.009 flat angles P-C4'-P energy: -76.453 tors. eta vs tors. theta energy: -73.602 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: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -725.501552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.501552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.501552 (E_RNA) where: Base-Base interactions energy: -314.499 where: short stacking energy: -208.053 Base-Backbone interact. energy: -1.707 local terms energy: -409.295785 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -127.234 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -71.400 tors. eta vs tors. theta energy: 22.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -2711.618971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.618971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.618971 (E_RNA) where: Base-Base interactions energy: -1876.578 where: short stacking energy: -785.604 Base-Backbone interact. energy: -1.151 local terms energy: -833.890142 where: bonds (distance) C4'-P energy: -147.582 bonds (distance) P-C4' energy: -176.636 flat angles C4'-P-C4' energy: -178.570 flat angles P-C4'-P energy: -134.753 tors. eta vs tors. theta energy: -196.348 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: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2640.145181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.145181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.145181 (E_RNA) where: Base-Base interactions energy: -1782.125 where: short stacking energy: -767.840 Base-Backbone interact. energy: -5.288 local terms energy: -852.732659 where: bonds (distance) C4'-P energy: -160.434 bonds (distance) P-C4' energy: -177.974 flat angles C4'-P-C4' energy: -177.366 flat angles P-C4'-P energy: -129.807 tors. eta vs tors. theta energy: -207.153 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: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2510.512756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.512756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.512756 (E_RNA) where: Base-Base interactions energy: -1685.630 where: short stacking energy: -769.774 Base-Backbone interact. energy: 0.409 local terms energy: -825.291305 where: bonds (distance) C4'-P energy: -165.393 bonds (distance) P-C4' energy: -171.571 flat angles C4'-P-C4' energy: -174.612 flat angles P-C4'-P energy: -103.895 tors. eta vs tors. theta energy: -209.820 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: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2385.539958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.539958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.539958 (E_RNA) where: Base-Base interactions energy: -1615.953 where: short stacking energy: -707.436 Base-Backbone interact. energy: -3.461 local terms energy: -766.126838 where: bonds (distance) C4'-P energy: -148.862 bonds (distance) P-C4' energy: -162.504 flat angles C4'-P-C4' energy: -170.887 flat angles P-C4'-P energy: -111.769 tors. eta vs tors. theta energy: -172.106 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: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2338.731220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.731220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.731220 (E_RNA) where: Base-Base interactions energy: -1605.589 where: short stacking energy: -709.155 Base-Backbone interact. energy: 7.730 local terms energy: -740.872028 where: bonds (distance) C4'-P energy: -139.654 bonds (distance) P-C4' energy: -146.597 flat angles C4'-P-C4' energy: -152.332 flat angles P-C4'-P energy: -117.448 tors. eta vs tors. theta energy: -184.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1955.809417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.809417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.809417 (E_RNA) where: Base-Base interactions energy: -1285.211 where: short stacking energy: -590.388 Base-Backbone interact. energy: -2.999 local terms energy: -667.599350 where: bonds (distance) C4'-P energy: -140.848 bonds (distance) P-C4' energy: -136.794 flat angles C4'-P-C4' energy: -160.632 flat angles P-C4'-P energy: -88.291 tors. eta vs tors. theta energy: -141.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1855.114008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.114008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.114008 (E_RNA) where: Base-Base interactions energy: -1182.524 where: short stacking energy: -524.738 Base-Backbone interact. energy: 0.435 local terms energy: -673.024345 where: bonds (distance) C4'-P energy: -141.032 bonds (distance) P-C4' energy: -154.283 flat angles C4'-P-C4' energy: -165.254 flat angles P-C4'-P energy: -93.210 tors. eta vs tors. theta energy: -119.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1626.916424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.916424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.916424 (E_RNA) where: Base-Base interactions energy: -1043.201 where: short stacking energy: -482.344 Base-Backbone interact. energy: 0.544 local terms energy: -584.259368 where: bonds (distance) C4'-P energy: -136.668 bonds (distance) P-C4' energy: -145.670 flat angles C4'-P-C4' energy: -138.196 flat angles P-C4'-P energy: -72.447 tors. eta vs tors. theta energy: -91.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1372.431006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.431006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.431006 (E_RNA) where: Base-Base interactions energy: -863.030 where: short stacking energy: -413.700 Base-Backbone interact. energy: -0.271 local terms energy: -509.130411 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -140.628 flat angles C4'-P-C4' energy: -122.198 flat angles P-C4'-P energy: -59.749 tors. eta vs tors. theta energy: -47.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -857.207974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.207974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.207974 (E_RNA) where: Base-Base interactions energy: -423.592 where: short stacking energy: -258.543 Base-Backbone interact. energy: 2.137 local terms energy: -435.752979 where: bonds (distance) C4'-P energy: -125.158 bonds (distance) P-C4' energy: -130.749 flat angles C4'-P-C4' energy: -112.770 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: -0.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -2762.861585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.861585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.861585 (E_RNA) where: Base-Base interactions energy: -1927.977 where: short stacking energy: -792.041 Base-Backbone interact. energy: -2.464 local terms energy: -832.420814 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -175.553 flat angles C4'-P-C4' energy: -181.363 flat angles P-C4'-P energy: -125.086 tors. eta vs tors. theta energy: -193.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2657.210638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.210638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.210638 (E_RNA) where: Base-Base interactions energy: -1810.508 where: short stacking energy: -805.388 Base-Backbone interact. energy: 5.026 local terms energy: -851.728841 where: bonds (distance) C4'-P energy: -163.343 bonds (distance) P-C4' energy: -173.754 flat angles C4'-P-C4' energy: -188.657 flat angles P-C4'-P energy: -112.104 tors. eta vs tors. theta energy: -213.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2484.374428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.374428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.374428 (E_RNA) where: Base-Base interactions energy: -1662.995 where: short stacking energy: -752.428 Base-Backbone interact. energy: 1.534 local terms energy: -822.913744 where: bonds (distance) C4'-P energy: -151.445 bonds (distance) P-C4' energy: -156.127 flat angles C4'-P-C4' energy: -189.112 flat angles P-C4'-P energy: -123.313 tors. eta vs tors. theta energy: -202.917 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: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2368.047271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.047271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.047271 (E_RNA) where: Base-Base interactions energy: -1588.736 where: short stacking energy: -691.041 Base-Backbone interact. energy: -2.302 local terms energy: -777.010159 where: bonds (distance) C4'-P energy: -150.738 bonds (distance) P-C4' energy: -157.533 flat angles C4'-P-C4' energy: -178.024 flat angles P-C4'-P energy: -119.162 tors. eta vs tors. theta energy: -171.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2305.148294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.148294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.148294 (E_RNA) where: Base-Base interactions energy: -1566.815 where: short stacking energy: -686.741 Base-Backbone interact. energy: 0.213 local terms energy: -738.546929 where: bonds (distance) C4'-P energy: -141.007 bonds (distance) P-C4' energy: -151.473 flat angles C4'-P-C4' energy: -175.265 flat angles P-C4'-P energy: -97.655 tors. eta vs tors. theta energy: -173.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1939.824208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.824208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.824208 (E_RNA) where: Base-Base interactions energy: -1248.827 where: short stacking energy: -595.968 Base-Backbone interact. energy: -0.828 local terms energy: -690.169477 where: bonds (distance) C4'-P energy: -139.356 bonds (distance) P-C4' energy: -143.402 flat angles C4'-P-C4' energy: -159.140 flat angles P-C4'-P energy: -96.708 tors. eta vs tors. theta energy: -151.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1816.057392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.057392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.057392 (E_RNA) where: Base-Base interactions energy: -1168.905 where: short stacking energy: -545.638 Base-Backbone interact. energy: 2.647 local terms energy: -649.799936 where: bonds (distance) C4'-P energy: -118.626 bonds (distance) P-C4' energy: -170.459 flat angles C4'-P-C4' energy: -124.165 flat angles P-C4'-P energy: -111.763 tors. eta vs tors. theta energy: -124.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1566.696279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.696279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.696279 (E_RNA) where: Base-Base interactions energy: -976.760 where: short stacking energy: -453.259 Base-Backbone interact. energy: -0.406 local terms energy: -589.529792 where: bonds (distance) C4'-P energy: -137.480 bonds (distance) P-C4' energy: -134.490 flat angles C4'-P-C4' energy: -152.077 flat angles P-C4'-P energy: -89.526 tors. eta vs tors. theta energy: -75.957 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: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1331.646661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.646661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.646661 (E_RNA) where: Base-Base interactions energy: -819.069 where: short stacking energy: -383.266 Base-Backbone interact. energy: -2.572 local terms energy: -510.005336 where: bonds (distance) C4'-P energy: -128.120 bonds (distance) P-C4' energy: -117.078 flat angles C4'-P-C4' energy: -148.647 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -45.064 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: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -863.129807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.129807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.129807 (E_RNA) where: Base-Base interactions energy: -426.809 where: short stacking energy: -230.315 Base-Backbone interact. energy: -1.534 local terms energy: -434.786840 where: bonds (distance) C4'-P energy: -147.523 bonds (distance) P-C4' energy: -119.169 flat angles C4'-P-C4' energy: -103.200 flat angles P-C4'-P energy: -73.285 tors. eta vs tors. theta energy: 8.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -2772.748731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.748731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.748731 (E_RNA) where: Base-Base interactions energy: -1941.415 where: short stacking energy: -773.009 Base-Backbone interact. energy: -1.725 local terms energy: -829.608880 where: bonds (distance) C4'-P energy: -172.596 bonds (distance) P-C4' energy: -176.319 flat angles C4'-P-C4' energy: -180.365 flat angles P-C4'-P energy: -111.363 tors. eta vs tors. theta energy: -188.966 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: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2695.560086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.560086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.560086 (E_RNA) where: Base-Base interactions energy: -1847.906 where: short stacking energy: -804.082 Base-Backbone interact. energy: -1.708 local terms energy: -845.946027 where: bonds (distance) C4'-P energy: -157.784 bonds (distance) P-C4' energy: -162.493 flat angles C4'-P-C4' energy: -172.903 flat angles P-C4'-P energy: -124.157 tors. eta vs tors. theta energy: -228.609 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: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2548.449176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.449176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.449176 (E_RNA) where: Base-Base interactions energy: -1735.794 where: short stacking energy: -798.826 Base-Backbone interact. energy: -0.175 local terms energy: -812.480436 where: bonds (distance) C4'-P energy: -161.099 bonds (distance) P-C4' energy: -155.987 flat angles C4'-P-C4' energy: -162.873 flat angles P-C4'-P energy: -103.681 tors. eta vs tors. theta energy: -228.841 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: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2376.912167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.912167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.912167 (E_RNA) where: Base-Base interactions energy: -1612.917 where: short stacking energy: -690.041 Base-Backbone interact. energy: 1.272 local terms energy: -765.267272 where: bonds (distance) C4'-P energy: -139.951 bonds (distance) P-C4' energy: -168.447 flat angles C4'-P-C4' energy: -158.712 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -176.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2378.195656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.195656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.195656 (E_RNA) where: Base-Base interactions energy: -1635.077 where: short stacking energy: -691.650 Base-Backbone interact. energy: -3.461 local terms energy: -739.657519 where: bonds (distance) C4'-P energy: -134.392 bonds (distance) P-C4' energy: -151.669 flat angles C4'-P-C4' energy: -166.222 flat angles P-C4'-P energy: -110.009 tors. eta vs tors. theta energy: -177.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1924.601135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.601135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.601135 (E_RNA) where: Base-Base interactions energy: -1260.915 where: short stacking energy: -557.975 Base-Backbone interact. energy: -1.155 local terms energy: -662.531201 where: bonds (distance) C4'-P energy: -136.722 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -145.618 flat angles P-C4'-P energy: -97.017 tors. eta vs tors. theta energy: -131.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1868.853485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.853485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.853485 (E_RNA) where: Base-Base interactions energy: -1190.163 where: short stacking energy: -563.797 Base-Backbone interact. energy: 3.120 local terms energy: -681.811266 where: bonds (distance) C4'-P energy: -133.700 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -138.557 flat angles P-C4'-P energy: -118.759 tors. eta vs tors. theta energy: -140.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1540.813584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.813584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.813584 (E_RNA) where: Base-Base interactions energy: -1017.784 where: short stacking energy: -461.333 Base-Backbone interact. energy: -3.799 local terms energy: -519.229897 where: bonds (distance) C4'-P energy: -130.522 bonds (distance) P-C4' energy: -131.456 flat angles C4'-P-C4' energy: -114.709 flat angles P-C4'-P energy: -60.292 tors. eta vs tors. theta energy: -82.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1314.594541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.594541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.594541 (E_RNA) where: Base-Base interactions energy: -736.289 where: short stacking energy: -372.296 Base-Backbone interact. energy: -2.519 local terms energy: -575.786337 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -152.452 flat angles C4'-P-C4' energy: -141.494 flat angles P-C4'-P energy: -87.041 tors. eta vs tors. theta energy: -62.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -853.777338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.777338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.777338 (E_RNA) where: Base-Base interactions energy: -454.266 where: short stacking energy: -258.857 Base-Backbone interact. energy: -3.776 local terms energy: -395.734853 where: bonds (distance) C4'-P energy: -99.800 bonds (distance) P-C4' energy: -136.817 flat angles C4'-P-C4' energy: -109.136 flat angles P-C4'-P energy: -54.315 tors. eta vs tors. theta energy: 4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -2757.418162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.418162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.418162 (E_RNA) where: Base-Base interactions energy: -1941.782 where: short stacking energy: -782.010 Base-Backbone interact. energy: 4.720 local terms energy: -820.355982 where: bonds (distance) C4'-P energy: -147.578 bonds (distance) P-C4' energy: -174.502 flat angles C4'-P-C4' energy: -183.543 flat angles P-C4'-P energy: -128.191 tors. eta vs tors. theta energy: -186.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2690.752906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.752906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.752906 (E_RNA) where: Base-Base interactions energy: -1851.815 where: short stacking energy: -819.041 Base-Backbone interact. energy: -0.676 local terms energy: -838.261769 where: bonds (distance) C4'-P energy: -154.298 bonds (distance) P-C4' energy: -173.706 flat angles C4'-P-C4' energy: -170.058 flat angles P-C4'-P energy: -123.026 tors. eta vs tors. theta energy: -217.174 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: 1 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2548.598215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.598215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.598215 (E_RNA) where: Base-Base interactions energy: -1716.556 where: short stacking energy: -791.636 Base-Backbone interact. energy: 2.741 local terms energy: -834.783752 where: bonds (distance) C4'-P energy: -150.081 bonds (distance) P-C4' energy: -169.472 flat angles C4'-P-C4' energy: -168.252 flat angles P-C4'-P energy: -129.969 tors. eta vs tors. theta energy: -217.009 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: 4, replica: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2376.201922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.201922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.201922 (E_RNA) where: Base-Base interactions energy: -1610.940 where: short stacking energy: -664.982 Base-Backbone interact. energy: -0.223 local terms energy: -765.038386 where: bonds (distance) C4'-P energy: -150.251 bonds (distance) P-C4' energy: -158.753 flat angles C4'-P-C4' energy: -176.830 flat angles P-C4'-P energy: -118.209 tors. eta vs tors. theta energy: -160.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2371.821530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.821530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.821530 (E_RNA) where: Base-Base interactions energy: -1651.137 where: short stacking energy: -709.922 Base-Backbone interact. energy: -1.092 local terms energy: -719.593165 where: bonds (distance) C4'-P energy: -146.893 bonds (distance) P-C4' energy: -123.391 flat angles C4'-P-C4' energy: -172.777 flat angles P-C4'-P energy: -97.020 tors. eta vs tors. theta energy: -179.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1965.277870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.277870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.277870 (E_RNA) where: Base-Base interactions energy: -1300.300 where: short stacking energy: -587.252 Base-Backbone interact. energy: 3.585 local terms energy: -668.562883 where: bonds (distance) C4'-P energy: -137.046 bonds (distance) P-C4' energy: -148.164 flat angles C4'-P-C4' energy: -160.626 flat angles P-C4'-P energy: -101.491 tors. eta vs tors. theta energy: -121.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1924.276282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.276282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.276282 (E_RNA) where: Base-Base interactions energy: -1227.234 where: short stacking energy: -571.218 Base-Backbone interact. energy: -2.354 local terms energy: -694.689023 where: bonds (distance) C4'-P energy: -142.297 bonds (distance) P-C4' energy: -157.509 flat angles C4'-P-C4' energy: -161.727 flat angles P-C4'-P energy: -89.718 tors. eta vs tors. theta energy: -143.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1557.006087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.006087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.006087 (E_RNA) where: Base-Base interactions energy: -965.086 where: short stacking energy: -445.868 Base-Backbone interact. energy: 0.965 local terms energy: -592.884560 where: bonds (distance) C4'-P energy: -126.061 bonds (distance) P-C4' energy: -147.776 flat angles C4'-P-C4' energy: -140.415 flat angles P-C4'-P energy: -92.263 tors. eta vs tors. theta energy: -86.369 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: 9, replica: 10 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1311.153495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.153495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.153495 (E_RNA) where: Base-Base interactions energy: -786.091 where: short stacking energy: -378.198 Base-Backbone interact. energy: 5.012 local terms energy: -530.074581 where: bonds (distance) C4'-P energy: -125.975 bonds (distance) P-C4' energy: -155.679 flat angles C4'-P-C4' energy: -117.944 flat angles P-C4'-P energy: -79.505 tors. eta vs tors. theta energy: -50.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -862.546297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.546297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.546297 (E_RNA) where: Base-Base interactions energy: -439.533 where: short stacking energy: -234.816 Base-Backbone interact. energy: -4.392 local terms energy: -418.621514 where: bonds (distance) C4'-P energy: -114.148 bonds (distance) P-C4' energy: -143.704 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -61.884 tors. eta vs tors. theta energy: 25.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -2751.601991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.601991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.601991 (E_RNA) where: Base-Base interactions energy: -1892.739 where: short stacking energy: -789.072 Base-Backbone interact. energy: -5.372 local terms energy: -853.490881 where: bonds (distance) C4'-P energy: -160.376 bonds (distance) P-C4' energy: -176.364 flat angles C4'-P-C4' energy: -197.511 flat angles P-C4'-P energy: -124.525 tors. eta vs tors. theta energy: -194.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2655.955037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.955037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.955037 (E_RNA) where: Base-Base interactions energy: -1808.497 where: short stacking energy: -802.383 Base-Backbone interact. energy: -1.793 local terms energy: -845.665021 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -155.218 flat angles C4'-P-C4' energy: -190.524 flat angles P-C4'-P energy: -115.948 tors. eta vs tors. theta energy: -222.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2559.916999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.916999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.916999 (E_RNA) where: Base-Base interactions energy: -1743.884 where: short stacking energy: -773.395 Base-Backbone interact. energy: -1.741 local terms energy: -814.291418 where: bonds (distance) C4'-P energy: -171.888 bonds (distance) P-C4' energy: -153.166 flat angles C4'-P-C4' energy: -175.923 flat angles P-C4'-P energy: -101.442 tors. eta vs tors. theta energy: -211.871 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: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2395.238384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.238384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.238384 (E_RNA) where: Base-Base interactions energy: -1672.000 where: short stacking energy: -713.233 Base-Backbone interact. energy: 7.258 local terms energy: -730.496412 where: bonds (distance) C4'-P energy: -142.150 bonds (distance) P-C4' energy: -137.143 flat angles C4'-P-C4' energy: -179.945 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -175.465 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: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2390.015711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.015711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.015711 (E_RNA) where: Base-Base interactions energy: -1654.251 where: short stacking energy: -690.143 Base-Backbone interact. energy: -1.150 local terms energy: -734.614825 where: bonds (distance) C4'-P energy: -131.194 bonds (distance) P-C4' energy: -160.066 flat angles C4'-P-C4' energy: -156.412 flat angles P-C4'-P energy: -115.072 tors. eta vs tors. theta energy: -171.871 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: 106 Temperature: 1.150000 Total energy: -1919.631629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.631629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.631629 (E_RNA) where: Base-Base interactions energy: -1271.334 where: short stacking energy: -573.991 Base-Backbone interact. energy: 2.337 local terms energy: -650.635085 where: bonds (distance) C4'-P energy: -128.070 bonds (distance) P-C4' energy: -154.173 flat angles C4'-P-C4' energy: -161.829 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -125.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1944.073487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.073487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.073487 (E_RNA) where: Base-Base interactions energy: -1284.708 where: short stacking energy: -607.977 Base-Backbone interact. energy: 1.370 local terms energy: -660.735582 where: bonds (distance) C4'-P energy: -138.700 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -146.765 flat angles P-C4'-P energy: -80.421 tors. eta vs tors. theta energy: -152.129 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: 2 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1496.627589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.627589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.627589 (E_RNA) where: Base-Base interactions energy: -924.678 where: short stacking energy: -415.210 Base-Backbone interact. energy: 1.283 local terms energy: -573.233125 where: bonds (distance) C4'-P energy: -146.690 bonds (distance) P-C4' energy: -147.248 flat angles C4'-P-C4' energy: -135.813 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -63.558 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: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1352.750551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.750551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.750551 (E_RNA) where: Base-Base interactions energy: -841.413 where: short stacking energy: -397.627 Base-Backbone interact. energy: 4.395 local terms energy: -515.732207 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -131.496 flat angles C4'-P-C4' energy: -139.834 flat angles P-C4'-P energy: -83.405 tors. eta vs tors. theta energy: -36.424 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: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -872.657194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.657194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.657194 (E_RNA) where: Base-Base interactions energy: -412.226 where: short stacking energy: -256.044 Base-Backbone interact. energy: -3.931 local terms energy: -456.500718 where: bonds (distance) C4'-P energy: -107.687 bonds (distance) P-C4' energy: -146.476 flat angles C4'-P-C4' energy: -123.464 flat angles P-C4'-P energy: -73.127 tors. eta vs tors. theta energy: -5.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -2720.941348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.941348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.941348 (E_RNA) where: Base-Base interactions energy: -1915.270 where: short stacking energy: -771.709 Base-Backbone interact. energy: 0.093 local terms energy: -805.764106 where: bonds (distance) C4'-P energy: -153.510 bonds (distance) P-C4' energy: -162.693 flat angles C4'-P-C4' energy: -181.916 flat angles P-C4'-P energy: -118.853 tors. eta vs tors. theta energy: -188.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2647.787010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.787010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.787010 (E_RNA) where: Base-Base interactions energy: -1784.322 where: short stacking energy: -803.755 Base-Backbone interact. energy: -5.987 local terms energy: -857.477887 where: bonds (distance) C4'-P energy: -153.506 bonds (distance) P-C4' energy: -170.956 flat angles C4'-P-C4' energy: -187.512 flat angles P-C4'-P energy: -127.159 tors. eta vs tors. theta energy: -218.345 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: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2629.775727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.775727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.775727 (E_RNA) where: Base-Base interactions energy: -1797.121 where: short stacking energy: -850.971 Base-Backbone interact. energy: -5.363 local terms energy: -827.292345 where: bonds (distance) C4'-P energy: -128.946 bonds (distance) P-C4' energy: -165.653 flat angles C4'-P-C4' energy: -185.266 flat angles P-C4'-P energy: -115.137 tors. eta vs tors. theta energy: -232.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2508.014163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.014163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.014163 (E_RNA) where: Base-Base interactions energy: -1698.865 where: short stacking energy: -713.336 Base-Backbone interact. energy: -5.570 local terms energy: -803.579359 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -158.053 flat angles C4'-P-C4' energy: -168.431 flat angles P-C4'-P energy: -132.347 tors. eta vs tors. theta energy: -195.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2295.145174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.145174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.145174 (E_RNA) where: Base-Base interactions energy: -1585.885 where: short stacking energy: -667.779 Base-Backbone interact. energy: -3.674 local terms energy: -705.586360 where: bonds (distance) C4'-P energy: -134.072 bonds (distance) P-C4' energy: -150.548 flat angles C4'-P-C4' energy: -158.868 flat angles P-C4'-P energy: -96.739 tors. eta vs tors. theta energy: -165.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2052.623398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.623398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.623398 (E_RNA) where: Base-Base interactions energy: -1378.127 where: short stacking energy: -637.625 Base-Backbone interact. energy: -0.309 local terms energy: -674.187088 where: bonds (distance) C4'-P energy: -133.436 bonds (distance) P-C4' energy: -141.226 flat angles C4'-P-C4' energy: -158.209 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: -160.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1872.113304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.113304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.113304 (E_RNA) where: Base-Base interactions energy: -1213.478 where: short stacking energy: -562.033 Base-Backbone interact. energy: -3.758 local terms energy: -654.877135 where: bonds (distance) C4'-P energy: -125.999 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -153.931 flat angles P-C4'-P energy: -99.406 tors. eta vs tors. theta energy: -119.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1584.917547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.917547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.917547 (E_RNA) where: Base-Base interactions energy: -1031.443 where: short stacking energy: -475.016 Base-Backbone interact. energy: -2.983 local terms energy: -550.492121 where: bonds (distance) C4'-P energy: -125.131 bonds (distance) P-C4' energy: -119.924 flat angles C4'-P-C4' energy: -131.880 flat angles P-C4'-P energy: -86.012 tors. eta vs tors. theta energy: -87.546 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: 10 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1386.685304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.685304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.685304 (E_RNA) where: Base-Base interactions energy: -856.834 where: short stacking energy: -425.857 Base-Backbone interact. energy: 12.619 local terms energy: -542.470726 where: bonds (distance) C4'-P energy: -143.123 bonds (distance) P-C4' energy: -136.051 flat angles C4'-P-C4' energy: -127.586 flat angles P-C4'-P energy: -70.736 tors. eta vs tors. theta energy: -64.975 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: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -895.602857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.602857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.602857 (E_RNA) where: Base-Base interactions energy: -486.296 where: short stacking energy: -270.371 Base-Backbone interact. energy: 3.445 local terms energy: -412.752086 where: bonds (distance) C4'-P energy: -128.169 bonds (distance) P-C4' energy: -126.813 flat angles C4'-P-C4' energy: -103.245 flat angles P-C4'-P energy: -62.940 tors. eta vs tors. theta energy: 8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -2742.290550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.290550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.290550 (E_RNA) where: Base-Base interactions energy: -1904.160 where: short stacking energy: -760.305 Base-Backbone interact. energy: -5.574 local terms energy: -832.557468 where: bonds (distance) C4'-P energy: -177.147 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -177.758 flat angles P-C4'-P energy: -112.881 tors. eta vs tors. theta energy: -195.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2646.601423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.601423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.601423 (E_RNA) where: Base-Base interactions energy: -1826.156 where: short stacking energy: -827.734 Base-Backbone interact. energy: -0.348 local terms energy: -820.098006 where: bonds (distance) C4'-P energy: -158.194 bonds (distance) P-C4' energy: -168.470 flat angles C4'-P-C4' energy: -177.910 flat angles P-C4'-P energy: -102.221 tors. eta vs tors. theta energy: -213.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2653.746082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.746082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.746082 (E_RNA) where: Base-Base interactions energy: -1822.985 where: short stacking energy: -850.441 Base-Backbone interact. energy: 4.823 local terms energy: -835.584823 where: bonds (distance) C4'-P energy: -142.253 bonds (distance) P-C4' energy: -155.988 flat angles C4'-P-C4' energy: -182.426 flat angles P-C4'-P energy: -120.644 tors. eta vs tors. theta energy: -234.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2552.354434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.354434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.354434 (E_RNA) where: Base-Base interactions energy: -1747.110 where: short stacking energy: -733.821 Base-Backbone interact. energy: -1.562 local terms energy: -803.682197 where: bonds (distance) C4'-P energy: -154.571 bonds (distance) P-C4' energy: -165.698 flat angles C4'-P-C4' energy: -184.940 flat angles P-C4'-P energy: -104.819 tors. eta vs tors. theta energy: -193.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2302.493663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.493663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.493663 (E_RNA) where: Base-Base interactions energy: -1578.748 where: short stacking energy: -681.056 Base-Backbone interact. energy: 0.514 local terms energy: -724.259718 where: bonds (distance) C4'-P energy: -141.814 bonds (distance) P-C4' energy: -161.924 flat angles C4'-P-C4' energy: -159.677 flat angles P-C4'-P energy: -91.754 tors. eta vs tors. theta energy: -169.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2091.602424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.602424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.602424 (E_RNA) where: Base-Base interactions energy: -1402.395 where: short stacking energy: -671.828 Base-Backbone interact. energy: 2.429 local terms energy: -691.636120 where: bonds (distance) C4'-P energy: -133.290 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -164.316 flat angles P-C4'-P energy: -85.577 tors. eta vs tors. theta energy: -169.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1868.397343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.397343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.397343 (E_RNA) where: Base-Base interactions energy: -1203.049 where: short stacking energy: -526.327 Base-Backbone interact. energy: 2.611 local terms energy: -667.958715 where: bonds (distance) C4'-P energy: -143.953 bonds (distance) P-C4' energy: -155.356 flat angles C4'-P-C4' energy: -155.747 flat angles P-C4'-P energy: -96.569 tors. eta vs tors. theta energy: -116.334 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: 2 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1609.590363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.590363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.590363 (E_RNA) where: Base-Base interactions energy: -1014.400 where: short stacking energy: -465.720 Base-Backbone interact. energy: 1.172 local terms energy: -596.363155 where: bonds (distance) C4'-P energy: -110.256 bonds (distance) P-C4' energy: -144.974 flat angles C4'-P-C4' energy: -141.682 flat angles P-C4'-P energy: -100.752 tors. eta vs tors. theta energy: -98.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1403.587977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.587977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.587977 (E_RNA) where: Base-Base interactions energy: -859.186 where: short stacking energy: -416.448 Base-Backbone interact. energy: -3.505 local terms energy: -540.896673 where: bonds (distance) C4'-P energy: -121.902 bonds (distance) P-C4' energy: -139.235 flat angles C4'-P-C4' energy: -122.751 flat angles P-C4'-P energy: -75.164 tors. eta vs tors. theta energy: -81.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -902.454628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.454628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.454628 (E_RNA) where: Base-Base interactions energy: -477.582 where: short stacking energy: -265.260 Base-Backbone interact. energy: -3.566 local terms energy: -421.306598 where: bonds (distance) C4'-P energy: -99.489 bonds (distance) P-C4' energy: -139.431 flat angles C4'-P-C4' energy: -111.312 flat angles P-C4'-P energy: -65.685 tors. eta vs tors. theta energy: -5.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -2746.249151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.249151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.249151 (E_RNA) where: Base-Base interactions energy: -1941.141 where: short stacking energy: -783.659 Base-Backbone interact. energy: -5.123 local terms energy: -799.984535 where: bonds (distance) C4'-P energy: -149.963 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -187.243 flat angles P-C4'-P energy: -121.779 tors. eta vs tors. theta energy: -196.014 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: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2711.237223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.237223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.237223 (E_RNA) where: Base-Base interactions energy: -1835.972 where: short stacking energy: -846.944 Base-Backbone interact. energy: -1.033 local terms energy: -874.231688 where: bonds (distance) C4'-P energy: -165.711 bonds (distance) P-C4' energy: -166.056 flat angles C4'-P-C4' energy: -183.757 flat angles P-C4'-P energy: -119.220 tors. eta vs tors. theta energy: -239.488 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2563.069085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.069085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.069085 (E_RNA) where: Base-Base interactions energy: -1735.899 where: short stacking energy: -752.166 Base-Backbone interact. energy: -1.935 local terms energy: -825.234718 where: bonds (distance) C4'-P energy: -146.726 bonds (distance) P-C4' energy: -160.662 flat angles C4'-P-C4' energy: -197.754 flat angles P-C4'-P energy: -107.615 tors. eta vs tors. theta energy: -212.478 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: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2533.329151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.329151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.329151 (E_RNA) where: Base-Base interactions energy: -1761.688 where: short stacking energy: -766.537 Base-Backbone interact. energy: -2.008 local terms energy: -769.633189 where: bonds (distance) C4'-P energy: -131.916 bonds (distance) P-C4' energy: -155.491 flat angles C4'-P-C4' energy: -167.998 flat angles P-C4'-P energy: -110.655 tors. eta vs tors. theta energy: -203.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2239.090174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.090174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.090174 (E_RNA) where: Base-Base interactions energy: -1527.244 where: short stacking energy: -659.330 Base-Backbone interact. energy: -3.298 local terms energy: -708.548390 where: bonds (distance) C4'-P energy: -134.780 bonds (distance) P-C4' energy: -160.983 flat angles C4'-P-C4' energy: -160.457 flat angles P-C4'-P energy: -107.026 tors. eta vs tors. theta energy: -145.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2129.677384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.677384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.677384 (E_RNA) where: Base-Base interactions energy: -1396.365 where: short stacking energy: -646.572 Base-Backbone interact. energy: -1.131 local terms energy: -732.181172 where: bonds (distance) C4'-P energy: -157.812 bonds (distance) P-C4' energy: -151.526 flat angles C4'-P-C4' energy: -161.787 flat angles P-C4'-P energy: -102.644 tors. eta vs tors. theta energy: -158.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1750.779295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.779295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.779295 (E_RNA) where: Base-Base interactions energy: -1119.755 where: short stacking energy: -546.047 Base-Backbone interact. energy: -2.410 local terms energy: -628.614633 where: bonds (distance) C4'-P energy: -120.171 bonds (distance) P-C4' energy: -139.493 flat angles C4'-P-C4' energy: -151.427 flat angles P-C4'-P energy: -88.597 tors. eta vs tors. theta energy: -128.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1606.262587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.262587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.262587 (E_RNA) where: Base-Base interactions energy: -1020.280 where: short stacking energy: -475.079 Base-Backbone interact. energy: 2.569 local terms energy: -588.551313 where: bonds (distance) C4'-P energy: -122.611 bonds (distance) P-C4' energy: -146.085 flat angles C4'-P-C4' energy: -142.165 flat angles P-C4'-P energy: -91.056 tors. eta vs tors. theta energy: -86.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1411.675421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.675421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.675421 (E_RNA) where: Base-Base interactions energy: -841.191 where: short stacking energy: -426.193 Base-Backbone interact. energy: -0.304 local terms energy: -570.180680 where: bonds (distance) C4'-P energy: -137.031 bonds (distance) P-C4' energy: -136.403 flat angles C4'-P-C4' energy: -140.246 flat angles P-C4'-P energy: -74.392 tors. eta vs tors. theta energy: -82.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -846.196147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.196147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.196147 (E_RNA) where: Base-Base interactions energy: -405.781 where: short stacking energy: -268.214 Base-Backbone interact. energy: -2.729 local terms energy: -437.686644 where: bonds (distance) C4'-P energy: -125.463 bonds (distance) P-C4' energy: -143.764 flat angles C4'-P-C4' energy: -103.036 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -8.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -2750.041844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.041844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.041844 (E_RNA) where: Base-Base interactions energy: -1924.139 where: short stacking energy: -787.994 Base-Backbone interact. energy: -0.630 local terms energy: -825.273040 where: bonds (distance) C4'-P energy: -178.138 bonds (distance) P-C4' energy: -158.430 flat angles C4'-P-C4' energy: -191.066 flat angles P-C4'-P energy: -119.434 tors. eta vs tors. theta energy: -178.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2685.115206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.115206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.115206 (E_RNA) where: Base-Base interactions energy: -1834.228 where: short stacking energy: -841.509 Base-Backbone interact. energy: 2.373 local terms energy: -853.260770 where: bonds (distance) C4'-P energy: -149.954 bonds (distance) P-C4' energy: -165.686 flat angles C4'-P-C4' energy: -183.219 flat angles P-C4'-P energy: -119.229 tors. eta vs tors. theta energy: -235.172 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: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2598.621156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.621156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.621156 (E_RNA) where: Base-Base interactions energy: -1764.635 where: short stacking energy: -744.773 Base-Backbone interact. energy: -6.203 local terms energy: -827.782988 where: bonds (distance) C4'-P energy: -163.494 bonds (distance) P-C4' energy: -174.639 flat angles C4'-P-C4' energy: -177.534 flat angles P-C4'-P energy: -118.029 tors. eta vs tors. theta energy: -194.088 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: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2490.208403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.208403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.208403 (E_RNA) where: Base-Base interactions energy: -1711.840 where: short stacking energy: -781.076 Base-Backbone interact. energy: -0.080 local terms energy: -778.288679 where: bonds (distance) C4'-P energy: -140.110 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -174.825 flat angles P-C4'-P energy: -125.155 tors. eta vs tors. theta energy: -195.354 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: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2246.017741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.017741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.017741 (E_RNA) where: Base-Base interactions energy: -1511.709 where: short stacking energy: -665.188 Base-Backbone interact. energy: -4.025 local terms energy: -730.284640 where: bonds (distance) C4'-P energy: -134.618 bonds (distance) P-C4' energy: -169.003 flat angles C4'-P-C4' energy: -161.474 flat angles P-C4'-P energy: -93.297 tors. eta vs tors. theta energy: -171.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2113.610715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.610715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.610715 (E_RNA) where: Base-Base interactions energy: -1411.854 where: short stacking energy: -662.743 Base-Backbone interact. energy: -1.851 local terms energy: -699.906109 where: bonds (distance) C4'-P energy: -138.776 bonds (distance) P-C4' energy: -137.240 flat angles C4'-P-C4' energy: -153.976 flat angles P-C4'-P energy: -103.766 tors. eta vs tors. theta energy: -166.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1751.562953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.562953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.562953 (E_RNA) where: Base-Base interactions energy: -1123.836 where: short stacking energy: -514.547 Base-Backbone interact. energy: 1.067 local terms energy: -628.794126 where: bonds (distance) C4'-P energy: -143.135 bonds (distance) P-C4' energy: -128.623 flat angles C4'-P-C4' energy: -146.936 flat angles P-C4'-P energy: -86.563 tors. eta vs tors. theta energy: -123.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1571.948213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.948213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.948213 (E_RNA) where: Base-Base interactions energy: -1004.745 where: short stacking energy: -472.737 Base-Backbone interact. energy: -1.648 local terms energy: -565.555290 where: bonds (distance) C4'-P energy: -123.262 bonds (distance) P-C4' energy: -142.465 flat angles C4'-P-C4' energy: -149.727 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -80.037 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: 9, replica: 10 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1426.709645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.709645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.709645 (E_RNA) where: Base-Base interactions energy: -854.339 where: short stacking energy: -433.408 Base-Backbone interact. energy: 2.283 local terms energy: -574.653748 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -151.531 flat angles C4'-P-C4' energy: -147.174 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -71.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -819.684104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.684104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.684104 (E_RNA) where: Base-Base interactions energy: -397.023 where: short stacking energy: -218.318 Base-Backbone interact. energy: 1.471 local terms energy: -424.132017 where: bonds (distance) C4'-P energy: -131.908 bonds (distance) P-C4' energy: -145.501 flat angles C4'-P-C4' energy: -112.893 flat angles P-C4'-P energy: -47.683 tors. eta vs tors. theta energy: 13.853 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: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -2721.885893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.885893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.885893 (E_RNA) where: Base-Base interactions energy: -1877.215 where: short stacking energy: -745.342 Base-Backbone interact. energy: -1.405 local terms energy: -843.266257 where: bonds (distance) C4'-P energy: -166.886 bonds (distance) P-C4' energy: -171.474 flat angles C4'-P-C4' energy: -181.383 flat angles P-C4'-P energy: -131.421 tors. eta vs tors. theta energy: -192.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2674.274262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.274262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.274262 (E_RNA) where: Base-Base interactions energy: -1834.352 where: short stacking energy: -785.234 Base-Backbone interact. energy: -1.355 local terms energy: -838.567661 where: bonds (distance) C4'-P energy: -166.215 bonds (distance) P-C4' energy: -160.224 flat angles C4'-P-C4' energy: -178.972 flat angles P-C4'-P energy: -130.056 tors. eta vs tors. theta energy: -203.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2649.053024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.053024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.053024 (E_RNA) where: Base-Base interactions energy: -1814.841 where: short stacking energy: -811.017 Base-Backbone interact. energy: -2.137 local terms energy: -832.074989 where: bonds (distance) C4'-P energy: -130.173 bonds (distance) P-C4' energy: -157.381 flat angles C4'-P-C4' energy: -185.567 flat angles P-C4'-P energy: -120.104 tors. eta vs tors. theta energy: -238.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2513.374369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.374369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.374369 (E_RNA) where: Base-Base interactions energy: -1733.233 where: short stacking energy: -747.833 Base-Backbone interact. energy: -1.950 local terms energy: -778.191611 where: bonds (distance) C4'-P energy: -135.727 bonds (distance) P-C4' energy: -152.971 flat angles C4'-P-C4' energy: -178.907 flat angles P-C4'-P energy: -110.260 tors. eta vs tors. theta energy: -200.326 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2238.312418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.312418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.312418 (E_RNA) where: Base-Base interactions energy: -1499.740 where: short stacking energy: -654.028 Base-Backbone interact. energy: -3.874 local terms energy: -734.699227 where: bonds (distance) C4'-P energy: -138.784 bonds (distance) P-C4' energy: -162.114 flat angles C4'-P-C4' energy: -155.168 flat angles P-C4'-P energy: -110.105 tors. eta vs tors. theta energy: -168.529 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: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2117.429175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.429175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.429175 (E_RNA) where: Base-Base interactions energy: -1363.850 where: short stacking energy: -599.108 Base-Backbone interact. energy: 1.742 local terms energy: -755.321766 where: bonds (distance) C4'-P energy: -171.621 bonds (distance) P-C4' energy: -155.554 flat angles C4'-P-C4' energy: -159.377 flat angles P-C4'-P energy: -110.338 tors. eta vs tors. theta energy: -158.433 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: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1749.259772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.259772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.259772 (E_RNA) where: Base-Base interactions energy: -1095.980 where: short stacking energy: -539.621 Base-Backbone interact. energy: -5.653 local terms energy: -647.626363 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -149.369 flat angles C4'-P-C4' energy: -154.696 flat angles P-C4'-P energy: -92.097 tors. eta vs tors. theta energy: -120.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1691.407337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.407337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.407337 (E_RNA) where: Base-Base interactions energy: -1087.513 where: short stacking energy: -465.119 Base-Backbone interact. energy: -0.278 local terms energy: -603.616240 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -144.472 flat angles C4'-P-C4' energy: -133.568 flat angles P-C4'-P energy: -84.054 tors. eta vs tors. theta energy: -91.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1425.316888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.316888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.316888 (E_RNA) where: Base-Base interactions energy: -894.624 where: short stacking energy: -419.205 Base-Backbone interact. energy: 1.429 local terms energy: -532.122422 where: bonds (distance) C4'-P energy: -100.659 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -130.812 flat angles P-C4'-P energy: -94.269 tors. eta vs tors. theta energy: -60.442 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: 111 Temperature: 1.350000 Total energy: -784.731426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.731426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.731426 (E_RNA) where: Base-Base interactions energy: -371.425 where: short stacking energy: -227.143 Base-Backbone interact. energy: -1.406 local terms energy: -411.900551 where: bonds (distance) C4'-P energy: -107.785 bonds (distance) P-C4' energy: -130.606 flat angles C4'-P-C4' energy: -116.619 flat angles P-C4'-P energy: -56.884 tors. eta vs tors. theta energy: -0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -2729.715106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.715106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.715106 (E_RNA) where: Base-Base interactions energy: -1912.698 where: short stacking energy: -773.764 Base-Backbone interact. energy: 3.050 local terms energy: -820.067359 where: bonds (distance) C4'-P energy: -167.636 bonds (distance) P-C4' energy: -162.377 flat angles C4'-P-C4' energy: -190.534 flat angles P-C4'-P energy: -113.728 tors. eta vs tors. theta energy: -185.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -2715.528475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.528475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.528475 (E_RNA) where: Base-Base interactions energy: -1908.682 where: short stacking energy: -820.767 Base-Backbone interact. energy: 2.461 local terms energy: -809.307557 where: bonds (distance) C4'-P energy: -144.258 bonds (distance) P-C4' energy: -175.368 flat angles C4'-P-C4' energy: -175.642 flat angles P-C4'-P energy: -104.096 tors. eta vs tors. theta energy: -209.943 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: 1 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2627.786012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.786012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.786012 (E_RNA) where: Base-Base interactions energy: -1794.285 where: short stacking energy: -802.882 Base-Backbone interact. energy: -1.706 local terms energy: -831.795726 where: bonds (distance) C4'-P energy: -158.314 bonds (distance) P-C4' energy: -162.110 flat angles C4'-P-C4' energy: -167.800 flat angles P-C4'-P energy: -105.826 tors. eta vs tors. theta energy: -237.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2471.858505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.858505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.858505 (E_RNA) where: Base-Base interactions energy: -1710.814 where: short stacking energy: -742.437 Base-Backbone interact. energy: -1.701 local terms energy: -759.343127 where: bonds (distance) C4'-P energy: -146.302 bonds (distance) P-C4' energy: -144.608 flat angles C4'-P-C4' energy: -168.324 flat angles P-C4'-P energy: -104.627 tors. eta vs tors. theta energy: -195.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2258.555284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.555284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.555284 (E_RNA) where: Base-Base interactions energy: -1551.927 where: short stacking energy: -686.533 Base-Backbone interact. energy: -1.888 local terms energy: -704.740621 where: bonds (distance) C4'-P energy: -137.160 bonds (distance) P-C4' energy: -142.942 flat angles C4'-P-C4' energy: -166.303 flat angles P-C4'-P energy: -82.897 tors. eta vs tors. theta energy: -175.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2172.885807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.885807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.885807 (E_RNA) where: Base-Base interactions energy: -1444.989 where: short stacking energy: -668.168 Base-Backbone interact. energy: -2.351 local terms energy: -725.545489 where: bonds (distance) C4'-P energy: -137.355 bonds (distance) P-C4' energy: -136.996 flat angles C4'-P-C4' energy: -160.518 flat angles P-C4'-P energy: -110.533 tors. eta vs tors. theta energy: -180.143 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: 112 Temperature: 1.200000 Total energy: -1731.144653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.144653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.144653 (E_RNA) where: Base-Base interactions energy: -1104.609 where: short stacking energy: -509.088 Base-Backbone interact. energy: -2.181 local terms energy: -624.353977 where: bonds (distance) C4'-P energy: -139.652 bonds (distance) P-C4' energy: -132.517 flat angles C4'-P-C4' energy: -152.596 flat angles P-C4'-P energy: -94.513 tors. eta vs tors. theta energy: -105.076 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: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1706.056689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.056689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.056689 (E_RNA) where: Base-Base interactions energy: -1138.544 where: short stacking energy: -505.534 Base-Backbone interact. energy: -2.380 local terms energy: -565.132231 where: bonds (distance) C4'-P energy: -141.535 bonds (distance) P-C4' energy: -135.314 flat angles C4'-P-C4' energy: -137.973 flat angles P-C4'-P energy: -65.386 tors. eta vs tors. theta energy: -84.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1440.166042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.166042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.166042 (E_RNA) where: Base-Base interactions energy: -867.565 where: short stacking energy: -412.209 Base-Backbone interact. energy: -0.174 local terms energy: -572.426647 where: bonds (distance) C4'-P energy: -130.531 bonds (distance) P-C4' energy: -145.318 flat angles C4'-P-C4' energy: -137.120 flat angles P-C4'-P energy: -80.632 tors. eta vs tors. theta energy: -78.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -776.809689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.809689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.809689 (E_RNA) where: Base-Base interactions energy: -368.365 where: short stacking energy: -249.601 Base-Backbone interact. energy: 5.067 local terms energy: -413.511592 where: bonds (distance) C4'-P energy: -105.685 bonds (distance) P-C4' energy: -133.115 flat angles C4'-P-C4' energy: -139.846 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: 16.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -2764.998615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.998615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.998615 (E_RNA) where: Base-Base interactions energy: -1965.744 where: short stacking energy: -810.261 Base-Backbone interact. energy: -5.443 local terms energy: -793.811297 where: bonds (distance) C4'-P energy: -154.953 bonds (distance) P-C4' energy: -149.851 flat angles C4'-P-C4' energy: -175.276 flat angles P-C4'-P energy: -115.658 tors. eta vs tors. theta energy: -198.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -2695.040970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.040970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.040970 (E_RNA) where: Base-Base interactions energy: -1882.010 where: short stacking energy: -796.207 Base-Backbone interact. energy: -5.006 local terms energy: -808.024610 where: bonds (distance) C4'-P energy: -153.850 bonds (distance) P-C4' energy: -151.882 flat angles C4'-P-C4' energy: -175.516 flat angles P-C4'-P energy: -118.444 tors. eta vs tors. theta energy: -208.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2664.125327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.125327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.125327 (E_RNA) where: Base-Base interactions energy: -1814.235 where: short stacking energy: -850.518 Base-Backbone interact. energy: -1.619 local terms energy: -848.271780 where: bonds (distance) C4'-P energy: -153.996 bonds (distance) P-C4' energy: -143.533 flat angles C4'-P-C4' energy: -176.607 flat angles P-C4'-P energy: -126.823 tors. eta vs tors. theta energy: -247.312 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: 113 Temperature: 1.050000 Total energy: -2491.484987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.484987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.484987 (E_RNA) where: Base-Base interactions energy: -1703.534 where: short stacking energy: -738.694 Base-Backbone interact. energy: -3.468 local terms energy: -784.483104 where: bonds (distance) C4'-P energy: -149.014 bonds (distance) P-C4' energy: -166.856 flat angles C4'-P-C4' energy: -175.639 flat angles P-C4'-P energy: -99.785 tors. eta vs tors. theta energy: -193.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2269.733702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.733702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.733702 (E_RNA) where: Base-Base interactions energy: -1517.873 where: short stacking energy: -675.256 Base-Backbone interact. energy: -4.200 local terms energy: -747.660030 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -160.358 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -169.188 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: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2149.800096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.800096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.800096 (E_RNA) where: Base-Base interactions energy: -1402.025 where: short stacking energy: -694.519 Base-Backbone interact. energy: 2.198 local terms energy: -749.973117 where: bonds (distance) C4'-P energy: -146.765 bonds (distance) P-C4' energy: -127.443 flat angles C4'-P-C4' energy: -170.112 flat angles P-C4'-P energy: -119.028 tors. eta vs tors. theta energy: -186.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1724.926893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.926893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.926893 (E_RNA) where: Base-Base interactions energy: -1100.545 where: short stacking energy: -512.659 Base-Backbone interact. energy: -1.909 local terms energy: -622.472212 where: bonds (distance) C4'-P energy: -136.680 bonds (distance) P-C4' energy: -138.950 flat angles C4'-P-C4' energy: -153.540 flat angles P-C4'-P energy: -83.932 tors. eta vs tors. theta energy: -109.370 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: 2 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1626.440217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.440217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.440217 (E_RNA) where: Base-Base interactions energy: -1055.998 where: short stacking energy: -476.093 Base-Backbone interact. energy: -2.170 local terms energy: -568.272146 where: bonds (distance) C4'-P energy: -149.258 bonds (distance) P-C4' energy: -140.103 flat angles C4'-P-C4' energy: -124.415 flat angles P-C4'-P energy: -87.048 tors. eta vs tors. theta energy: -67.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1459.372608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.372608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.372608 (E_RNA) where: Base-Base interactions energy: -923.386 where: short stacking energy: -426.258 Base-Backbone interact. energy: 2.609 local terms energy: -538.594992 where: bonds (distance) C4'-P energy: -140.907 bonds (distance) P-C4' energy: -141.748 flat angles C4'-P-C4' energy: -109.005 flat angles P-C4'-P energy: -85.492 tors. eta vs tors. theta energy: -61.442 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: 113 Temperature: 1.350000 Total energy: -766.589654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.589654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.589654 (E_RNA) where: Base-Base interactions energy: -362.478 where: short stacking energy: -208.195 Base-Backbone interact. energy: 2.054 local terms energy: -406.165857 where: bonds (distance) C4'-P energy: -120.964 bonds (distance) P-C4' energy: -132.793 flat angles C4'-P-C4' energy: -128.948 flat angles P-C4'-P energy: -45.937 tors. eta vs tors. theta energy: 22.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -2753.224546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.224546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.224546 (E_RNA) where: Base-Base interactions energy: -1952.637 where: short stacking energy: -777.809 Base-Backbone interact. energy: -1.695 local terms energy: -798.893362 where: bonds (distance) C4'-P energy: -141.336 bonds (distance) P-C4' energy: -172.401 flat angles C4'-P-C4' energy: -176.719 flat angles P-C4'-P energy: -115.754 tors. eta vs tors. theta energy: -192.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -2717.629591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.629591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.629591 (E_RNA) where: Base-Base interactions energy: -1878.600 where: short stacking energy: -809.054 Base-Backbone interact. energy: 0.204 local terms energy: -839.233125 where: bonds (distance) C4'-P energy: -157.279 bonds (distance) P-C4' energy: -167.341 flat angles C4'-P-C4' energy: -189.561 flat angles P-C4'-P energy: -118.513 tors. eta vs tors. theta energy: -206.540 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: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2681.763958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.763958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.763958 (E_RNA) where: Base-Base interactions energy: -1833.497 where: short stacking energy: -833.050 Base-Backbone interact. energy: -2.438 local terms energy: -845.828870 where: bonds (distance) C4'-P energy: -149.039 bonds (distance) P-C4' energy: -168.067 flat angles C4'-P-C4' energy: -163.181 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -244.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2481.584118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.584118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.584118 (E_RNA) where: Base-Base interactions energy: -1681.224 where: short stacking energy: -714.419 Base-Backbone interact. energy: -3.599 local terms energy: -796.761215 where: bonds (distance) C4'-P energy: -142.243 bonds (distance) P-C4' energy: -152.784 flat angles C4'-P-C4' energy: -177.371 flat angles P-C4'-P energy: -118.109 tors. eta vs tors. theta energy: -206.255 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: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2205.240525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.240525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.240525 (E_RNA) where: Base-Base interactions energy: -1471.004 where: short stacking energy: -612.537 Base-Backbone interact. energy: -0.373 local terms energy: -733.863029 where: bonds (distance) C4'-P energy: -146.310 bonds (distance) P-C4' energy: -161.606 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -116.013 tors. eta vs tors. theta energy: -155.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2119.870033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.870033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.870033 (E_RNA) where: Base-Base interactions energy: -1385.451 where: short stacking energy: -641.478 Base-Backbone interact. energy: -2.359 local terms energy: -732.059926 where: bonds (distance) C4'-P energy: -133.648 bonds (distance) P-C4' energy: -141.201 flat angles C4'-P-C4' energy: -166.106 flat angles P-C4'-P energy: -106.441 tors. eta vs tors. theta energy: -184.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1800.675140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.675140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.675140 (E_RNA) where: Base-Base interactions energy: -1168.024 where: short stacking energy: -548.020 Base-Backbone interact. energy: -0.325 local terms energy: -632.326764 where: bonds (distance) C4'-P energy: -131.774 bonds (distance) P-C4' energy: -132.801 flat angles C4'-P-C4' energy: -132.316 flat angles P-C4'-P energy: -114.277 tors. eta vs tors. theta energy: -121.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1616.561098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.561098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.561098 (E_RNA) where: Base-Base interactions energy: -1055.921 where: short stacking energy: -478.535 Base-Backbone interact. energy: 1.432 local terms energy: -562.072246 where: bonds (distance) C4'-P energy: -121.109 bonds (distance) P-C4' energy: -132.997 flat angles C4'-P-C4' energy: -143.374 flat angles P-C4'-P energy: -77.706 tors. eta vs tors. theta energy: -86.886 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: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1426.539586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.539586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.539586 (E_RNA) where: Base-Base interactions energy: -890.866 where: short stacking energy: -410.127 Base-Backbone interact. energy: -5.391 local terms energy: -530.283221 where: bonds (distance) C4'-P energy: -121.020 bonds (distance) P-C4' energy: -129.415 flat angles C4'-P-C4' energy: -137.103 flat angles P-C4'-P energy: -74.616 tors. eta vs tors. theta energy: -68.130 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: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -783.801367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.801367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.801367 (E_RNA) where: Base-Base interactions energy: -360.411 where: short stacking energy: -220.528 Base-Backbone interact. energy: 0.225 local terms energy: -423.615576 where: bonds (distance) C4'-P energy: -128.791 bonds (distance) P-C4' energy: -124.498 flat angles C4'-P-C4' energy: -122.906 flat angles P-C4'-P energy: -63.166 tors. eta vs tors. theta energy: 15.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -2731.029301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.029301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.029301 (E_RNA) where: Base-Base interactions energy: -1907.523 where: short stacking energy: -771.931 Base-Backbone interact. energy: -4.140 local terms energy: -819.366901 where: bonds (distance) C4'-P energy: -162.768 bonds (distance) P-C4' energy: -156.993 flat angles C4'-P-C4' energy: -189.178 flat angles P-C4'-P energy: -117.704 tors. eta vs tors. theta energy: -192.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -2759.132655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.132655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.132655 (E_RNA) where: Base-Base interactions energy: -1893.797 where: short stacking energy: -855.377 Base-Backbone interact. energy: -3.632 local terms energy: -861.703974 where: bonds (distance) C4'-P energy: -151.918 bonds (distance) P-C4' energy: -160.254 flat angles C4'-P-C4' energy: -189.732 flat angles P-C4'-P energy: -118.641 tors. eta vs tors. theta energy: -241.158 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: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2641.134380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.134380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.134380 (E_RNA) where: Base-Base interactions energy: -1834.503 where: short stacking energy: -796.786 Base-Backbone interact. energy: -4.386 local terms energy: -802.245476 where: bonds (distance) C4'-P energy: -154.828 bonds (distance) P-C4' energy: -143.621 flat angles C4'-P-C4' energy: -180.294 flat angles P-C4'-P energy: -106.421 tors. eta vs tors. theta energy: -217.082 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: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2463.852478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.852478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.852478 (E_RNA) where: Base-Base interactions energy: -1648.748 where: short stacking energy: -762.037 Base-Backbone interact. energy: 2.266 local terms energy: -817.370684 where: bonds (distance) C4'-P energy: -147.704 bonds (distance) P-C4' energy: -157.943 flat angles C4'-P-C4' energy: -182.699 flat angles P-C4'-P energy: -115.286 tors. eta vs tors. theta energy: -213.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2243.295460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.295460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.295460 (E_RNA) where: Base-Base interactions energy: -1500.251 where: short stacking energy: -658.274 Base-Backbone interact. energy: -1.918 local terms energy: -741.126496 where: bonds (distance) C4'-P energy: -159.049 bonds (distance) P-C4' energy: -152.382 flat angles C4'-P-C4' energy: -164.372 flat angles P-C4'-P energy: -96.889 tors. eta vs tors. theta energy: -168.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2102.380900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.380900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.380900 (E_RNA) where: Base-Base interactions energy: -1398.311 where: short stacking energy: -667.275 Base-Backbone interact. energy: 0.467 local terms energy: -704.536410 where: bonds (distance) C4'-P energy: -149.024 bonds (distance) P-C4' energy: -151.057 flat angles C4'-P-C4' energy: -150.988 flat angles P-C4'-P energy: -88.713 tors. eta vs tors. theta energy: -164.754 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: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1809.677889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.677889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.677889 (E_RNA) where: Base-Base interactions energy: -1175.861 where: short stacking energy: -562.666 Base-Backbone interact. energy: 0.265 local terms energy: -634.081983 where: bonds (distance) C4'-P energy: -129.771 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -161.695 flat angles P-C4'-P energy: -61.636 tors. eta vs tors. theta energy: -123.797 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: 2 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1521.398651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.398651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.398651 (E_RNA) where: Base-Base interactions energy: -992.978 where: short stacking energy: -449.722 Base-Backbone interact. energy: 1.791 local terms energy: -530.211610 where: bonds (distance) C4'-P energy: -127.485 bonds (distance) P-C4' energy: -134.643 flat angles C4'-P-C4' energy: -141.735 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -56.603 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: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1454.728986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.728986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.728986 (E_RNA) where: Base-Base interactions energy: -906.188 where: short stacking energy: -408.316 Base-Backbone interact. energy: -0.106 local terms energy: -548.435143 where: bonds (distance) C4'-P energy: -134.977 bonds (distance) P-C4' energy: -151.841 flat angles C4'-P-C4' energy: -123.471 flat angles P-C4'-P energy: -85.210 tors. eta vs tors. theta energy: -52.937 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -782.200620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.200620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.200620 (E_RNA) where: Base-Base interactions energy: -375.978 where: short stacking energy: -240.159 Base-Backbone interact. energy: 1.844 local terms energy: -408.066484 where: bonds (distance) C4'-P energy: -130.367 bonds (distance) P-C4' energy: -136.511 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -70.151 tors. eta vs tors. theta energy: 29.037 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: 1, replica: 1 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -2821.676979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.676979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.676979 (E_RNA) where: Base-Base interactions energy: -1910.325 where: short stacking energy: -867.252 Base-Backbone interact. energy: -4.022 local terms energy: -907.330518 where: bonds (distance) C4'-P energy: -150.041 bonds (distance) P-C4' energy: -182.402 flat angles C4'-P-C4' energy: -198.215 flat angles P-C4'-P energy: -133.807 tors. eta vs tors. theta energy: -242.866 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: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2683.734916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.734916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.734916 (E_RNA) where: Base-Base interactions energy: -1872.666 where: short stacking energy: -757.236 Base-Backbone interact. energy: -1.170 local terms energy: -809.898271 where: bonds (distance) C4'-P energy: -151.881 bonds (distance) P-C4' energy: -171.308 flat angles C4'-P-C4' energy: -176.553 flat angles P-C4'-P energy: -126.916 tors. eta vs tors. theta energy: -183.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2680.019734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.019734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.019734 (E_RNA) where: Base-Base interactions energy: -1830.449 where: short stacking energy: -799.432 Base-Backbone interact. energy: -4.792 local terms energy: -844.779090 where: bonds (distance) C4'-P energy: -170.523 bonds (distance) P-C4' energy: -173.499 flat angles C4'-P-C4' energy: -179.551 flat angles P-C4'-P energy: -112.120 tors. eta vs tors. theta energy: -209.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2456.103648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.103648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.103648 (E_RNA) where: Base-Base interactions energy: -1673.730 where: short stacking energy: -750.220 Base-Backbone interact. energy: -4.415 local terms energy: -777.959167 where: bonds (distance) C4'-P energy: -150.028 bonds (distance) P-C4' energy: -157.203 flat angles C4'-P-C4' energy: -180.805 flat angles P-C4'-P energy: -95.115 tors. eta vs tors. theta energy: -194.808 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: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2267.634025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.634025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.634025 (E_RNA) where: Base-Base interactions energy: -1560.906 where: short stacking energy: -637.217 Base-Backbone interact. energy: -5.130 local terms energy: -701.597685 where: bonds (distance) C4'-P energy: -153.952 bonds (distance) P-C4' energy: -151.724 flat angles C4'-P-C4' energy: -163.061 flat angles P-C4'-P energy: -79.631 tors. eta vs tors. theta energy: -153.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2128.623593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.623593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.623593 (E_RNA) where: Base-Base interactions energy: -1371.127 where: short stacking energy: -635.684 Base-Backbone interact. energy: -2.155 local terms energy: -755.341892 where: bonds (distance) C4'-P energy: -160.473 bonds (distance) P-C4' energy: -147.137 flat angles C4'-P-C4' energy: -174.674 flat angles P-C4'-P energy: -96.503 tors. eta vs tors. theta energy: -176.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1807.906655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.906655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.906655 (E_RNA) where: Base-Base interactions energy: -1178.278 where: short stacking energy: -547.553 Base-Backbone interact. energy: -1.626 local terms energy: -628.002364 where: bonds (distance) C4'-P energy: -143.668 bonds (distance) P-C4' energy: -130.636 flat angles C4'-P-C4' energy: -132.506 flat angles P-C4'-P energy: -85.354 tors. eta vs tors. theta energy: -135.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1548.442685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.442685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.442685 (E_RNA) where: Base-Base interactions energy: -987.015 where: short stacking energy: -459.178 Base-Backbone interact. energy: -1.374 local terms energy: -560.054520 where: bonds (distance) C4'-P energy: -121.316 bonds (distance) P-C4' energy: -139.133 flat angles C4'-P-C4' energy: -146.579 flat angles P-C4'-P energy: -83.479 tors. eta vs tors. theta energy: -69.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1437.365890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.365890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.365890 (E_RNA) where: Base-Base interactions energy: -868.432 where: short stacking energy: -420.553 Base-Backbone interact. energy: -1.357 local terms energy: -567.576919 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -142.087 flat angles C4'-P-C4' energy: -128.371 flat angles P-C4'-P energy: -89.792 tors. eta vs tors. theta energy: -73.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -733.116934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.116934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.116934 (E_RNA) where: Base-Base interactions energy: -325.165 where: short stacking energy: -248.188 Base-Backbone interact. energy: 2.288 local terms energy: -410.239331 where: bonds (distance) C4'-P energy: -119.548 bonds (distance) P-C4' energy: -134.175 flat angles C4'-P-C4' energy: -101.291 flat angles P-C4'-P energy: -63.455 tors. eta vs tors. theta energy: 8.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -2838.914201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.914201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.914201 (E_RNA) where: Base-Base interactions energy: -1945.738 where: short stacking energy: -885.370 Base-Backbone interact. energy: -3.139 local terms energy: -890.037637 where: bonds (distance) C4'-P energy: -146.760 bonds (distance) P-C4' energy: -166.691 flat angles C4'-P-C4' energy: -196.318 flat angles P-C4'-P energy: -124.954 tors. eta vs tors. theta energy: -255.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -2656.652317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.652317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.652317 (E_RNA) where: Base-Base interactions energy: -1868.217 where: short stacking energy: -764.764 Base-Backbone interact. energy: 8.907 local terms energy: -797.342335 where: bonds (distance) C4'-P energy: -159.325 bonds (distance) P-C4' energy: -162.069 flat angles C4'-P-C4' energy: -187.390 flat angles P-C4'-P energy: -96.297 tors. eta vs tors. theta energy: -192.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2621.202333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.202333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.202333 (E_RNA) where: Base-Base interactions energy: -1810.817 where: short stacking energy: -784.906 Base-Backbone interact. energy: -1.800 local terms energy: -808.585798 where: bonds (distance) C4'-P energy: -156.972 bonds (distance) P-C4' energy: -160.937 flat angles C4'-P-C4' energy: -169.209 flat angles P-C4'-P energy: -108.618 tors. eta vs tors. theta energy: -212.849 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: 4 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2454.592021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.592021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.592021 (E_RNA) where: Base-Base interactions energy: -1662.671 where: short stacking energy: -715.523 Base-Backbone interact. energy: -5.551 local terms energy: -786.370614 where: bonds (distance) C4'-P energy: -137.803 bonds (distance) P-C4' energy: -148.350 flat angles C4'-P-C4' energy: -191.270 flat angles P-C4'-P energy: -122.721 tors. eta vs tors. theta energy: -186.226 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: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2254.805926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.805926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.805926 (E_RNA) where: Base-Base interactions energy: -1540.926 where: short stacking energy: -645.774 Base-Backbone interact. energy: -2.669 local terms energy: -711.211535 where: bonds (distance) C4'-P energy: -148.114 bonds (distance) P-C4' energy: -150.286 flat angles C4'-P-C4' energy: -152.392 flat angles P-C4'-P energy: -96.484 tors. eta vs tors. theta energy: -163.936 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: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2119.534779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.534779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.534779 (E_RNA) where: Base-Base interactions energy: -1419.846 where: short stacking energy: -664.888 Base-Backbone interact. energy: 2.263 local terms energy: -701.951873 where: bonds (distance) C4'-P energy: -122.622 bonds (distance) P-C4' energy: -144.399 flat angles C4'-P-C4' energy: -164.829 flat angles P-C4'-P energy: -100.999 tors. eta vs tors. theta energy: -169.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1812.614076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.614076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.614076 (E_RNA) where: Base-Base interactions energy: -1149.568 where: short stacking energy: -511.478 Base-Backbone interact. energy: 2.072 local terms energy: -665.118093 where: bonds (distance) C4'-P energy: -141.005 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -160.336 flat angles P-C4'-P energy: -93.116 tors. eta vs tors. theta energy: -116.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1654.604501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.604501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.604501 (E_RNA) where: Base-Base interactions energy: -1044.881 where: short stacking energy: -471.289 Base-Backbone interact. energy: 1.655 local terms energy: -611.378311 where: bonds (distance) C4'-P energy: -138.939 bonds (distance) P-C4' energy: -155.901 flat angles C4'-P-C4' energy: -136.919 flat angles P-C4'-P energy: -88.314 tors. eta vs tors. theta energy: -91.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1392.013248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.013248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.013248 (E_RNA) where: Base-Base interactions energy: -848.313 where: short stacking energy: -388.114 Base-Backbone interact. energy: 2.957 local terms energy: -546.656853 where: bonds (distance) C4'-P energy: -122.748 bonds (distance) P-C4' energy: -137.859 flat angles C4'-P-C4' energy: -134.635 flat angles P-C4'-P energy: -98.359 tors. eta vs tors. theta energy: -53.055 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: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -740.355515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.355515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.355515 (E_RNA) where: Base-Base interactions energy: -322.891 where: short stacking energy: -203.102 Base-Backbone interact. energy: 1.473 local terms energy: -418.938009 where: bonds (distance) C4'-P energy: -115.159 bonds (distance) P-C4' energy: -138.754 flat angles C4'-P-C4' energy: -104.041 flat angles P-C4'-P energy: -64.046 tors. eta vs tors. theta energy: 3.062 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: 118 Temperature: 0.900000 Total energy: -2883.815171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.815171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.815171 (E_RNA) where: Base-Base interactions energy: -1967.658 where: short stacking energy: -903.347 Base-Backbone interact. energy: -3.631 local terms energy: -912.526864 where: bonds (distance) C4'-P energy: -173.021 bonds (distance) P-C4' energy: -164.053 flat angles C4'-P-C4' energy: -188.228 flat angles P-C4'-P energy: -125.390 tors. eta vs tors. theta energy: -261.835 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: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -2654.473597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.473597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.473597 (E_RNA) where: Base-Base interactions energy: -1858.665 where: short stacking energy: -762.812 Base-Backbone interact. energy: -4.499 local terms energy: -791.309626 where: bonds (distance) C4'-P energy: -137.265 bonds (distance) P-C4' energy: -161.876 flat angles C4'-P-C4' energy: -181.363 flat angles P-C4'-P energy: -125.463 tors. eta vs tors. theta energy: -185.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2628.729245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.729245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.729245 (E_RNA) where: Base-Base interactions energy: -1822.660 where: short stacking energy: -780.888 Base-Backbone interact. energy: -2.013 local terms energy: -804.056718 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -183.408 flat angles P-C4'-P energy: -113.456 tors. eta vs tors. theta energy: -208.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2450.240039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.240039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.240039 (E_RNA) where: Base-Base interactions energy: -1660.761 where: short stacking energy: -733.125 Base-Backbone interact. energy: -0.448 local terms energy: -789.031282 where: bonds (distance) C4'-P energy: -151.048 bonds (distance) P-C4' energy: -146.053 flat angles C4'-P-C4' energy: -186.058 flat angles P-C4'-P energy: -118.573 tors. eta vs tors. theta energy: -187.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2217.558770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.558770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.558770 (E_RNA) where: Base-Base interactions energy: -1444.280 where: short stacking energy: -661.993 Base-Backbone interact. energy: -4.270 local terms energy: -769.008961 where: bonds (distance) C4'-P energy: -163.175 bonds (distance) P-C4' energy: -156.148 flat angles C4'-P-C4' energy: -170.038 flat angles P-C4'-P energy: -96.056 tors. eta vs tors. theta energy: -183.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2043.334320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.334320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.334320 (E_RNA) where: Base-Base interactions energy: -1298.894 where: short stacking energy: -608.350 Base-Backbone interact. energy: -3.025 local terms energy: -741.415675 where: bonds (distance) C4'-P energy: -154.152 bonds (distance) P-C4' energy: -151.039 flat angles C4'-P-C4' energy: -157.215 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -167.583 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: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1886.300550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.300550 (E_RNA) where: Base-Base interactions energy: -1247.718 where: short stacking energy: -587.751 Base-Backbone interact. energy: 0.614 local terms energy: -639.196535 where: bonds (distance) C4'-P energy: -152.334 bonds (distance) P-C4' energy: -136.710 flat angles C4'-P-C4' energy: -138.868 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -126.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1640.917300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.917300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.917300 (E_RNA) where: Base-Base interactions energy: -1037.042 where: short stacking energy: -466.628 Base-Backbone interact. energy: -3.991 local terms energy: -599.884178 where: bonds (distance) C4'-P energy: -127.936 bonds (distance) P-C4' energy: -149.097 flat angles C4'-P-C4' energy: -131.441 flat angles P-C4'-P energy: -88.927 tors. eta vs tors. theta energy: -102.483 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: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1437.820912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.820912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.820912 (E_RNA) where: Base-Base interactions energy: -858.085 where: short stacking energy: -409.430 Base-Backbone interact. energy: -0.952 local terms energy: -578.784224 where: bonds (distance) C4'-P energy: -120.045 bonds (distance) P-C4' energy: -154.404 flat angles C4'-P-C4' energy: -139.970 flat angles P-C4'-P energy: -84.040 tors. eta vs tors. theta energy: -80.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -767.899820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.899820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.899820 (E_RNA) where: Base-Base interactions energy: -367.445 where: short stacking energy: -215.935 Base-Backbone interact. energy: 3.971 local terms energy: -404.425309 where: bonds (distance) C4'-P energy: -135.051 bonds (distance) P-C4' energy: -118.987 flat angles C4'-P-C4' energy: -108.170 flat angles P-C4'-P energy: -62.601 tors. eta vs tors. theta energy: 20.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -2872.341694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.341694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.341694 (E_RNA) where: Base-Base interactions energy: -1956.877 where: short stacking energy: -913.936 Base-Backbone interact. energy: -0.227 local terms energy: -915.237243 where: bonds (distance) C4'-P energy: -172.820 bonds (distance) P-C4' energy: -169.029 flat angles C4'-P-C4' energy: -196.429 flat angles P-C4'-P energy: -119.979 tors. eta vs tors. theta energy: -256.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2680.648290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.648290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.648290 (E_RNA) where: Base-Base interactions energy: -1840.802 where: short stacking energy: -791.269 Base-Backbone interact. energy: -4.457 local terms energy: -835.389905 where: bonds (distance) C4'-P energy: -161.110 bonds (distance) P-C4' energy: -151.604 flat angles C4'-P-C4' energy: -185.584 flat angles P-C4'-P energy: -108.875 tors. eta vs tors. theta energy: -228.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2608.023094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.023094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.023094 (E_RNA) where: Base-Base interactions energy: -1834.125 where: short stacking energy: -738.819 Base-Backbone interact. energy: -1.805 local terms energy: -772.093346 where: bonds (distance) C4'-P energy: -148.476 bonds (distance) P-C4' energy: -134.936 flat angles C4'-P-C4' energy: -170.687 flat angles P-C4'-P energy: -124.155 tors. eta vs tors. theta energy: -193.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2438.792124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.792124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.792124 (E_RNA) where: Base-Base interactions energy: -1725.912 where: short stacking energy: -754.344 Base-Backbone interact. energy: -0.505 local terms energy: -712.375497 where: bonds (distance) C4'-P energy: -120.825 bonds (distance) P-C4' energy: -134.212 flat angles C4'-P-C4' energy: -151.807 flat angles P-C4'-P energy: -114.005 tors. eta vs tors. theta energy: -191.527 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: 5, replica: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2207.134866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.134866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.134866 (E_RNA) where: Base-Base interactions energy: -1474.224 where: short stacking energy: -630.817 Base-Backbone interact. energy: -3.569 local terms energy: -729.341911 where: bonds (distance) C4'-P energy: -145.535 bonds (distance) P-C4' energy: -153.708 flat angles C4'-P-C4' energy: -157.215 flat angles P-C4'-P energy: -117.437 tors. eta vs tors. theta energy: -155.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2130.933582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.933582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.933582 (E_RNA) where: Base-Base interactions energy: -1419.001 where: short stacking energy: -643.545 Base-Backbone interact. energy: 7.205 local terms energy: -719.137699 where: bonds (distance) C4'-P energy: -122.059 bonds (distance) P-C4' energy: -165.841 flat angles C4'-P-C4' energy: -164.212 flat angles P-C4'-P energy: -97.857 tors. eta vs tors. theta energy: -169.168 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: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1837.959891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.959891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.959891 (E_RNA) where: Base-Base interactions energy: -1181.506 where: short stacking energy: -568.205 Base-Backbone interact. energy: -1.340 local terms energy: -655.113481 where: bonds (distance) C4'-P energy: -144.018 bonds (distance) P-C4' energy: -132.303 flat angles C4'-P-C4' energy: -145.948 flat angles P-C4'-P energy: -101.027 tors. eta vs tors. theta energy: -131.816 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: 2 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1571.881769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.881769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.881769 (E_RNA) where: Base-Base interactions energy: -988.809 where: short stacking energy: -455.301 Base-Backbone interact. energy: -3.942 local terms energy: -579.131013 where: bonds (distance) C4'-P energy: -127.069 bonds (distance) P-C4' energy: -144.120 flat angles C4'-P-C4' energy: -140.420 flat angles P-C4'-P energy: -102.670 tors. eta vs tors. theta energy: -64.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1450.874703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.874703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.874703 (E_RNA) where: Base-Base interactions energy: -910.673 where: short stacking energy: -412.368 Base-Backbone interact. energy: -1.532 local terms energy: -538.669654 where: bonds (distance) C4'-P energy: -135.626 bonds (distance) P-C4' energy: -122.592 flat angles C4'-P-C4' energy: -135.289 flat angles P-C4'-P energy: -80.081 tors. eta vs tors. theta energy: -65.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -812.741956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.741956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.741956 (E_RNA) where: Base-Base interactions energy: -393.361 where: short stacking energy: -217.011 Base-Backbone interact. energy: 0.011 local terms energy: -419.391232 where: bonds (distance) C4'-P energy: -129.235 bonds (distance) P-C4' energy: -128.005 flat angles C4'-P-C4' energy: -124.947 flat angles P-C4'-P energy: -58.912 tors. eta vs tors. theta energy: 21.707 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: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -2860.261721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.261721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.261721 (E_RNA) where: Base-Base interactions energy: -1938.677 where: short stacking energy: -884.863 Base-Backbone interact. energy: -2.320 local terms energy: -919.264105 where: bonds (distance) C4'-P energy: -178.470 bonds (distance) P-C4' energy: -170.346 flat angles C4'-P-C4' energy: -186.282 flat angles P-C4'-P energy: -138.683 tors. eta vs tors. theta energy: -245.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -2747.157188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.157188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.157188 (E_RNA) where: Base-Base interactions energy: -1910.909 where: short stacking energy: -825.846 Base-Backbone interact. energy: -1.609 local terms energy: -834.639945 where: bonds (distance) C4'-P energy: -146.228 bonds (distance) P-C4' energy: -162.620 flat angles C4'-P-C4' energy: -177.866 flat angles P-C4'-P energy: -124.724 tors. eta vs tors. theta energy: -223.203 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: 3, replica: 9 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2619.244332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.244332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.244332 (E_RNA) where: Base-Base interactions energy: -1838.687 where: short stacking energy: -761.907 Base-Backbone interact. energy: -1.317 local terms energy: -779.240365 where: bonds (distance) C4'-P energy: -150.420 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -178.100 flat angles P-C4'-P energy: -99.205 tors. eta vs tors. theta energy: -194.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2424.516119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.516119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.516119 (E_RNA) where: Base-Base interactions energy: -1634.868 where: short stacking energy: -756.283 Base-Backbone interact. energy: -3.975 local terms energy: -785.672441 where: bonds (distance) C4'-P energy: -149.313 bonds (distance) P-C4' energy: -154.978 flat angles C4'-P-C4' energy: -171.361 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -199.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2326.551860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.551860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.551860 (E_RNA) where: Base-Base interactions energy: -1567.390 where: short stacking energy: -679.584 Base-Backbone interact. energy: -5.312 local terms energy: -753.849454 where: bonds (distance) C4'-P energy: -150.230 bonds (distance) P-C4' energy: -145.297 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -115.947 tors. eta vs tors. theta energy: -188.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2147.926331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.926331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.926331 (E_RNA) where: Base-Base interactions energy: -1439.708 where: short stacking energy: -656.173 Base-Backbone interact. energy: 4.210 local terms energy: -712.428534 where: bonds (distance) C4'-P energy: -114.888 bonds (distance) P-C4' energy: -138.227 flat angles C4'-P-C4' energy: -172.609 flat angles P-C4'-P energy: -114.964 tors. eta vs tors. theta energy: -171.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1860.390157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.390157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.390157 (E_RNA) where: Base-Base interactions energy: -1231.727 where: short stacking energy: -567.815 Base-Backbone interact. energy: -1.632 local terms energy: -627.031826 where: bonds (distance) C4'-P energy: -107.191 bonds (distance) P-C4' energy: -137.953 flat angles C4'-P-C4' energy: -150.919 flat angles P-C4'-P energy: -101.762 tors. eta vs tors. theta energy: -129.206 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1595.487323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.487323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.487323 (E_RNA) where: Base-Base interactions energy: -1031.299 where: short stacking energy: -469.381 Base-Backbone interact. energy: -1.017 local terms energy: -563.171002 where: bonds (distance) C4'-P energy: -146.627 bonds (distance) P-C4' energy: -127.864 flat angles C4'-P-C4' energy: -142.963 flat angles P-C4'-P energy: -78.203 tors. eta vs tors. theta energy: -67.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1507.677564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.677564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.677564 (E_RNA) where: Base-Base interactions energy: -937.878 where: short stacking energy: -468.802 Base-Backbone interact. energy: 0.597 local terms energy: -570.396371 where: bonds (distance) C4'-P energy: -114.814 bonds (distance) P-C4' energy: -151.495 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -104.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -850.495022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.495022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.495022 (E_RNA) where: Base-Base interactions energy: -428.839 where: short stacking energy: -258.993 Base-Backbone interact. energy: -4.064 local terms energy: -417.591261 where: bonds (distance) C4'-P energy: -113.205 bonds (distance) P-C4' energy: -121.228 flat angles C4'-P-C4' energy: -121.002 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: 6.131 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: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -2881.118243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.118243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.118243 (E_RNA) where: Base-Base interactions energy: -1972.061 where: short stacking energy: -886.660 Base-Backbone interact. energy: -3.922 local terms energy: -905.135241 where: bonds (distance) C4'-P energy: -153.747 bonds (distance) P-C4' energy: -162.838 flat angles C4'-P-C4' energy: -190.501 flat angles P-C4'-P energy: -137.126 tors. eta vs tors. theta energy: -260.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -2750.350274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.350274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.350274 (E_RNA) where: Base-Base interactions energy: -1891.160 where: short stacking energy: -847.707 Base-Backbone interact. energy: 0.441 local terms energy: -859.632122 where: bonds (distance) C4'-P energy: -168.166 bonds (distance) P-C4' energy: -149.717 flat angles C4'-P-C4' energy: -178.777 flat angles P-C4'-P energy: -137.864 tors. eta vs tors. theta energy: -225.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2625.819170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.819170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.819170 (E_RNA) where: Base-Base interactions energy: -1839.811 where: short stacking energy: -735.310 Base-Backbone interact. energy: -0.104 local terms energy: -785.904258 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -149.563 flat angles C4'-P-C4' energy: -164.607 flat angles P-C4'-P energy: -125.709 tors. eta vs tors. theta energy: -190.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2465.378293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.378293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.378293 (E_RNA) where: Base-Base interactions energy: -1681.294 where: short stacking energy: -755.427 Base-Backbone interact. energy: 5.442 local terms energy: -789.526585 where: bonds (distance) C4'-P energy: -161.999 bonds (distance) P-C4' energy: -150.157 flat angles C4'-P-C4' energy: -170.354 flat angles P-C4'-P energy: -113.953 tors. eta vs tors. theta energy: -193.063 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: 6 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2307.012518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.012518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.012518 (E_RNA) where: Base-Base interactions energy: -1549.962 where: short stacking energy: -697.190 Base-Backbone interact. energy: -3.348 local terms energy: -753.702185 where: bonds (distance) C4'-P energy: -140.264 bonds (distance) P-C4' energy: -148.169 flat angles C4'-P-C4' energy: -168.580 flat angles P-C4'-P energy: -108.704 tors. eta vs tors. theta energy: -187.985 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: 6, replica: 3 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2035.685801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.685801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.685801 (E_RNA) where: Base-Base interactions energy: -1365.305 where: short stacking energy: -650.097 Base-Backbone interact. energy: -1.754 local terms energy: -668.626648 where: bonds (distance) C4'-P energy: -134.920 bonds (distance) P-C4' energy: -143.969 flat angles C4'-P-C4' energy: -136.326 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -156.378 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: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1776.169564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.169564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.169564 (E_RNA) where: Base-Base interactions energy: -1146.544 where: short stacking energy: -525.561 Base-Backbone interact. energy: 4.513 local terms energy: -634.137832 where: bonds (distance) C4'-P energy: -150.970 bonds (distance) P-C4' energy: -119.656 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -86.068 tors. eta vs tors. theta energy: -118.817 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: 2 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1625.171508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.171508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.171508 (E_RNA) where: Base-Base interactions energy: -1022.159 where: short stacking energy: -489.299 Base-Backbone interact. energy: -1.865 local terms energy: -601.147273 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -140.386 flat angles C4'-P-C4' energy: -137.120 flat angles P-C4'-P energy: -88.875 tors. eta vs tors. theta energy: -108.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1478.526674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.526674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.526674 (E_RNA) where: Base-Base interactions energy: -914.368 where: short stacking energy: -443.463 Base-Backbone interact. energy: -0.030 local terms energy: -564.128496 where: bonds (distance) C4'-P energy: -138.029 bonds (distance) P-C4' energy: -136.535 flat angles C4'-P-C4' energy: -128.614 flat angles P-C4'-P energy: -81.365 tors. eta vs tors. theta energy: -79.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -892.288115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.288115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.288115 (E_RNA) where: Base-Base interactions energy: -467.605 where: short stacking energy: -282.631 Base-Backbone interact. energy: 2.980 local terms energy: -427.663386 where: bonds (distance) C4'-P energy: -117.723 bonds (distance) P-C4' energy: -116.550 flat angles C4'-P-C4' energy: -107.068 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -27.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -2870.178431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.178431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.178431 (E_RNA) where: Base-Base interactions energy: -1950.035 where: short stacking energy: -899.335 Base-Backbone interact. energy: -4.811 local terms energy: -915.332960 where: bonds (distance) C4'-P energy: -169.882 bonds (distance) P-C4' energy: -175.673 flat angles C4'-P-C4' energy: -199.756 flat angles P-C4'-P energy: -120.053 tors. eta vs tors. theta energy: -249.969 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: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2723.453535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.453535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.453535 (E_RNA) where: Base-Base interactions energy: -1879.454 where: short stacking energy: -830.091 Base-Backbone interact. energy: -0.353 local terms energy: -843.646712 where: bonds (distance) C4'-P energy: -142.088 bonds (distance) P-C4' energy: -170.471 flat angles C4'-P-C4' energy: -175.933 flat angles P-C4'-P energy: -121.850 tors. eta vs tors. theta energy: -233.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2600.371497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.371497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.371497 (E_RNA) where: Base-Base interactions energy: -1804.885 where: short stacking energy: -761.791 Base-Backbone interact. energy: -4.200 local terms energy: -791.286964 where: bonds (distance) C4'-P energy: -168.777 bonds (distance) P-C4' energy: -145.869 flat angles C4'-P-C4' energy: -172.782 flat angles P-C4'-P energy: -113.219 tors. eta vs tors. theta energy: -190.640 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: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2419.001244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.001244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.001244 (E_RNA) where: Base-Base interactions energy: -1671.619 where: short stacking energy: -710.160 Base-Backbone interact. energy: 1.525 local terms energy: -748.906597 where: bonds (distance) C4'-P energy: -141.399 bonds (distance) P-C4' energy: -144.334 flat angles C4'-P-C4' energy: -176.661 flat angles P-C4'-P energy: -116.388 tors. eta vs tors. theta energy: -170.124 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: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2228.753757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.753757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.753757 (E_RNA) where: Base-Base interactions energy: -1506.731 where: short stacking energy: -655.091 Base-Backbone interact. energy: 1.136 local terms energy: -723.158776 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -158.855 flat angles C4'-P-C4' energy: -156.976 flat angles P-C4'-P energy: -92.213 tors. eta vs tors. theta energy: -169.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2001.268119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.268119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.268119 (E_RNA) where: Base-Base interactions energy: -1322.475 where: short stacking energy: -611.763 Base-Backbone interact. energy: -3.274 local terms energy: -675.518844 where: bonds (distance) C4'-P energy: -137.957 bonds (distance) P-C4' energy: -151.857 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -97.349 tors. eta vs tors. theta energy: -149.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1807.239939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.239939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.239939 (E_RNA) where: Base-Base interactions energy: -1160.437 where: short stacking energy: -536.285 Base-Backbone interact. energy: -1.437 local terms energy: -645.365774 where: bonds (distance) C4'-P energy: -125.068 bonds (distance) P-C4' energy: -160.079 flat angles C4'-P-C4' energy: -158.935 flat angles P-C4'-P energy: -84.129 tors. eta vs tors. theta energy: -117.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1695.535912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.535912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.535912 (E_RNA) where: Base-Base interactions energy: -1072.290 where: short stacking energy: -510.734 Base-Backbone interact. energy: -1.602 local terms energy: -621.643683 where: bonds (distance) C4'-P energy: -148.496 bonds (distance) P-C4' energy: -129.618 flat angles C4'-P-C4' energy: -149.486 flat angles P-C4'-P energy: -81.038 tors. eta vs tors. theta energy: -113.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1546.566611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.566611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.566611 (E_RNA) where: Base-Base interactions energy: -1000.685 where: short stacking energy: -440.756 Base-Backbone interact. energy: -2.563 local terms energy: -543.319202 where: bonds (distance) C4'-P energy: -107.897 bonds (distance) P-C4' energy: -144.741 flat angles C4'-P-C4' energy: -154.665 flat angles P-C4'-P energy: -67.103 tors. eta vs tors. theta energy: -68.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -838.168054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.168054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.168054 (E_RNA) where: Base-Base interactions energy: -446.792 where: short stacking energy: -287.550 Base-Backbone interact. energy: -2.059 local terms energy: -389.317270 where: bonds (distance) C4'-P energy: -126.017 bonds (distance) P-C4' energy: -133.423 flat angles C4'-P-C4' energy: -88.188 flat angles P-C4'-P energy: -60.961 tors. eta vs tors. theta energy: 19.271 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: 123 Temperature: 0.900000 Total energy: -2874.033470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.033470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.033470 (E_RNA) where: Base-Base interactions energy: -1951.302 where: short stacking energy: -907.652 Base-Backbone interact. energy: -1.924 local terms energy: -920.807544 where: bonds (distance) C4'-P energy: -160.325 bonds (distance) P-C4' energy: -164.517 flat angles C4'-P-C4' energy: -194.240 flat angles P-C4'-P energy: -149.646 tors. eta vs tors. theta energy: -252.080 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: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2700.218534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.218534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.218534 (E_RNA) where: Base-Base interactions energy: -1818.132 where: short stacking energy: -801.057 Base-Backbone interact. energy: -1.490 local terms energy: -880.596084 where: bonds (distance) C4'-P energy: -170.173 bonds (distance) P-C4' energy: -164.005 flat angles C4'-P-C4' energy: -179.819 flat angles P-C4'-P energy: -142.021 tors. eta vs tors. theta energy: -224.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2597.196387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.196387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.196387 (E_RNA) where: Base-Base interactions energy: -1799.866 where: short stacking energy: -712.550 Base-Backbone interact. energy: -0.178 local terms energy: -797.152036 where: bonds (distance) C4'-P energy: -143.342 bonds (distance) P-C4' energy: -178.592 flat angles C4'-P-C4' energy: -175.238 flat angles P-C4'-P energy: -111.510 tors. eta vs tors. theta energy: -188.470 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: 4 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2393.398605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.398605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.398605 (E_RNA) where: Base-Base interactions energy: -1656.912 where: short stacking energy: -723.780 Base-Backbone interact. energy: -1.656 local terms energy: -734.830435 where: bonds (distance) C4'-P energy: -134.511 bonds (distance) P-C4' energy: -145.402 flat angles C4'-P-C4' energy: -168.860 flat angles P-C4'-P energy: -108.827 tors. eta vs tors. theta energy: -177.230 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: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2192.468875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.468875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.468875 (E_RNA) where: Base-Base interactions energy: -1487.667 where: short stacking energy: -649.181 Base-Backbone interact. energy: 1.190 local terms energy: -705.991502 where: bonds (distance) C4'-P energy: -142.137 bonds (distance) P-C4' energy: -160.456 flat angles C4'-P-C4' energy: -157.355 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -148.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2007.983467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.983467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.983467 (E_RNA) where: Base-Base interactions energy: -1302.375 where: short stacking energy: -591.307 Base-Backbone interact. energy: -1.502 local terms energy: -704.106410 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -142.450 flat angles C4'-P-C4' energy: -162.989 flat angles P-C4'-P energy: -97.276 tors. eta vs tors. theta energy: -153.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1729.795697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.795697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.795697 (E_RNA) where: Base-Base interactions energy: -1098.691 where: short stacking energy: -502.591 Base-Backbone interact. energy: -2.754 local terms energy: -628.350445 where: bonds (distance) C4'-P energy: -133.296 bonds (distance) P-C4' energy: -149.372 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -75.761 tors. eta vs tors. theta energy: -112.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1681.769548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.769548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.769548 (E_RNA) where: Base-Base interactions energy: -1083.373 where: short stacking energy: -505.367 Base-Backbone interact. energy: -1.061 local terms energy: -597.335870 where: bonds (distance) C4'-P energy: -133.814 bonds (distance) P-C4' energy: -126.209 flat angles C4'-P-C4' energy: -145.513 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -115.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1514.778003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.778003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.778003 (E_RNA) where: Base-Base interactions energy: -960.688 where: short stacking energy: -438.522 Base-Backbone interact. energy: -4.762 local terms energy: -549.328271 where: bonds (distance) C4'-P energy: -132.758 bonds (distance) P-C4' energy: -131.847 flat angles C4'-P-C4' energy: -134.541 flat angles P-C4'-P energy: -77.233 tors. eta vs tors. theta energy: -72.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -861.211476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.211476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.211476 (E_RNA) where: Base-Base interactions energy: -399.305 where: short stacking energy: -238.349 Base-Backbone interact. energy: -2.595 local terms energy: -459.311449 where: bonds (distance) C4'-P energy: -137.206 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -128.061 flat angles P-C4'-P energy: -53.986 tors. eta vs tors. theta energy: 7.681 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: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -2894.388850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.388850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.388850 (E_RNA) where: Base-Base interactions energy: -2015.114 where: short stacking energy: -913.853 Base-Backbone interact. energy: -5.658 local terms energy: -873.616842 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -159.904 flat angles C4'-P-C4' energy: -185.956 flat angles P-C4'-P energy: -118.915 tors. eta vs tors. theta energy: -256.877 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: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -2667.343908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.343908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.343908 (E_RNA) where: Base-Base interactions energy: -1828.638 where: short stacking energy: -798.850 Base-Backbone interact. energy: -1.926 local terms energy: -836.779738 where: bonds (distance) C4'-P energy: -167.752 bonds (distance) P-C4' energy: -161.091 flat angles C4'-P-C4' energy: -175.212 flat angles P-C4'-P energy: -115.657 tors. eta vs tors. theta energy: -217.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2578.224841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.224841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.224841 (E_RNA) where: Base-Base interactions energy: -1773.436 where: short stacking energy: -722.319 Base-Backbone interact. energy: -4.786 local terms energy: -800.003001 where: bonds (distance) C4'-P energy: -152.227 bonds (distance) P-C4' energy: -152.406 flat angles C4'-P-C4' energy: -184.837 flat angles P-C4'-P energy: -126.840 tors. eta vs tors. theta energy: -183.694 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: 4, replica: 4 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2428.537491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.537491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.537491 (E_RNA) where: Base-Base interactions energy: -1654.327 where: short stacking energy: -756.467 Base-Backbone interact. energy: -1.349 local terms energy: -772.861421 where: bonds (distance) C4'-P energy: -149.081 bonds (distance) P-C4' energy: -142.510 flat angles C4'-P-C4' energy: -178.275 flat angles P-C4'-P energy: -104.940 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: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2200.228883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.228883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.228883 (E_RNA) where: Base-Base interactions energy: -1481.213 where: short stacking energy: -674.029 Base-Backbone interact. energy: -0.757 local terms energy: -718.258880 where: bonds (distance) C4'-P energy: -142.817 bonds (distance) P-C4' energy: -153.039 flat angles C4'-P-C4' energy: -151.839 flat angles P-C4'-P energy: -103.093 tors. eta vs tors. theta energy: -167.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2010.993284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.993284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.993284 (E_RNA) where: Base-Base interactions energy: -1313.160 where: short stacking energy: -603.333 Base-Backbone interact. energy: -1.827 local terms energy: -696.006142 where: bonds (distance) C4'-P energy: -126.221 bonds (distance) P-C4' energy: -161.166 flat angles C4'-P-C4' energy: -151.929 flat angles P-C4'-P energy: -93.971 tors. eta vs tors. theta energy: -162.720 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: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1806.597164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.597164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.597164 (E_RNA) where: Base-Base interactions energy: -1151.732 where: short stacking energy: -541.778 Base-Backbone interact. energy: -2.685 local terms energy: -652.180555 where: bonds (distance) C4'-P energy: -147.100 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -165.882 flat angles P-C4'-P energy: -74.857 tors. eta vs tors. theta energy: -109.780 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: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1615.484867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.484867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.484867 (E_RNA) where: Base-Base interactions energy: -1027.877 where: short stacking energy: -473.540 Base-Backbone interact. energy: 1.576 local terms energy: -589.184628 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -151.637 flat angles C4'-P-C4' energy: -125.984 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -105.886 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: 9, replica: 10 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1491.561911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.561911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.561911 (E_RNA) where: Base-Base interactions energy: -942.301 where: short stacking energy: -439.450 Base-Backbone interact. energy: 1.743 local terms energy: -551.003822 where: bonds (distance) C4'-P energy: -117.445 bonds (distance) P-C4' energy: -119.093 flat angles C4'-P-C4' energy: -132.563 flat angles P-C4'-P energy: -87.709 tors. eta vs tors. theta energy: -94.193 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: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -844.040773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.040773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.040773 (E_RNA) where: Base-Base interactions energy: -411.860 where: short stacking energy: -230.929 Base-Backbone interact. energy: -0.298 local terms energy: -431.883396 where: bonds (distance) C4'-P energy: -121.949 bonds (distance) P-C4' energy: -134.387 flat angles C4'-P-C4' energy: -125.728 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: 9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -2874.839728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.839728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.839728 (E_RNA) where: Base-Base interactions energy: -1973.987 where: short stacking energy: -912.633 Base-Backbone interact. energy: -1.878 local terms energy: -898.974732 where: bonds (distance) C4'-P energy: -152.908 bonds (distance) P-C4' energy: -177.394 flat angles C4'-P-C4' energy: -190.393 flat angles P-C4'-P energy: -127.618 tors. eta vs tors. theta energy: -250.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -2710.227948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.227948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.227948 (E_RNA) where: Base-Base interactions energy: -1866.077 where: short stacking energy: -810.646 Base-Backbone interact. energy: -4.789 local terms energy: -839.361639 where: bonds (distance) C4'-P energy: -143.149 bonds (distance) P-C4' energy: -173.990 flat angles C4'-P-C4' energy: -166.043 flat angles P-C4'-P energy: -128.902 tors. eta vs tors. theta energy: -227.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2569.942966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.942966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.942966 (E_RNA) where: Base-Base interactions energy: -1787.692 where: short stacking energy: -710.237 Base-Backbone interact. energy: -4.964 local terms energy: -777.287460 where: bonds (distance) C4'-P energy: -157.237 bonds (distance) P-C4' energy: -156.363 flat angles C4'-P-C4' energy: -176.247 flat angles P-C4'-P energy: -100.586 tors. eta vs tors. theta energy: -186.855 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: 4 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2455.639717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.639717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.639717 (E_RNA) where: Base-Base interactions energy: -1683.289 where: short stacking energy: -726.980 Base-Backbone interact. energy: -4.245 local terms energy: -768.105599 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -162.667 flat angles C4'-P-C4' energy: -179.507 flat angles P-C4'-P energy: -91.471 tors. eta vs tors. theta energy: -182.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2244.865931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2244.865931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2244.865931 (E_RNA) where: Base-Base interactions energy: -1521.083 where: short stacking energy: -673.978 Base-Backbone interact. energy: -0.765 local terms energy: -723.017948 where: bonds (distance) C4'-P energy: -147.142 bonds (distance) P-C4' energy: -149.421 flat angles C4'-P-C4' energy: -162.690 flat angles P-C4'-P energy: -103.020 tors. eta vs tors. theta energy: -160.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1996.229645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.229645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.229645 (E_RNA) where: Base-Base interactions energy: -1291.845 where: short stacking energy: -588.279 Base-Backbone interact. energy: -1.555 local terms energy: -702.829732 where: bonds (distance) C4'-P energy: -166.010 bonds (distance) P-C4' energy: -134.449 flat angles C4'-P-C4' energy: -165.871 flat angles P-C4'-P energy: -95.267 tors. eta vs tors. theta energy: -141.233 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: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1851.419841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.419841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.419841 (E_RNA) where: Base-Base interactions energy: -1173.671 where: short stacking energy: -583.881 Base-Backbone interact. energy: -3.706 local terms energy: -674.043306 where: bonds (distance) C4'-P energy: -131.920 bonds (distance) P-C4' energy: -138.141 flat angles C4'-P-C4' energy: -158.259 flat angles P-C4'-P energy: -97.744 tors. eta vs tors. theta energy: -147.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1604.910360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.910360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.910360 (E_RNA) where: Base-Base interactions energy: -1015.683 where: short stacking energy: -448.102 Base-Backbone interact. energy: 0.050 local terms energy: -589.276585 where: bonds (distance) C4'-P energy: -136.845 bonds (distance) P-C4' energy: -140.240 flat angles C4'-P-C4' energy: -135.254 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -91.276 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: 10 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1421.527914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.527914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.527914 (E_RNA) where: Base-Base interactions energy: -885.222 where: short stacking energy: -422.575 Base-Backbone interact. energy: 2.148 local terms energy: -538.454373 where: bonds (distance) C4'-P energy: -119.527 bonds (distance) P-C4' energy: -139.355 flat angles C4'-P-C4' energy: -122.262 flat angles P-C4'-P energy: -70.173 tors. eta vs tors. theta energy: -87.137 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: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -906.602241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.602241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.602241 (E_RNA) where: Base-Base interactions energy: -451.973 where: short stacking energy: -274.234 Base-Backbone interact. energy: 4.248 local terms energy: -458.877249 where: bonds (distance) C4'-P energy: -126.593 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -121.541 flat angles P-C4'-P energy: -77.967 tors. eta vs tors. theta energy: 3.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -2893.328054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.328054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.328054 (E_RNA) where: Base-Base interactions energy: -1978.595 where: short stacking energy: -923.654 Base-Backbone interact. energy: -3.594 local terms energy: -911.138284 where: bonds (distance) C4'-P energy: -166.362 bonds (distance) P-C4' energy: -165.389 flat angles C4'-P-C4' energy: -196.614 flat angles P-C4'-P energy: -130.876 tors. eta vs tors. theta energy: -251.898 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: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -2715.971311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.971311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.971311 (E_RNA) where: Base-Base interactions energy: -1862.988 where: short stacking energy: -830.323 Base-Backbone interact. energy: -2.782 local terms energy: -850.200576 where: bonds (distance) C4'-P energy: -131.965 bonds (distance) P-C4' energy: -166.466 flat angles C4'-P-C4' energy: -181.556 flat angles P-C4'-P energy: -138.791 tors. eta vs tors. theta energy: -231.422 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: 9 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2555.527762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.527762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.527762 (E_RNA) where: Base-Base interactions energy: -1817.227 where: short stacking energy: -744.329 Base-Backbone interact. energy: -1.790 local terms energy: -736.510650 where: bonds (distance) C4'-P energy: -156.344 bonds (distance) P-C4' energy: -151.603 flat angles C4'-P-C4' energy: -155.822 flat angles P-C4'-P energy: -109.958 tors. eta vs tors. theta energy: -162.784 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: 4 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2413.561670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.561670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.561670 (E_RNA) where: Base-Base interactions energy: -1660.769 where: short stacking energy: -718.816 Base-Backbone interact. energy: 0.709 local terms energy: -753.501607 where: bonds (distance) C4'-P energy: -151.520 bonds (distance) P-C4' energy: -153.572 flat angles C4'-P-C4' energy: -155.805 flat angles P-C4'-P energy: -111.886 tors. eta vs tors. theta energy: -180.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2220.649997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.649997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.649997 (E_RNA) where: Base-Base interactions energy: -1494.105 where: short stacking energy: -674.031 Base-Backbone interact. energy: 3.843 local terms energy: -730.387687 where: bonds (distance) C4'-P energy: -152.622 bonds (distance) P-C4' energy: -167.110 flat angles C4'-P-C4' energy: -158.812 flat angles P-C4'-P energy: -86.583 tors. eta vs tors. theta energy: -165.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2028.586261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.586261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.586261 (E_RNA) where: Base-Base interactions energy: -1320.629 where: short stacking energy: -626.426 Base-Backbone interact. energy: 1.241 local terms energy: -709.198745 where: bonds (distance) C4'-P energy: -134.693 bonds (distance) P-C4' energy: -164.225 flat angles C4'-P-C4' energy: -149.524 flat angles P-C4'-P energy: -100.464 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: 7, replica: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1794.986264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.986264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.986264 (E_RNA) where: Base-Base interactions energy: -1156.603 where: short stacking energy: -518.727 Base-Backbone interact. energy: -3.254 local terms energy: -635.129615 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -151.265 flat angles C4'-P-C4' energy: -152.017 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -103.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1600.299009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.299009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.299009 (E_RNA) where: Base-Base interactions energy: -1009.903 where: short stacking energy: -470.184 Base-Backbone interact. energy: -2.474 local terms energy: -587.922089 where: bonds (distance) C4'-P energy: -130.457 bonds (distance) P-C4' energy: -145.560 flat angles C4'-P-C4' energy: -119.160 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -77.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1505.797086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.797086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.797086 (E_RNA) where: Base-Base interactions energy: -933.549 where: short stacking energy: -439.850 Base-Backbone interact. energy: -1.733 local terms energy: -570.515300 where: bonds (distance) C4'-P energy: -158.555 bonds (distance) P-C4' energy: -130.633 flat angles C4'-P-C4' energy: -133.048 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -81.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -808.254440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.254440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.254440 (E_RNA) where: Base-Base interactions energy: -411.807 where: short stacking energy: -247.838 Base-Backbone interact. energy: 9.102 local terms energy: -405.550102 where: bonds (distance) C4'-P energy: -130.085 bonds (distance) P-C4' energy: -126.797 flat angles C4'-P-C4' energy: -132.134 flat angles P-C4'-P energy: -47.200 tors. eta vs tors. theta energy: 30.666 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: 127 Temperature: 0.900000 Total energy: -2859.200655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.200655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.200655 (E_RNA) where: Base-Base interactions energy: -1963.420 where: short stacking energy: -907.289 Base-Backbone interact. energy: 1.312 local terms energy: -897.092688 where: bonds (distance) C4'-P energy: -172.296 bonds (distance) P-C4' energy: -147.397 flat angles C4'-P-C4' energy: -198.146 flat angles P-C4'-P energy: -123.910 tors. eta vs tors. theta energy: -255.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2709.850895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.850895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.850895 (E_RNA) where: Base-Base interactions energy: -1866.148 where: short stacking energy: -801.091 Base-Backbone interact. energy: -6.684 local terms energy: -837.018312 where: bonds (distance) C4'-P energy: -177.562 bonds (distance) P-C4' energy: -147.631 flat angles C4'-P-C4' energy: -179.873 flat angles P-C4'-P energy: -119.161 tors. eta vs tors. theta energy: -212.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2551.700734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.700734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.700734 (E_RNA) where: Base-Base interactions energy: -1785.149 where: short stacking energy: -685.920 Base-Backbone interact. energy: -0.265 local terms energy: -766.286871 where: bonds (distance) C4'-P energy: -159.653 bonds (distance) P-C4' energy: -159.077 flat angles C4'-P-C4' energy: -169.945 flat angles P-C4'-P energy: -100.304 tors. eta vs tors. theta energy: -177.308 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: 127 Temperature: 1.050000 Total energy: -2462.685415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.685415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.685415 (E_RNA) where: Base-Base interactions energy: -1647.872 where: short stacking energy: -758.524 Base-Backbone interact. energy: -4.102 local terms energy: -810.711448 where: bonds (distance) C4'-P energy: -148.091 bonds (distance) P-C4' energy: -159.551 flat angles C4'-P-C4' energy: -179.685 flat angles P-C4'-P energy: -112.005 tors. eta vs tors. theta energy: -211.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2217.009778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.009778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.009778 (E_RNA) where: Base-Base interactions energy: -1495.959 where: short stacking energy: -671.030 Base-Backbone interact. energy: -4.308 local terms energy: -716.742995 where: bonds (distance) C4'-P energy: -146.394 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -146.967 flat angles P-C4'-P energy: -103.746 tors. eta vs tors. theta energy: -171.018 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: 6, replica: 3 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2051.762152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.762152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.762152 (E_RNA) where: Base-Base interactions energy: -1322.620 where: short stacking energy: -623.143 Base-Backbone interact. energy: -2.045 local terms energy: -727.097537 where: bonds (distance) C4'-P energy: -140.038 bonds (distance) P-C4' energy: -155.115 flat angles C4'-P-C4' energy: -160.796 flat angles P-C4'-P energy: -102.506 tors. eta vs tors. theta energy: -168.642 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: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1875.140576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.140576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.140576 (E_RNA) where: Base-Base interactions energy: -1235.239 where: short stacking energy: -560.257 Base-Backbone interact. energy: 1.163 local terms energy: -641.063803 where: bonds (distance) C4'-P energy: -141.709 bonds (distance) P-C4' energy: -129.815 flat angles C4'-P-C4' energy: -139.662 flat angles P-C4'-P energy: -103.113 tors. eta vs tors. theta energy: -126.765 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: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1589.840481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.840481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.840481 (E_RNA) where: Base-Base interactions energy: -1014.522 where: short stacking energy: -466.122 Base-Backbone interact. energy: -1.554 local terms energy: -573.764239 where: bonds (distance) C4'-P energy: -133.791 bonds (distance) P-C4' energy: -130.992 flat angles C4'-P-C4' energy: -138.986 flat angles P-C4'-P energy: -84.228 tors. eta vs tors. theta energy: -85.767 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: 127 Temperature: 1.300000 Total energy: -1526.997929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.997929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.997929 (E_RNA) where: Base-Base interactions energy: -974.828 where: short stacking energy: -461.938 Base-Backbone interact. energy: 4.565 local terms energy: -556.734537 where: bonds (distance) C4'-P energy: -122.102 bonds (distance) P-C4' energy: -151.667 flat angles C4'-P-C4' energy: -120.798 flat angles P-C4'-P energy: -80.193 tors. eta vs tors. theta energy: -81.974 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: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -861.527369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.527369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.527369 (E_RNA) where: Base-Base interactions energy: -425.433 where: short stacking energy: -255.902 Base-Backbone interact. energy: 3.179 local terms energy: -439.273140 where: bonds (distance) C4'-P energy: -118.033 bonds (distance) P-C4' energy: -140.365 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -59.559 tors. eta vs tors. theta energy: -11.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -2848.113972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.113972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.113972 (E_RNA) where: Base-Base interactions energy: -1961.727 where: short stacking energy: -872.955 Base-Backbone interact. energy: -0.262 local terms energy: -886.124620 where: bonds (distance) C4'-P energy: -161.362 bonds (distance) P-C4' energy: -169.080 flat angles C4'-P-C4' energy: -169.736 flat angles P-C4'-P energy: -138.320 tors. eta vs tors. theta energy: -247.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2688.050998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.050998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.050998 (E_RNA) where: Base-Base interactions energy: -1828.036 where: short stacking energy: -809.611 Base-Backbone interact. energy: -2.998 local terms energy: -857.016443 where: bonds (distance) C4'-P energy: -175.897 bonds (distance) P-C4' energy: -171.394 flat angles C4'-P-C4' energy: -176.736 flat angles P-C4'-P energy: -108.849 tors. eta vs tors. theta energy: -224.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2585.788509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.788509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.788509 (E_RNA) where: Base-Base interactions energy: -1838.449 where: short stacking energy: -742.102 Base-Backbone interact. energy: -6.200 local terms energy: -741.139848 where: bonds (distance) C4'-P energy: -141.994 bonds (distance) P-C4' energy: -146.304 flat angles C4'-P-C4' energy: -169.766 flat angles P-C4'-P energy: -109.361 tors. eta vs tors. theta energy: -173.716 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: 4, replica: 4 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2440.163625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.163625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.163625 (E_RNA) where: Base-Base interactions energy: -1665.379 where: short stacking energy: -732.774 Base-Backbone interact. energy: 1.022 local terms energy: -775.806528 where: bonds (distance) C4'-P energy: -159.882 bonds (distance) P-C4' energy: -162.739 flat angles C4'-P-C4' energy: -166.886 flat angles P-C4'-P energy: -98.758 tors. eta vs tors. theta energy: -187.541 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: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2217.621837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.621837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.621837 (E_RNA) where: Base-Base interactions energy: -1465.846 where: short stacking energy: -636.682 Base-Backbone interact. energy: 2.627 local terms energy: -754.402560 where: bonds (distance) C4'-P energy: -157.345 bonds (distance) P-C4' energy: -157.270 flat angles C4'-P-C4' energy: -159.164 flat angles P-C4'-P energy: -110.341 tors. eta vs tors. theta energy: -170.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2109.533254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.533254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.533254 (E_RNA) where: Base-Base interactions energy: -1384.608 where: short stacking energy: -628.272 Base-Backbone interact. energy: 0.345 local terms energy: -725.269866 where: bonds (distance) C4'-P energy: -150.450 bonds (distance) P-C4' energy: -144.040 flat angles C4'-P-C4' energy: -157.212 flat angles P-C4'-P energy: -105.518 tors. eta vs tors. theta energy: -168.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1908.780327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.780327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.780327 (E_RNA) where: Base-Base interactions energy: -1253.901 where: short stacking energy: -572.001 Base-Backbone interact. energy: 0.300 local terms energy: -655.179853 where: bonds (distance) C4'-P energy: -146.391 bonds (distance) P-C4' energy: -135.332 flat angles C4'-P-C4' energy: -134.712 flat angles P-C4'-P energy: -88.031 tors. eta vs tors. theta energy: -150.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1601.410545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.410545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.410545 (E_RNA) where: Base-Base interactions energy: -1025.586 where: short stacking energy: -499.527 Base-Backbone interact. energy: 4.261 local terms energy: -580.085384 where: bonds (distance) C4'-P energy: -124.720 bonds (distance) P-C4' energy: -139.907 flat angles C4'-P-C4' energy: -124.123 flat angles P-C4'-P energy: -99.310 tors. eta vs tors. theta energy: -92.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1557.213670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.213670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.213670 (E_RNA) where: Base-Base interactions energy: -1004.923 where: short stacking energy: -446.981 Base-Backbone interact. energy: -1.760 local terms energy: -550.530960 where: bonds (distance) C4'-P energy: -118.226 bonds (distance) P-C4' energy: -143.973 flat angles C4'-P-C4' energy: -122.812 flat angles P-C4'-P energy: -90.460 tors. eta vs tors. theta energy: -75.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -892.540895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.540895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.540895 (E_RNA) where: Base-Base interactions energy: -463.283 where: short stacking energy: -273.239 Base-Backbone interact. energy: 4.359 local terms energy: -433.617085 where: bonds (distance) C4'-P energy: -124.119 bonds (distance) P-C4' energy: -126.533 flat angles C4'-P-C4' energy: -115.343 flat angles P-C4'-P energy: -69.965 tors. eta vs tors. theta energy: 2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -2853.778527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.778527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.778527 (E_RNA) where: Base-Base interactions energy: -1942.896 where: short stacking energy: -899.325 Base-Backbone interact. energy: -3.244 local terms energy: -907.638726 where: bonds (distance) C4'-P energy: -164.038 bonds (distance) P-C4' energy: -166.919 flat angles C4'-P-C4' energy: -192.632 flat angles P-C4'-P energy: -130.057 tors. eta vs tors. theta energy: -253.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -2696.594597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.594597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.594597 (E_RNA) where: Base-Base interactions energy: -1865.434 where: short stacking energy: -801.912 Base-Backbone interact. energy: -4.114 local terms energy: -827.046752 where: bonds (distance) C4'-P energy: -163.518 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -165.778 flat angles P-C4'-P energy: -122.467 tors. eta vs tors. theta energy: -222.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2594.136349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.136349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.136349 (E_RNA) where: Base-Base interactions energy: -1802.917 where: short stacking energy: -716.439 Base-Backbone interact. energy: 0.697 local terms energy: -791.916358 where: bonds (distance) C4'-P energy: -161.728 bonds (distance) P-C4' energy: -157.743 flat angles C4'-P-C4' energy: -178.973 flat angles P-C4'-P energy: -114.805 tors. eta vs tors. theta energy: -178.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2437.561405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.561405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.561405 (E_RNA) where: Base-Base interactions energy: -1670.837 where: short stacking energy: -763.632 Base-Backbone interact. energy: 6.853 local terms energy: -773.577633 where: bonds (distance) C4'-P energy: -153.191 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -179.516 flat angles P-C4'-P energy: -107.178 tors. eta vs tors. theta energy: -192.193 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: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2258.110278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.110278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.110278 (E_RNA) where: Base-Base interactions energy: -1503.323 where: short stacking energy: -660.758 Base-Backbone interact. energy: 3.659 local terms energy: -758.446817 where: bonds (distance) C4'-P energy: -155.723 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -162.930 flat angles P-C4'-P energy: -104.495 tors. eta vs tors. theta energy: -186.347 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: 3 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2170.570583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.570583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.570583 (E_RNA) where: Base-Base interactions energy: -1429.880 where: short stacking energy: -659.012 Base-Backbone interact. energy: -2.487 local terms energy: -738.203762 where: bonds (distance) C4'-P energy: -141.220 bonds (distance) P-C4' energy: -147.610 flat angles C4'-P-C4' energy: -169.304 flat angles P-C4'-P energy: -100.923 tors. eta vs tors. theta energy: -179.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1885.989660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.989660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.989660 (E_RNA) where: Base-Base interactions energy: -1237.276 where: short stacking energy: -590.453 Base-Backbone interact. energy: 2.358 local terms energy: -651.071763 where: bonds (distance) C4'-P energy: -112.796 bonds (distance) P-C4' energy: -153.555 flat angles C4'-P-C4' energy: -146.937 flat angles P-C4'-P energy: -97.504 tors. eta vs tors. theta energy: -140.280 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: 129 Temperature: 1.250000 Total energy: -1619.596261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.596261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.596261 (E_RNA) where: Base-Base interactions energy: -1056.902 where: short stacking energy: -468.318 Base-Backbone interact. energy: 4.468 local terms energy: -567.161972 where: bonds (distance) C4'-P energy: -125.503 bonds (distance) P-C4' energy: -122.136 flat angles C4'-P-C4' energy: -148.194 flat angles P-C4'-P energy: -93.980 tors. eta vs tors. theta energy: -77.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1469.946207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.946207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.946207 (E_RNA) where: Base-Base interactions energy: -964.405 where: short stacking energy: -441.848 Base-Backbone interact. energy: 4.166 local terms energy: -509.706501 where: bonds (distance) C4'-P energy: -114.329 bonds (distance) P-C4' energy: -112.706 flat angles C4'-P-C4' energy: -131.518 flat angles P-C4'-P energy: -90.214 tors. eta vs tors. theta energy: -60.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -882.074883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.074883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.074883 (E_RNA) where: Base-Base interactions energy: -416.339 where: short stacking energy: -244.221 Base-Backbone interact. energy: 1.651 local terms energy: -467.387411 where: bonds (distance) C4'-P energy: -129.672 bonds (distance) P-C4' energy: -143.471 flat angles C4'-P-C4' energy: -108.735 flat angles P-C4'-P energy: -86.243 tors. eta vs tors. theta energy: 0.734 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: 130 Temperature: 0.900000 Total energy: -2817.662816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.662816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.662816 (E_RNA) where: Base-Base interactions energy: -1916.373 where: short stacking energy: -865.709 Base-Backbone interact. energy: -1.125 local terms energy: -900.164909 where: bonds (distance) C4'-P energy: -154.537 bonds (distance) P-C4' energy: -177.920 flat angles C4'-P-C4' energy: -192.462 flat angles P-C4'-P energy: -127.932 tors. eta vs tors. theta energy: -247.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -2680.286951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.286951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.286951 (E_RNA) where: Base-Base interactions energy: -1828.654 where: short stacking energy: -771.202 Base-Backbone interact. energy: -2.766 local terms energy: -848.867281 where: bonds (distance) C4'-P energy: -145.503 bonds (distance) P-C4' energy: -189.369 flat angles C4'-P-C4' energy: -180.582 flat angles P-C4'-P energy: -126.282 tors. eta vs tors. theta energy: -207.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2585.821866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.821866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.821866 (E_RNA) where: Base-Base interactions energy: -1818.144 where: short stacking energy: -738.215 Base-Backbone interact. energy: -3.075 local terms energy: -764.602503 where: bonds (distance) C4'-P energy: -148.625 bonds (distance) P-C4' energy: -136.934 flat angles C4'-P-C4' energy: -173.539 flat angles P-C4'-P energy: -118.565 tors. eta vs tors. theta energy: -186.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2413.117795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.117795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.117795 (E_RNA) where: Base-Base interactions energy: -1646.665 where: short stacking energy: -725.124 Base-Backbone interact. energy: -3.373 local terms energy: -763.079675 where: bonds (distance) C4'-P energy: -139.991 bonds (distance) P-C4' energy: -157.114 flat angles C4'-P-C4' energy: -167.535 flat angles P-C4'-P energy: -115.836 tors. eta vs tors. theta energy: -182.603 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: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2249.693458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.693458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.693458 (E_RNA) where: Base-Base interactions energy: -1497.149 where: short stacking energy: -680.630 Base-Backbone interact. energy: -0.321 local terms energy: -752.223621 where: bonds (distance) C4'-P energy: -158.576 bonds (distance) P-C4' energy: -153.208 flat angles C4'-P-C4' energy: -156.811 flat angles P-C4'-P energy: -106.753 tors. eta vs tors. theta energy: -176.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2170.433449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.433449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.433449 (E_RNA) where: Base-Base interactions energy: -1398.515 where: short stacking energy: -648.381 Base-Backbone interact. energy: 0.461 local terms energy: -772.379891 where: bonds (distance) C4'-P energy: -161.407 bonds (distance) P-C4' energy: -166.914 flat angles C4'-P-C4' energy: -148.700 flat angles P-C4'-P energy: -113.727 tors. eta vs tors. theta energy: -181.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1801.312288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.312288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.312288 (E_RNA) where: Base-Base interactions energy: -1161.163 where: short stacking energy: -537.783 Base-Backbone interact. energy: -4.564 local terms energy: -635.584763 where: bonds (distance) C4'-P energy: -124.647 bonds (distance) P-C4' energy: -147.755 flat angles C4'-P-C4' energy: -157.004 flat angles P-C4'-P energy: -87.501 tors. eta vs tors. theta energy: -118.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1577.781743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.781743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.781743 (E_RNA) where: Base-Base interactions energy: -1019.629 where: short stacking energy: -448.859 Base-Backbone interact. energy: 3.820 local terms energy: -561.972684 where: bonds (distance) C4'-P energy: -154.611 bonds (distance) P-C4' energy: -139.974 flat angles C4'-P-C4' energy: -128.007 flat angles P-C4'-P energy: -54.970 tors. eta vs tors. theta energy: -84.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1463.633074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.633074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.633074 (E_RNA) where: Base-Base interactions energy: -899.096 where: short stacking energy: -442.181 Base-Backbone interact. energy: -0.691 local terms energy: -563.846371 where: bonds (distance) C4'-P energy: -115.205 bonds (distance) P-C4' energy: -146.368 flat angles C4'-P-C4' energy: -149.326 flat angles P-C4'-P energy: -79.449 tors. eta vs tors. theta energy: -73.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -828.353413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.353413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.353413 (E_RNA) where: Base-Base interactions energy: -377.301 where: short stacking energy: -228.342 Base-Backbone interact. energy: 1.824 local terms energy: -452.876679 where: bonds (distance) C4'-P energy: -152.835 bonds (distance) P-C4' energy: -137.606 flat angles C4'-P-C4' energy: -101.422 flat angles P-C4'-P energy: -56.200 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -2891.812369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.812369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.812369 (E_RNA) where: Base-Base interactions energy: -1973.808 where: short stacking energy: -886.982 Base-Backbone interact. energy: 2.296 local terms energy: -920.300893 where: bonds (distance) C4'-P energy: -160.977 bonds (distance) P-C4' energy: -171.997 flat angles C4'-P-C4' energy: -194.471 flat angles P-C4'-P energy: -141.852 tors. eta vs tors. theta energy: -251.004 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: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -2658.490062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.490062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.490062 (E_RNA) where: Base-Base interactions energy: -1836.583 where: short stacking energy: -814.805 Base-Backbone interact. energy: -0.971 local terms energy: -820.936104 where: bonds (distance) C4'-P energy: -158.811 bonds (distance) P-C4' energy: -144.266 flat angles C4'-P-C4' energy: -177.970 flat angles P-C4'-P energy: -118.693 tors. eta vs tors. theta energy: -221.195 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: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2624.898678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.898678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.898678 (E_RNA) where: Base-Base interactions energy: -1835.037 where: short stacking energy: -763.582 Base-Backbone interact. energy: -2.184 local terms energy: -787.678052 where: bonds (distance) C4'-P energy: -144.941 bonds (distance) P-C4' energy: -162.393 flat angles C4'-P-C4' energy: -174.633 flat angles P-C4'-P energy: -109.208 tors. eta vs tors. theta energy: -196.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2413.968788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.968788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.968788 (E_RNA) where: Base-Base interactions energy: -1649.734 where: short stacking energy: -736.479 Base-Backbone interact. energy: -2.361 local terms energy: -761.874145 where: bonds (distance) C4'-P energy: -150.710 bonds (distance) P-C4' energy: -150.168 flat angles C4'-P-C4' energy: -165.920 flat angles P-C4'-P energy: -103.732 tors. eta vs tors. theta energy: -191.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2241.129624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.129624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.129624 (E_RNA) where: Base-Base interactions energy: -1529.156 where: short stacking energy: -663.248 Base-Backbone interact. energy: 3.312 local terms energy: -715.285683 where: bonds (distance) C4'-P energy: -136.062 bonds (distance) P-C4' energy: -164.194 flat angles C4'-P-C4' energy: -149.206 flat angles P-C4'-P energy: -97.966 tors. eta vs tors. theta energy: -167.857 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: 6, replica: 3 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2159.623414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.623414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.623414 (E_RNA) where: Base-Base interactions energy: -1444.952 where: short stacking energy: -661.060 Base-Backbone interact. energy: -0.273 local terms energy: -714.398039 where: bonds (distance) C4'-P energy: -148.790 bonds (distance) P-C4' energy: -140.839 flat angles C4'-P-C4' energy: -154.171 flat angles P-C4'-P energy: -105.238 tors. eta vs tors. theta energy: -165.360 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: 5 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1884.425602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.425602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.425602 (E_RNA) where: Base-Base interactions energy: -1222.476 where: short stacking energy: -597.104 Base-Backbone interact. energy: -1.532 local terms energy: -660.417929 where: bonds (distance) C4'-P energy: -141.705 bonds (distance) P-C4' energy: -122.906 flat angles C4'-P-C4' energy: -160.483 flat angles P-C4'-P energy: -101.556 tors. eta vs tors. theta energy: -133.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1613.614990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.614990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.614990 (E_RNA) where: Base-Base interactions energy: -1041.814 where: short stacking energy: -488.605 Base-Backbone interact. energy: -0.786 local terms energy: -571.015244 where: bonds (distance) C4'-P energy: -119.750 bonds (distance) P-C4' energy: -127.616 flat angles C4'-P-C4' energy: -138.873 flat angles P-C4'-P energy: -92.616 tors. eta vs tors. theta energy: -92.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1465.363346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.363346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.363346 (E_RNA) where: Base-Base interactions energy: -952.127 where: short stacking energy: -456.740 Base-Backbone interact. energy: 1.227 local terms energy: -514.463316 where: bonds (distance) C4'-P energy: -109.356 bonds (distance) P-C4' energy: -117.081 flat angles C4'-P-C4' energy: -146.717 flat angles P-C4'-P energy: -75.656 tors. eta vs tors. theta energy: -65.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -737.130489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.130489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.130489 (E_RNA) where: Base-Base interactions energy: -317.713 where: short stacking energy: -210.688 Base-Backbone interact. energy: -0.347 local terms energy: -419.070389 where: bonds (distance) C4'-P energy: -123.854 bonds (distance) P-C4' energy: -142.698 flat angles C4'-P-C4' energy: -110.996 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: 20.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -2888.138561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.138561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.138561 (E_RNA) where: Base-Base interactions energy: -1987.217 where: short stacking energy: -884.900 Base-Backbone interact. energy: -3.589 local terms energy: -897.332572 where: bonds (distance) C4'-P energy: -166.447 bonds (distance) P-C4' energy: -155.092 flat angles C4'-P-C4' energy: -197.487 flat angles P-C4'-P energy: -130.511 tors. eta vs tors. theta energy: -247.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -2664.225813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.225813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.225813 (E_RNA) where: Base-Base interactions energy: -1846.696 where: short stacking energy: -815.241 Base-Backbone interact. energy: -7.157 local terms energy: -810.372739 where: bonds (distance) C4'-P energy: -167.267 bonds (distance) P-C4' energy: -164.274 flat angles C4'-P-C4' energy: -164.170 flat angles P-C4'-P energy: -90.216 tors. eta vs tors. theta energy: -224.446 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: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2615.656444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.656444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.656444 (E_RNA) where: Base-Base interactions energy: -1827.807 where: short stacking energy: -739.044 Base-Backbone interact. energy: -1.515 local terms energy: -786.334669 where: bonds (distance) C4'-P energy: -164.234 bonds (distance) P-C4' energy: -146.215 flat angles C4'-P-C4' energy: -174.254 flat angles P-C4'-P energy: -114.663 tors. eta vs tors. theta energy: -186.968 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: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2415.596108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.596108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.596108 (E_RNA) where: Base-Base interactions energy: -1642.901 where: short stacking energy: -750.232 Base-Backbone interact. energy: 0.906 local terms energy: -773.601292 where: bonds (distance) C4'-P energy: -144.094 bonds (distance) P-C4' energy: -166.201 flat angles C4'-P-C4' energy: -170.724 flat angles P-C4'-P energy: -112.152 tors. eta vs tors. theta energy: -180.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2275.271509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.271509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.271509 (E_RNA) where: Base-Base interactions energy: -1534.633 where: short stacking energy: -698.508 Base-Backbone interact. energy: 0.445 local terms energy: -741.083143 where: bonds (distance) C4'-P energy: -155.987 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -172.617 flat angles P-C4'-P energy: -86.345 tors. eta vs tors. theta energy: -179.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2144.167191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.167191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.167191 (E_RNA) where: Base-Base interactions energy: -1401.309 where: short stacking energy: -647.189 Base-Backbone interact. energy: 0.526 local terms energy: -743.384231 where: bonds (distance) C4'-P energy: -149.700 bonds (distance) P-C4' energy: -149.628 flat angles C4'-P-C4' energy: -155.762 flat angles P-C4'-P energy: -113.709 tors. eta vs tors. theta energy: -174.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1919.697855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.697855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.697855 (E_RNA) where: Base-Base interactions energy: -1256.248 where: short stacking energy: -581.720 Base-Backbone interact. energy: 1.589 local terms energy: -665.038811 where: bonds (distance) C4'-P energy: -139.186 bonds (distance) P-C4' energy: -136.976 flat angles C4'-P-C4' energy: -145.023 flat angles P-C4'-P energy: -114.665 tors. eta vs tors. theta energy: -129.189 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: 8, replica: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1637.181943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.181943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.181943 (E_RNA) where: Base-Base interactions energy: -1063.472 where: short stacking energy: -500.851 Base-Backbone interact. energy: -1.972 local terms energy: -571.737159 where: bonds (distance) C4'-P energy: -137.755 bonds (distance) P-C4' energy: -131.970 flat angles C4'-P-C4' energy: -146.693 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -86.297 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: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1430.730302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.730302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.730302 (E_RNA) where: Base-Base interactions energy: -891.772 where: short stacking energy: -402.677 Base-Backbone interact. energy: -1.785 local terms energy: -537.172909 where: bonds (distance) C4'-P energy: -124.814 bonds (distance) P-C4' energy: -138.928 flat angles C4'-P-C4' energy: -113.244 flat angles P-C4'-P energy: -96.646 tors. eta vs tors. theta energy: -63.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -694.979373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.979373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.979373 (E_RNA) where: Base-Base interactions energy: -299.961 where: short stacking energy: -208.905 Base-Backbone interact. energy: 0.536 local terms energy: -395.554443 where: bonds (distance) C4'-P energy: -124.008 bonds (distance) P-C4' energy: -126.869 flat angles C4'-P-C4' energy: -108.974 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: 22.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -2899.671812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.671812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.671812 (E_RNA) where: Base-Base interactions energy: -1988.084 where: short stacking energy: -896.099 Base-Backbone interact. energy: -4.689 local terms energy: -906.898941 where: bonds (distance) C4'-P energy: -154.373 bonds (distance) P-C4' energy: -172.429 flat angles C4'-P-C4' energy: -195.762 flat angles P-C4'-P energy: -137.674 tors. eta vs tors. theta energy: -246.661 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: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2645.105129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.105129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.105129 (E_RNA) where: Base-Base interactions energy: -1822.025 where: short stacking energy: -800.133 Base-Backbone interact. energy: -1.058 local terms energy: -822.021647 where: bonds (distance) C4'-P energy: -160.585 bonds (distance) P-C4' energy: -167.451 flat angles C4'-P-C4' energy: -179.415 flat angles P-C4'-P energy: -114.879 tors. eta vs tors. theta energy: -199.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2618.862366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.862366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.862366 (E_RNA) where: Base-Base interactions energy: -1848.236 where: short stacking energy: -743.554 Base-Backbone interact. energy: -3.724 local terms energy: -766.902772 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -177.160 flat angles P-C4'-P energy: -116.591 tors. eta vs tors. theta energy: -172.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2409.747112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.747112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.747112 (E_RNA) where: Base-Base interactions energy: -1625.827 where: short stacking energy: -746.331 Base-Backbone interact. energy: -5.393 local terms energy: -778.527590 where: bonds (distance) C4'-P energy: -153.204 bonds (distance) P-C4' energy: -137.980 flat angles C4'-P-C4' energy: -163.517 flat angles P-C4'-P energy: -115.418 tors. eta vs tors. theta energy: -208.409 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2256.421992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.421992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.421992 (E_RNA) where: Base-Base interactions energy: -1559.045 where: short stacking energy: -692.200 Base-Backbone interact. energy: -1.642 local terms energy: -695.734463 where: bonds (distance) C4'-P energy: -134.434 bonds (distance) P-C4' energy: -138.029 flat angles C4'-P-C4' energy: -149.657 flat angles P-C4'-P energy: -103.365 tors. eta vs tors. theta energy: -170.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2143.684048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.684048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.684048 (E_RNA) where: Base-Base interactions energy: -1413.958 where: short stacking energy: -656.013 Base-Backbone interact. energy: 1.560 local terms energy: -731.285854 where: bonds (distance) C4'-P energy: -140.138 bonds (distance) P-C4' energy: -147.894 flat angles C4'-P-C4' energy: -166.664 flat angles P-C4'-P energy: -93.530 tors. eta vs tors. theta energy: -183.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1864.625353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.625353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.625353 (E_RNA) where: Base-Base interactions energy: -1244.398 where: short stacking energy: -574.560 Base-Backbone interact. energy: -0.992 local terms energy: -619.235505 where: bonds (distance) C4'-P energy: -121.129 bonds (distance) P-C4' energy: -131.992 flat angles C4'-P-C4' energy: -148.078 flat angles P-C4'-P energy: -94.573 tors. eta vs tors. theta energy: -123.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1631.497724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.497724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.497724 (E_RNA) where: Base-Base interactions energy: -1031.835 where: short stacking energy: -468.729 Base-Backbone interact. energy: -0.135 local terms energy: -599.528203 where: bonds (distance) C4'-P energy: -135.359 bonds (distance) P-C4' energy: -154.156 flat angles C4'-P-C4' energy: -135.106 flat angles P-C4'-P energy: -82.988 tors. eta vs tors. theta energy: -91.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1445.479495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.479495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.479495 (E_RNA) where: Base-Base interactions energy: -911.045 where: short stacking energy: -432.500 Base-Backbone interact. energy: 1.319 local terms energy: -535.753149 where: bonds (distance) C4'-P energy: -118.291 bonds (distance) P-C4' energy: -132.532 flat angles C4'-P-C4' energy: -137.792 flat angles P-C4'-P energy: -84.324 tors. eta vs tors. theta energy: -62.814 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: 8 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -742.972180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.972180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.972180 (E_RNA) where: Base-Base interactions energy: -332.454 where: short stacking energy: -208.993 Base-Backbone interact. energy: -0.223 local terms energy: -410.294638 where: bonds (distance) C4'-P energy: -123.296 bonds (distance) P-C4' energy: -131.445 flat angles C4'-P-C4' energy: -112.359 flat angles P-C4'-P energy: -62.890 tors. eta vs tors. theta energy: 19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -2937.932102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.932102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.932102 (E_RNA) where: Base-Base interactions energy: -2021.284 where: short stacking energy: -880.284 Base-Backbone interact. energy: -1.465 local terms energy: -915.183548 where: bonds (distance) C4'-P energy: -175.861 bonds (distance) P-C4' energy: -184.503 flat angles C4'-P-C4' energy: -188.228 flat angles P-C4'-P energy: -117.936 tors. eta vs tors. theta energy: -248.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -2652.317116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.317116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.317116 (E_RNA) where: Base-Base interactions energy: -1822.389 where: short stacking energy: -782.805 Base-Backbone interact. energy: -2.301 local terms energy: -827.626816 where: bonds (distance) C4'-P energy: -162.449 bonds (distance) P-C4' energy: -152.930 flat angles C4'-P-C4' energy: -171.291 flat angles P-C4'-P energy: -128.240 tors. eta vs tors. theta energy: -212.717 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: 9 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2616.399802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.399802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.399802 (E_RNA) where: Base-Base interactions energy: -1848.764 where: short stacking energy: -746.067 Base-Backbone interact. energy: -1.558 local terms energy: -766.078030 where: bonds (distance) C4'-P energy: -147.361 bonds (distance) P-C4' energy: -175.537 flat angles C4'-P-C4' energy: -170.560 flat angles P-C4'-P energy: -102.180 tors. eta vs tors. theta energy: -170.440 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: 4 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2352.993308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.993308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.993308 (E_RNA) where: Base-Base interactions energy: -1594.989 where: short stacking energy: -730.779 Base-Backbone interact. energy: 1.684 local terms energy: -759.687876 where: bonds (distance) C4'-P energy: -148.713 bonds (distance) P-C4' energy: -143.980 flat angles C4'-P-C4' energy: -170.902 flat angles P-C4'-P energy: -121.241 tors. eta vs tors. theta energy: -174.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2222.740365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.740365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.740365 (E_RNA) where: Base-Base interactions energy: -1496.232 where: short stacking energy: -654.848 Base-Backbone interact. energy: -0.425 local terms energy: -726.083054 where: bonds (distance) C4'-P energy: -126.883 bonds (distance) P-C4' energy: -151.973 flat angles C4'-P-C4' energy: -165.308 flat angles P-C4'-P energy: -114.011 tors. eta vs tors. theta energy: -167.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2136.494262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.494262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.494262 (E_RNA) where: Base-Base interactions energy: -1433.322 where: short stacking energy: -657.408 Base-Backbone interact. energy: -0.370 local terms energy: -702.802140 where: bonds (distance) C4'-P energy: -114.969 bonds (distance) P-C4' energy: -150.546 flat angles C4'-P-C4' energy: -161.218 flat angles P-C4'-P energy: -95.403 tors. eta vs tors. theta energy: -180.665 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: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -1844.384254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.384254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.384254 (E_RNA) where: Base-Base interactions energy: -1235.166 where: short stacking energy: -585.078 Base-Backbone interact. energy: 2.794 local terms energy: -612.012756 where: bonds (distance) C4'-P energy: -126.232 bonds (distance) P-C4' energy: -126.917 flat angles C4'-P-C4' energy: -140.064 flat angles P-C4'-P energy: -89.779 tors. eta vs tors. theta energy: -129.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1674.648397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.648397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.648397 (E_RNA) where: Base-Base interactions energy: -1077.571 where: short stacking energy: -469.501 Base-Backbone interact. energy: -3.425 local terms energy: -593.651663 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -136.832 flat angles C4'-P-C4' energy: -140.886 flat angles P-C4'-P energy: -81.368 tors. eta vs tors. theta energy: -100.740 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: 9, replica: 2 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1389.909605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.909605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.909605 (E_RNA) where: Base-Base interactions energy: -851.664 where: short stacking energy: -407.485 Base-Backbone interact. energy: 3.874 local terms energy: -542.119954 where: bonds (distance) C4'-P energy: -131.658 bonds (distance) P-C4' energy: -121.483 flat angles C4'-P-C4' energy: -156.981 flat angles P-C4'-P energy: -79.198 tors. eta vs tors. theta energy: -52.801 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: 8 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -854.957376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.957376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.957376 (E_RNA) where: Base-Base interactions energy: -381.959 where: short stacking energy: -238.005 Base-Backbone interact. energy: -1.060 local terms energy: -471.938326 where: bonds (distance) C4'-P energy: -104.930 bonds (distance) P-C4' energy: -156.157 flat angles C4'-P-C4' energy: -118.035 flat angles P-C4'-P energy: -87.186 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -2965.909673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.909673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.909673 (E_RNA) where: Base-Base interactions energy: -2025.838 where: short stacking energy: -917.730 Base-Backbone interact. energy: -2.623 local terms energy: -937.449236 where: bonds (distance) C4'-P energy: -162.413 bonds (distance) P-C4' energy: -162.885 flat angles C4'-P-C4' energy: -201.439 flat angles P-C4'-P energy: -140.353 tors. eta vs tors. theta energy: -270.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2683.535764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.535764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.535764 (E_RNA) where: Base-Base interactions energy: -1865.286 where: short stacking energy: -776.266 Base-Backbone interact. energy: 1.270 local terms energy: -819.520677 where: bonds (distance) C4'-P energy: -145.842 bonds (distance) P-C4' energy: -171.436 flat angles C4'-P-C4' energy: -189.717 flat angles P-C4'-P energy: -116.521 tors. eta vs tors. theta energy: -196.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2622.000206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.000206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.000206 (E_RNA) where: Base-Base interactions energy: -1786.584 where: short stacking energy: -789.099 Base-Backbone interact. energy: -3.040 local terms energy: -832.376615 where: bonds (distance) C4'-P energy: -149.032 bonds (distance) P-C4' energy: -172.080 flat angles C4'-P-C4' energy: -169.361 flat angles P-C4'-P energy: -130.257 tors. eta vs tors. theta energy: -211.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2348.408027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.408027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.408027 (E_RNA) where: Base-Base interactions energy: -1586.046 where: short stacking energy: -708.437 Base-Backbone interact. energy: -0.485 local terms energy: -761.877267 where: bonds (distance) C4'-P energy: -140.406 bonds (distance) P-C4' energy: -152.603 flat angles C4'-P-C4' energy: -175.492 flat angles P-C4'-P energy: -110.001 tors. eta vs tors. theta energy: -183.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2212.140571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.140571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.140571 (E_RNA) where: Base-Base interactions energy: -1478.050 where: short stacking energy: -654.589 Base-Backbone interact. energy: 2.703 local terms energy: -736.793672 where: bonds (distance) C4'-P energy: -152.260 bonds (distance) P-C4' energy: -154.281 flat angles C4'-P-C4' energy: -165.519 flat angles P-C4'-P energy: -101.196 tors. eta vs tors. theta energy: -163.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2110.460766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.460766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.460766 (E_RNA) where: Base-Base interactions energy: -1392.709 where: short stacking energy: -668.973 Base-Backbone interact. energy: -0.133 local terms energy: -717.618282 where: bonds (distance) C4'-P energy: -138.636 bonds (distance) P-C4' energy: -142.760 flat angles C4'-P-C4' energy: -159.310 flat angles P-C4'-P energy: -96.700 tors. eta vs tors. theta energy: -180.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1970.816377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.816377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.816377 (E_RNA) where: Base-Base interactions energy: -1328.497 where: short stacking energy: -615.598 Base-Backbone interact. energy: 0.405 local terms energy: -642.724655 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -129.011 flat angles C4'-P-C4' energy: -145.121 flat angles P-C4'-P energy: -93.984 tors. eta vs tors. theta energy: -134.937 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: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1667.387637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.387637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.387637 (E_RNA) where: Base-Base interactions energy: -1059.133 where: short stacking energy: -480.052 Base-Backbone interact. energy: -6.543 local terms energy: -601.711920 where: bonds (distance) C4'-P energy: -130.590 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -146.358 flat angles P-C4'-P energy: -87.093 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: 9, replica: 2 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1455.784902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.784902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.784902 (E_RNA) where: Base-Base interactions energy: -899.470 where: short stacking energy: -432.404 Base-Backbone interact. energy: 1.557 local terms energy: -557.871741 where: bonds (distance) C4'-P energy: -131.408 bonds (distance) P-C4' energy: -134.293 flat angles C4'-P-C4' energy: -143.017 flat angles P-C4'-P energy: -88.086 tors. eta vs tors. theta energy: -61.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -799.524709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.524709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.524709 (E_RNA) where: Base-Base interactions energy: -386.386 where: short stacking energy: -258.078 Base-Backbone interact. energy: -3.371 local terms energy: -409.768494 where: bonds (distance) C4'-P energy: -112.231 bonds (distance) P-C4' energy: -142.606 flat angles C4'-P-C4' energy: -106.051 flat angles P-C4'-P energy: -74.324 tors. eta vs tors. theta energy: 25.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -2917.436471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.436471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.436471 (E_RNA) where: Base-Base interactions energy: -2004.235 where: short stacking energy: -910.322 Base-Backbone interact. energy: -0.186 local terms energy: -913.015401 where: bonds (distance) C4'-P energy: -176.310 bonds (distance) P-C4' energy: -165.482 flat angles C4'-P-C4' energy: -189.535 flat angles P-C4'-P energy: -121.348 tors. eta vs tors. theta energy: -260.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2745.297960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.297960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.297960 (E_RNA) where: Base-Base interactions energy: -1938.609 where: short stacking energy: -803.507 Base-Backbone interact. energy: -6.427 local terms energy: -800.261832 where: bonds (distance) C4'-P energy: -156.658 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -179.593 flat angles P-C4'-P energy: -116.048 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: 3, replica: 7 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2510.020852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.020852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.020852 (E_RNA) where: Base-Base interactions energy: -1736.382 where: short stacking energy: -760.816 Base-Backbone interact. energy: -1.859 local terms energy: -771.780005 where: bonds (distance) C4'-P energy: -137.080 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -176.537 flat angles P-C4'-P energy: -113.131 tors. eta vs tors. theta energy: -195.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2383.665208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.665208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.665208 (E_RNA) where: Base-Base interactions energy: -1623.923 where: short stacking energy: -763.900 Base-Backbone interact. energy: 1.568 local terms energy: -761.310707 where: bonds (distance) C4'-P energy: -145.332 bonds (distance) P-C4' energy: -149.990 flat angles C4'-P-C4' energy: -175.086 flat angles P-C4'-P energy: -104.661 tors. eta vs tors. theta energy: -186.242 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2186.029338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.029338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.029338 (E_RNA) where: Base-Base interactions energy: -1526.590 where: short stacking energy: -676.747 Base-Backbone interact. energy: -2.895 local terms energy: -656.544474 where: bonds (distance) C4'-P energy: -111.254 bonds (distance) P-C4' energy: -151.075 flat angles C4'-P-C4' energy: -156.939 flat angles P-C4'-P energy: -82.847 tors. eta vs tors. theta energy: -154.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2091.310716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.310716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.310716 (E_RNA) where: Base-Base interactions energy: -1353.349 where: short stacking energy: -616.233 Base-Backbone interact. energy: -4.374 local terms energy: -733.588239 where: bonds (distance) C4'-P energy: -147.125 bonds (distance) P-C4' energy: -168.571 flat angles C4'-P-C4' energy: -161.674 flat angles P-C4'-P energy: -104.366 tors. eta vs tors. theta energy: -151.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -1925.226235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.226235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.226235 (E_RNA) where: Base-Base interactions energy: -1256.802 where: short stacking energy: -572.995 Base-Backbone interact. energy: -3.125 local terms energy: -665.299007 where: bonds (distance) C4'-P energy: -158.473 bonds (distance) P-C4' energy: -141.926 flat angles C4'-P-C4' energy: -152.479 flat angles P-C4'-P energy: -87.405 tors. eta vs tors. theta energy: -125.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1717.304314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.304314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.304314 (E_RNA) where: Base-Base interactions energy: -1125.054 where: short stacking energy: -494.873 Base-Backbone interact. energy: -3.042 local terms energy: -589.207533 where: bonds (distance) C4'-P energy: -149.995 bonds (distance) P-C4' energy: -118.194 flat angles C4'-P-C4' energy: -141.661 flat angles P-C4'-P energy: -77.852 tors. eta vs tors. theta energy: -101.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1412.176542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.176542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.176542 (E_RNA) where: Base-Base interactions energy: -882.847 where: short stacking energy: -442.651 Base-Backbone interact. energy: 1.494 local terms energy: -530.823838 where: bonds (distance) C4'-P energy: -124.621 bonds (distance) P-C4' energy: -134.761 flat angles C4'-P-C4' energy: -124.726 flat angles P-C4'-P energy: -65.711 tors. eta vs tors. theta energy: -81.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -807.635464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.635464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.635464 (E_RNA) where: Base-Base interactions energy: -350.094 where: short stacking energy: -231.782 Base-Backbone interact. energy: 1.858 local terms energy: -459.399547 where: bonds (distance) C4'-P energy: -148.956 bonds (distance) P-C4' energy: -127.813 flat angles C4'-P-C4' energy: -109.516 flat angles P-C4'-P energy: -86.356 tors. eta vs tors. theta energy: 13.241 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: 137 Temperature: 0.900000 Total energy: -2943.716866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.716866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.716866 (E_RNA) where: Base-Base interactions energy: -2047.408 where: short stacking energy: -900.610 Base-Backbone interact. energy: -2.028 local terms energy: -894.280209 where: bonds (distance) C4'-P energy: -158.413 bonds (distance) P-C4' energy: -164.321 flat angles C4'-P-C4' energy: -184.384 flat angles P-C4'-P energy: -127.218 tors. eta vs tors. theta energy: -259.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2691.933769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.933769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.933769 (E_RNA) where: Base-Base interactions energy: -1866.859 where: short stacking energy: -773.965 Base-Backbone interact. energy: -4.593 local terms energy: -820.481762 where: bonds (distance) C4'-P energy: -159.038 bonds (distance) P-C4' energy: -164.662 flat angles C4'-P-C4' energy: -179.995 flat angles P-C4'-P energy: -126.775 tors. eta vs tors. theta energy: -190.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2568.476644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.476644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.476644 (E_RNA) where: Base-Base interactions energy: -1736.446 where: short stacking energy: -765.123 Base-Backbone interact. energy: -5.095 local terms energy: -826.935196 where: bonds (distance) C4'-P energy: -158.904 bonds (distance) P-C4' energy: -139.991 flat angles C4'-P-C4' energy: -188.888 flat angles P-C4'-P energy: -137.449 tors. eta vs tors. theta energy: -201.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2323.032287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.032287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.032287 (E_RNA) where: Base-Base interactions energy: -1590.526 where: short stacking energy: -721.054 Base-Backbone interact. energy: -1.283 local terms energy: -731.223321 where: bonds (distance) C4'-P energy: -152.551 bonds (distance) P-C4' energy: -134.797 flat angles C4'-P-C4' energy: -166.756 flat angles P-C4'-P energy: -98.340 tors. eta vs tors. theta energy: -178.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2237.779677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.779677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.779677 (E_RNA) where: Base-Base interactions energy: -1499.777 where: short stacking energy: -666.122 Base-Backbone interact. energy: -1.496 local terms energy: -736.507311 where: bonds (distance) C4'-P energy: -151.499 bonds (distance) P-C4' energy: -147.731 flat angles C4'-P-C4' energy: -146.134 flat angles P-C4'-P energy: -111.706 tors. eta vs tors. theta energy: -179.439 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: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2092.824075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.824075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.824075 (E_RNA) where: Base-Base interactions energy: -1395.673 where: short stacking energy: -607.809 Base-Backbone interact. energy: -2.633 local terms energy: -694.518215 where: bonds (distance) C4'-P energy: -144.173 bonds (distance) P-C4' energy: -150.994 flat angles C4'-P-C4' energy: -139.663 flat angles P-C4'-P energy: -98.521 tors. eta vs tors. theta energy: -161.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1844.781858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.781858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.781858 (E_RNA) where: Base-Base interactions energy: -1160.528 where: short stacking energy: -516.320 Base-Backbone interact. energy: 0.416 local terms energy: -684.669261 where: bonds (distance) C4'-P energy: -150.483 bonds (distance) P-C4' energy: -160.765 flat angles C4'-P-C4' energy: -159.860 flat angles P-C4'-P energy: -94.329 tors. eta vs tors. theta energy: -119.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1760.635679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.635679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.635679 (E_RNA) where: Base-Base interactions energy: -1152.305 where: short stacking energy: -507.260 Base-Backbone interact. energy: 2.939 local terms energy: -611.269567 where: bonds (distance) C4'-P energy: -134.437 bonds (distance) P-C4' energy: -141.149 flat angles C4'-P-C4' energy: -134.956 flat angles P-C4'-P energy: -90.437 tors. eta vs tors. theta energy: -110.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1425.171875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.171875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.171875 (E_RNA) where: Base-Base interactions energy: -888.008 where: short stacking energy: -434.323 Base-Backbone interact. energy: -0.552 local terms energy: -536.611389 where: bonds (distance) C4'-P energy: -122.096 bonds (distance) P-C4' energy: -134.508 flat angles C4'-P-C4' energy: -131.416 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -70.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -853.968059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.968059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.968059 (E_RNA) where: Base-Base interactions energy: -412.183 where: short stacking energy: -244.028 Base-Backbone interact. energy: 2.944 local terms energy: -444.728832 where: bonds (distance) C4'-P energy: -143.230 bonds (distance) P-C4' energy: -132.709 flat angles C4'-P-C4' energy: -110.407 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: 18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -2907.010097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.010097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.010097 (E_RNA) where: Base-Base interactions energy: -1977.092 where: short stacking energy: -911.393 Base-Backbone interact. energy: -0.930 local terms energy: -928.988159 where: bonds (distance) C4'-P energy: -174.121 bonds (distance) P-C4' energy: -170.605 flat angles C4'-P-C4' energy: -190.251 flat angles P-C4'-P energy: -127.696 tors. eta vs tors. theta energy: -266.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2674.918204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.918204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.918204 (E_RNA) where: Base-Base interactions energy: -1876.247 where: short stacking energy: -754.496 Base-Backbone interact. energy: -4.777 local terms energy: -793.894433 where: bonds (distance) C4'-P energy: -154.187 bonds (distance) P-C4' energy: -156.193 flat angles C4'-P-C4' energy: -180.099 flat angles P-C4'-P energy: -121.835 tors. eta vs tors. theta energy: -181.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2587.840457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.840457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.840457 (E_RNA) where: Base-Base interactions energy: -1774.364 where: short stacking energy: -770.604 Base-Backbone interact. energy: -0.664 local terms energy: -812.813223 where: bonds (distance) C4'-P energy: -138.262 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -184.045 flat angles P-C4'-P energy: -125.635 tors. eta vs tors. theta energy: -213.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2346.592933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.592933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.592933 (E_RNA) where: Base-Base interactions energy: -1635.783 where: short stacking energy: -720.287 Base-Backbone interact. energy: -0.257 local terms energy: -710.552632 where: bonds (distance) C4'-P energy: -139.028 bonds (distance) P-C4' energy: -136.010 flat angles C4'-P-C4' energy: -157.529 flat angles P-C4'-P energy: -103.663 tors. eta vs tors. theta energy: -174.323 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: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2253.646915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.646915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.646915 (E_RNA) where: Base-Base interactions energy: -1487.135 where: short stacking energy: -675.471 Base-Backbone interact. energy: -2.413 local terms energy: -764.099316 where: bonds (distance) C4'-P energy: -154.864 bonds (distance) P-C4' energy: -146.267 flat angles C4'-P-C4' energy: -170.816 flat angles P-C4'-P energy: -114.811 tors. eta vs tors. theta energy: -177.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2180.774933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.774933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.774933 (E_RNA) where: Base-Base interactions energy: -1452.290 where: short stacking energy: -663.466 Base-Backbone interact. energy: -0.442 local terms energy: -728.042812 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -147.545 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -102.588 tors. eta vs tors. theta energy: -179.996 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: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1936.511599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.511599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.511599 (E_RNA) where: Base-Base interactions energy: -1300.659 where: short stacking energy: -613.004 Base-Backbone interact. energy: -1.401 local terms energy: -634.452048 where: bonds (distance) C4'-P energy: -130.747 bonds (distance) P-C4' energy: -112.689 flat angles C4'-P-C4' energy: -156.450 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -133.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1703.190019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.190019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.190019 (E_RNA) where: Base-Base interactions energy: -1088.007 where: short stacking energy: -504.866 Base-Backbone interact. energy: -3.345 local terms energy: -611.837663 where: bonds (distance) C4'-P energy: -131.883 bonds (distance) P-C4' energy: -161.982 flat angles C4'-P-C4' energy: -120.415 flat angles P-C4'-P energy: -91.558 tors. eta vs tors. theta energy: -105.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1430.622964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.622964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.622964 (E_RNA) where: Base-Base interactions energy: -899.113 where: short stacking energy: -425.313 Base-Backbone interact. energy: -1.810 local terms energy: -529.699413 where: bonds (distance) C4'-P energy: -142.452 bonds (distance) P-C4' energy: -122.160 flat angles C4'-P-C4' energy: -140.112 flat angles P-C4'-P energy: -69.385 tors. eta vs tors. theta energy: -55.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -858.557374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.557374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.557374 (E_RNA) where: Base-Base interactions energy: -422.596 where: short stacking energy: -251.876 Base-Backbone interact. energy: -0.853 local terms energy: -435.108503 where: bonds (distance) C4'-P energy: -124.991 bonds (distance) P-C4' energy: -133.047 flat angles C4'-P-C4' energy: -103.891 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -1.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -2917.911681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.911681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.911681 (E_RNA) where: Base-Base interactions energy: -2012.485 where: short stacking energy: -880.481 Base-Backbone interact. energy: -0.624 local terms energy: -904.802567 where: bonds (distance) C4'-P energy: -166.667 bonds (distance) P-C4' energy: -157.087 flat angles C4'-P-C4' energy: -195.601 flat angles P-C4'-P energy: -139.800 tors. eta vs tors. theta energy: -245.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2688.354743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.354743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.354743 (E_RNA) where: Base-Base interactions energy: -1855.917 where: short stacking energy: -740.566 Base-Backbone interact. energy: -2.496 local terms energy: -829.941660 where: bonds (distance) C4'-P energy: -177.771 bonds (distance) P-C4' energy: -161.344 flat angles C4'-P-C4' energy: -188.989 flat angles P-C4'-P energy: -121.361 tors. eta vs tors. theta energy: -180.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2553.942727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.942727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.942727 (E_RNA) where: Base-Base interactions energy: -1770.470 where: short stacking energy: -773.271 Base-Backbone interact. energy: -1.079 local terms energy: -782.394008 where: bonds (distance) C4'-P energy: -135.078 bonds (distance) P-C4' energy: -155.301 flat angles C4'-P-C4' energy: -184.175 flat angles P-C4'-P energy: -110.705 tors. eta vs tors. theta energy: -197.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2367.154791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.154791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.154791 (E_RNA) where: Base-Base interactions energy: -1597.144 where: short stacking energy: -708.783 Base-Backbone interact. energy: -1.498 local terms energy: -768.512627 where: bonds (distance) C4'-P energy: -156.344 bonds (distance) P-C4' energy: -156.087 flat angles C4'-P-C4' energy: -161.136 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -183.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2277.622377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.622377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.622377 (E_RNA) where: Base-Base interactions energy: -1548.568 where: short stacking energy: -710.604 Base-Backbone interact. energy: 0.418 local terms energy: -729.472790 where: bonds (distance) C4'-P energy: -140.343 bonds (distance) P-C4' energy: -146.675 flat angles C4'-P-C4' energy: -161.324 flat angles P-C4'-P energy: -95.193 tors. eta vs tors. theta energy: -185.939 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: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2171.181592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.181592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.181592 (E_RNA) where: Base-Base interactions energy: -1469.840 where: short stacking energy: -653.180 Base-Backbone interact. energy: -3.553 local terms energy: -697.788831 where: bonds (distance) C4'-P energy: -110.436 bonds (distance) P-C4' energy: -155.129 flat angles C4'-P-C4' energy: -170.055 flat angles P-C4'-P energy: -95.871 tors. eta vs tors. theta energy: -166.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1945.106102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.106102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.106102 (E_RNA) where: Base-Base interactions energy: -1303.322 where: short stacking energy: -577.382 Base-Backbone interact. energy: -0.321 local terms energy: -641.462734 where: bonds (distance) C4'-P energy: -131.589 bonds (distance) P-C4' energy: -129.388 flat angles C4'-P-C4' energy: -154.082 flat angles P-C4'-P energy: -91.172 tors. eta vs tors. theta energy: -135.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1670.215637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.215637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.215637 (E_RNA) where: Base-Base interactions energy: -1069.146 where: short stacking energy: -493.073 Base-Backbone interact. energy: 3.953 local terms energy: -605.023021 where: bonds (distance) C4'-P energy: -124.419 bonds (distance) P-C4' energy: -150.538 flat angles C4'-P-C4' energy: -143.402 flat angles P-C4'-P energy: -89.379 tors. eta vs tors. theta energy: -97.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1397.346077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.346077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.346077 (E_RNA) where: Base-Base interactions energy: -864.448 where: short stacking energy: -451.980 Base-Backbone interact. energy: -1.277 local terms energy: -531.621401 where: bonds (distance) C4'-P energy: -142.848 bonds (distance) P-C4' energy: -142.283 flat angles C4'-P-C4' energy: -110.749 flat angles P-C4'-P energy: -68.718 tors. eta vs tors. theta energy: -67.023 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: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -883.836775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.836775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.836775 (E_RNA) where: Base-Base interactions energy: -410.593 where: short stacking energy: -234.407 Base-Backbone interact. energy: 3.398 local terms energy: -476.642380 where: bonds (distance) C4'-P energy: -136.099 bonds (distance) P-C4' energy: -146.444 flat angles C4'-P-C4' energy: -130.813 flat angles P-C4'-P energy: -66.492 tors. eta vs tors. theta energy: 3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -2940.787744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.787744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.787744 (E_RNA) where: Base-Base interactions energy: -2002.004 where: short stacking energy: -903.181 Base-Backbone interact. energy: -0.375 local terms energy: -938.409037 where: bonds (distance) C4'-P energy: -174.529 bonds (distance) P-C4' energy: -172.604 flat angles C4'-P-C4' energy: -195.057 flat angles P-C4'-P energy: -138.717 tors. eta vs tors. theta energy: -257.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -2693.532019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.532019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.532019 (E_RNA) where: Base-Base interactions energy: -1898.262 where: short stacking energy: -748.807 Base-Backbone interact. energy: -4.813 local terms energy: -790.457200 where: bonds (distance) C4'-P energy: -145.851 bonds (distance) P-C4' energy: -172.278 flat angles C4'-P-C4' energy: -186.643 flat angles P-C4'-P energy: -106.744 tors. eta vs tors. theta energy: -178.941 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: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2645.944180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.944180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.944180 (E_RNA) where: Base-Base interactions energy: -1843.827 where: short stacking energy: -816.094 Base-Backbone interact. energy: 2.674 local terms energy: -804.791382 where: bonds (distance) C4'-P energy: -146.032 bonds (distance) P-C4' energy: -156.606 flat angles C4'-P-C4' energy: -165.506 flat angles P-C4'-P energy: -115.810 tors. eta vs tors. theta energy: -220.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2385.730550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.730550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.730550 (E_RNA) where: Base-Base interactions energy: -1643.043 where: short stacking energy: -714.750 Base-Backbone interact. energy: 0.395 local terms energy: -743.083344 where: bonds (distance) C4'-P energy: -129.780 bonds (distance) P-C4' energy: -155.840 flat angles C4'-P-C4' energy: -176.974 flat angles P-C4'-P energy: -108.563 tors. eta vs tors. theta energy: -171.926 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2293.814984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.814984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.814984 (E_RNA) where: Base-Base interactions energy: -1544.153 where: short stacking energy: -643.930 Base-Backbone interact. energy: 1.034 local terms energy: -750.696146 where: bonds (distance) C4'-P energy: -152.458 bonds (distance) P-C4' energy: -153.703 flat angles C4'-P-C4' energy: -165.702 flat angles P-C4'-P energy: -110.731 tors. eta vs tors. theta energy: -168.103 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: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2171.128321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.128321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.128321 (E_RNA) where: Base-Base interactions energy: -1449.103 where: short stacking energy: -651.412 Base-Backbone interact. energy: 3.097 local terms energy: -725.122434 where: bonds (distance) C4'-P energy: -135.152 bonds (distance) P-C4' energy: -142.268 flat angles C4'-P-C4' energy: -187.911 flat angles P-C4'-P energy: -93.880 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: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1987.802225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.802225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.802225 (E_RNA) where: Base-Base interactions energy: -1329.141 where: short stacking energy: -604.988 Base-Backbone interact. energy: 1.925 local terms energy: -660.586243 where: bonds (distance) C4'-P energy: -127.582 bonds (distance) P-C4' energy: -130.436 flat angles C4'-P-C4' energy: -151.585 flat angles P-C4'-P energy: -103.184 tors. eta vs tors. theta energy: -147.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1720.955326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.955326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.955326 (E_RNA) where: Base-Base interactions energy: -1098.979 where: short stacking energy: -513.647 Base-Backbone interact. energy: -2.838 local terms energy: -619.138053 where: bonds (distance) C4'-P energy: -142.656 bonds (distance) P-C4' energy: -128.710 flat angles C4'-P-C4' energy: -144.998 flat angles P-C4'-P energy: -110.654 tors. eta vs tors. theta energy: -92.120 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: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1348.167613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.167613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.167613 (E_RNA) where: Base-Base interactions energy: -801.241 where: short stacking energy: -361.931 Base-Backbone interact. energy: -3.197 local terms energy: -543.729768 where: bonds (distance) C4'-P energy: -159.679 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -122.143 flat angles P-C4'-P energy: -70.101 tors. eta vs tors. theta energy: -57.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -913.360243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.360243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.360243 (E_RNA) where: Base-Base interactions energy: -438.313 where: short stacking energy: -248.423 Base-Backbone interact. energy: 0.717 local terms energy: -475.764573 where: bonds (distance) C4'-P energy: -125.441 bonds (distance) P-C4' energy: -142.710 flat angles C4'-P-C4' energy: -97.774 flat angles P-C4'-P energy: -90.702 tors. eta vs tors. theta energy: -19.138 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: 141 Temperature: 0.900000 Total energy: -2908.536335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.536335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.536335 (E_RNA) where: Base-Base interactions energy: -1986.068 where: short stacking energy: -896.540 Base-Backbone interact. energy: -2.309 local terms energy: -920.159753 where: bonds (distance) C4'-P energy: -179.296 bonds (distance) P-C4' energy: -178.245 flat angles C4'-P-C4' energy: -185.655 flat angles P-C4'-P energy: -126.870 tors. eta vs tors. theta energy: -250.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2723.653513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.653513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.653513 (E_RNA) where: Base-Base interactions energy: -1904.230 where: short stacking energy: -772.521 Base-Backbone interact. energy: -4.154 local terms energy: -815.269581 where: bonds (distance) C4'-P energy: -146.497 bonds (distance) P-C4' energy: -175.476 flat angles C4'-P-C4' energy: -175.119 flat angles P-C4'-P energy: -117.731 tors. eta vs tors. theta energy: -200.446 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: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2645.931889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.931889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.931889 (E_RNA) where: Base-Base interactions energy: -1806.309 where: short stacking energy: -806.443 Base-Backbone interact. energy: -4.544 local terms energy: -835.079031 where: bonds (distance) C4'-P energy: -148.193 bonds (distance) P-C4' energy: -168.716 flat angles C4'-P-C4' energy: -176.058 flat angles P-C4'-P energy: -122.941 tors. eta vs tors. theta energy: -219.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2371.470864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.470864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.470864 (E_RNA) where: Base-Base interactions energy: -1635.587 where: short stacking energy: -731.421 Base-Backbone interact. energy: -0.355 local terms energy: -735.528111 where: bonds (distance) C4'-P energy: -140.774 bonds (distance) P-C4' energy: -134.035 flat angles C4'-P-C4' energy: -181.954 flat angles P-C4'-P energy: -104.936 tors. eta vs tors. theta energy: -173.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2271.003193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.003193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.003193 (E_RNA) where: Base-Base interactions energy: -1530.294 where: short stacking energy: -671.234 Base-Backbone interact. energy: 3.159 local terms energy: -743.867977 where: bonds (distance) C4'-P energy: -127.570 bonds (distance) P-C4' energy: -151.174 flat angles C4'-P-C4' energy: -181.602 flat angles P-C4'-P energy: -107.657 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: 6, replica: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2162.347289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.347289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.347289 (E_RNA) where: Base-Base interactions energy: -1449.817 where: short stacking energy: -651.111 Base-Backbone interact. energy: -0.357 local terms energy: -712.173084 where: bonds (distance) C4'-P energy: -144.174 bonds (distance) P-C4' energy: -137.223 flat angles C4'-P-C4' energy: -167.563 flat angles P-C4'-P energy: -90.339 tors. eta vs tors. theta energy: -172.873 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1951.332874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.332874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.332874 (E_RNA) where: Base-Base interactions energy: -1272.706 where: short stacking energy: -596.442 Base-Backbone interact. energy: 3.223 local terms energy: -681.849556 where: bonds (distance) C4'-P energy: -131.713 bonds (distance) P-C4' energy: -145.797 flat angles C4'-P-C4' energy: -161.414 flat angles P-C4'-P energy: -101.293 tors. eta vs tors. theta energy: -141.632 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: 8, replica: 10 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1752.682531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.682531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.682531 (E_RNA) where: Base-Base interactions energy: -1142.528 where: short stacking energy: -519.768 Base-Backbone interact. energy: -1.220 local terms energy: -608.934331 where: bonds (distance) C4'-P energy: -148.953 bonds (distance) P-C4' energy: -145.986 flat angles C4'-P-C4' energy: -131.606 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -103.288 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: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1406.841330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.841330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.841330 (E_RNA) where: Base-Base interactions energy: -866.470 where: short stacking energy: -414.520 Base-Backbone interact. energy: 2.797 local terms energy: -543.168343 where: bonds (distance) C4'-P energy: -124.242 bonds (distance) P-C4' energy: -127.831 flat angles C4'-P-C4' energy: -123.948 flat angles P-C4'-P energy: -105.724 tors. eta vs tors. theta energy: -61.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -892.727744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.727744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.727744 (E_RNA) where: Base-Base interactions energy: -434.798 where: short stacking energy: -250.012 Base-Backbone interact. energy: 0.523 local terms energy: -458.452947 where: bonds (distance) C4'-P energy: -140.232 bonds (distance) P-C4' energy: -126.110 flat angles C4'-P-C4' energy: -112.786 flat angles P-C4'-P energy: -85.409 tors. eta vs tors. theta energy: 6.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -2949.781995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.781995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.781995 (E_RNA) where: Base-Base interactions energy: -2022.172 where: short stacking energy: -894.445 Base-Backbone interact. energy: -3.705 local terms energy: -923.904703 where: bonds (distance) C4'-P energy: -177.014 bonds (distance) P-C4' energy: -154.740 flat angles C4'-P-C4' energy: -195.765 flat angles P-C4'-P energy: -134.557 tors. eta vs tors. theta energy: -261.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2696.704450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.704450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.704450 (E_RNA) where: Base-Base interactions energy: -1907.142 where: short stacking energy: -769.345 Base-Backbone interact. energy: -2.281 local terms energy: -787.280988 where: bonds (distance) C4'-P energy: -154.640 bonds (distance) P-C4' energy: -145.486 flat angles C4'-P-C4' energy: -179.696 flat angles P-C4'-P energy: -123.364 tors. eta vs tors. theta energy: -184.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2583.419736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.419736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.419736 (E_RNA) where: Base-Base interactions energy: -1763.412 where: short stacking energy: -771.771 Base-Backbone interact. energy: -1.080 local terms energy: -818.927972 where: bonds (distance) C4'-P energy: -161.709 bonds (distance) P-C4' energy: -156.143 flat angles C4'-P-C4' energy: -173.505 flat angles P-C4'-P energy: -120.770 tors. eta vs tors. theta energy: -206.801 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: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2379.079278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.079278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.079278 (E_RNA) where: Base-Base interactions energy: -1610.187 where: short stacking energy: -694.191 Base-Backbone interact. energy: -2.264 local terms energy: -766.628527 where: bonds (distance) C4'-P energy: -149.018 bonds (distance) P-C4' energy: -179.280 flat angles C4'-P-C4' energy: -168.987 flat angles P-C4'-P energy: -99.418 tors. eta vs tors. theta energy: -169.926 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: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2263.288347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.288347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.288347 (E_RNA) where: Base-Base interactions energy: -1528.783 where: short stacking energy: -671.393 Base-Backbone interact. energy: 5.529 local terms energy: -740.033651 where: bonds (distance) C4'-P energy: -138.621 bonds (distance) P-C4' energy: -166.563 flat angles C4'-P-C4' energy: -174.275 flat angles P-C4'-P energy: -86.357 tors. eta vs tors. theta energy: -174.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2166.386026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.386026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.386026 (E_RNA) where: Base-Base interactions energy: -1497.794 where: short stacking energy: -670.923 Base-Backbone interact. energy: -0.893 local terms energy: -667.699318 where: bonds (distance) C4'-P energy: -136.775 bonds (distance) P-C4' energy: -143.237 flat angles C4'-P-C4' energy: -142.002 flat angles P-C4'-P energy: -86.166 tors. eta vs tors. theta energy: -159.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1943.518145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.518145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.518145 (E_RNA) where: Base-Base interactions energy: -1257.752 where: short stacking energy: -593.743 Base-Backbone interact. energy: -2.047 local terms energy: -683.719883 where: bonds (distance) C4'-P energy: -150.025 bonds (distance) P-C4' energy: -139.232 flat angles C4'-P-C4' energy: -153.206 flat angles P-C4'-P energy: -106.685 tors. eta vs tors. theta energy: -134.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1735.878857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.878857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.878857 (E_RNA) where: Base-Base interactions energy: -1117.197 where: short stacking energy: -493.548 Base-Backbone interact. energy: 2.644 local terms energy: -621.325481 where: bonds (distance) C4'-P energy: -155.636 bonds (distance) P-C4' energy: -135.691 flat angles C4'-P-C4' energy: -151.465 flat angles P-C4'-P energy: -79.899 tors. eta vs tors. theta energy: -98.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1467.494755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.494755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.494755 (E_RNA) where: Base-Base interactions energy: -923.635 where: short stacking energy: -448.342 Base-Backbone interact. energy: -2.980 local terms energy: -540.880286 where: bonds (distance) C4'-P energy: -144.274 bonds (distance) P-C4' energy: -137.207 flat angles C4'-P-C4' energy: -130.584 flat angles P-C4'-P energy: -75.977 tors. eta vs tors. theta energy: -52.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -841.689623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.689623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.689623 (E_RNA) where: Base-Base interactions energy: -412.535 where: short stacking energy: -261.319 Base-Backbone interact. energy: 3.844 local terms energy: -432.998245 where: bonds (distance) C4'-P energy: -123.389 bonds (distance) P-C4' energy: -118.232 flat angles C4'-P-C4' energy: -120.337 flat angles P-C4'-P energy: -67.614 tors. eta vs tors. theta energy: -3.426 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: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -2947.835612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.835612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.835612 (E_RNA) where: Base-Base interactions energy: -2033.307 where: short stacking energy: -894.294 Base-Backbone interact. energy: -1.918 local terms energy: -912.610807 where: bonds (distance) C4'-P energy: -161.860 bonds (distance) P-C4' energy: -166.345 flat angles C4'-P-C4' energy: -194.520 flat angles P-C4'-P energy: -138.962 tors. eta vs tors. theta energy: -250.924 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: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2711.085673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.085673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.085673 (E_RNA) where: Base-Base interactions energy: -1897.250 where: short stacking energy: -737.655 Base-Backbone interact. energy: -1.122 local terms energy: -812.714201 where: bonds (distance) C4'-P energy: -152.159 bonds (distance) P-C4' energy: -173.877 flat angles C4'-P-C4' energy: -175.604 flat angles P-C4'-P energy: -127.384 tors. eta vs tors. theta energy: -183.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2584.911818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.911818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.911818 (E_RNA) where: Base-Base interactions energy: -1785.015 where: short stacking energy: -798.653 Base-Backbone interact. energy: 1.138 local terms energy: -801.035307 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -155.986 flat angles C4'-P-C4' energy: -175.584 flat angles P-C4'-P energy: -110.503 tors. eta vs tors. theta energy: -208.945 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: 4 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2392.418326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.418326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.418326 (E_RNA) where: Base-Base interactions energy: -1635.524 where: short stacking energy: -719.898 Base-Backbone interact. energy: 2.756 local terms energy: -759.650464 where: bonds (distance) C4'-P energy: -146.542 bonds (distance) P-C4' energy: -156.224 flat angles C4'-P-C4' energy: -164.969 flat angles P-C4'-P energy: -104.783 tors. eta vs tors. theta energy: -187.132 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2233.546104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.546104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.546104 (E_RNA) where: Base-Base interactions energy: -1520.056 where: short stacking energy: -668.213 Base-Backbone interact. energy: -0.914 local terms energy: -712.575356 where: bonds (distance) C4'-P energy: -138.395 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -163.689 flat angles P-C4'-P energy: -115.865 tors. eta vs tors. theta energy: -161.643 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2176.718450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.718450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.718450 (E_RNA) where: Base-Base interactions energy: -1498.927 where: short stacking energy: -661.961 Base-Backbone interact. energy: 1.997 local terms energy: -679.787948 where: bonds (distance) C4'-P energy: -134.570 bonds (distance) P-C4' energy: -133.849 flat angles C4'-P-C4' energy: -159.451 flat angles P-C4'-P energy: -87.001 tors. eta vs tors. theta energy: -164.917 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: 7, replica: 5 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1978.969499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.969499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.969499 (E_RNA) where: Base-Base interactions energy: -1312.945 where: short stacking energy: -591.042 Base-Backbone interact. energy: 2.162 local terms energy: -668.186381 where: bonds (distance) C4'-P energy: -143.124 bonds (distance) P-C4' energy: -131.588 flat angles C4'-P-C4' energy: -167.611 flat angles P-C4'-P energy: -89.416 tors. eta vs tors. theta energy: -136.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1805.163323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.163323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.163323 (E_RNA) where: Base-Base interactions energy: -1196.016 where: short stacking energy: -530.090 Base-Backbone interact. energy: 9.295 local terms energy: -618.441966 where: bonds (distance) C4'-P energy: -141.982 bonds (distance) P-C4' energy: -123.444 flat angles C4'-P-C4' energy: -145.768 flat angles P-C4'-P energy: -104.394 tors. eta vs tors. theta energy: -102.855 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: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1379.640891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.640891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.640891 (E_RNA) where: Base-Base interactions energy: -867.940 where: short stacking energy: -417.729 Base-Backbone interact. energy: -0.144 local terms energy: -511.556439 where: bonds (distance) C4'-P energy: -129.789 bonds (distance) P-C4' energy: -136.522 flat angles C4'-P-C4' energy: -112.090 flat angles P-C4'-P energy: -77.108 tors. eta vs tors. theta energy: -56.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -887.689962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.689962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.689962 (E_RNA) where: Base-Base interactions energy: -443.234 where: short stacking energy: -252.144 Base-Backbone interact. energy: 5.689 local terms energy: -450.145579 where: bonds (distance) C4'-P energy: -134.064 bonds (distance) P-C4' energy: -143.048 flat angles C4'-P-C4' energy: -129.734 flat angles P-C4'-P energy: -37.812 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -2956.238539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.238539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.238539 (E_RNA) where: Base-Base interactions energy: -2045.387 where: short stacking energy: -920.070 Base-Backbone interact. energy: -1.284 local terms energy: -909.567597 where: bonds (distance) C4'-P energy: -157.123 bonds (distance) P-C4' energy: -171.329 flat angles C4'-P-C4' energy: -187.566 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -263.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2697.914840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.914840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.914840 (E_RNA) where: Base-Base interactions energy: -1934.039 where: short stacking energy: -738.533 Base-Backbone interact. energy: 6.306 local terms energy: -770.181865 where: bonds (distance) C4'-P energy: -152.057 bonds (distance) P-C4' energy: -169.291 flat angles C4'-P-C4' energy: -167.000 flat angles P-C4'-P energy: -112.103 tors. eta vs tors. theta energy: -169.731 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: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2587.089266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.089266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.089266 (E_RNA) where: Base-Base interactions energy: -1767.933 where: short stacking energy: -772.227 Base-Backbone interact. energy: -6.595 local terms energy: -812.562055 where: bonds (distance) C4'-P energy: -158.341 bonds (distance) P-C4' energy: -154.965 flat angles C4'-P-C4' energy: -171.407 flat angles P-C4'-P energy: -112.367 tors. eta vs tors. theta energy: -215.481 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: 4 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2464.625778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.625778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.625778 (E_RNA) where: Base-Base interactions energy: -1644.475 where: short stacking energy: -739.911 Base-Backbone interact. energy: -5.046 local terms energy: -815.104635 where: bonds (distance) C4'-P energy: -151.118 bonds (distance) P-C4' energy: -165.553 flat angles C4'-P-C4' energy: -182.731 flat angles P-C4'-P energy: -117.007 tors. eta vs tors. theta energy: -198.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2278.684820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.684820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.684820 (E_RNA) where: Base-Base interactions energy: -1520.724 where: short stacking energy: -668.507 Base-Backbone interact. energy: 0.034 local terms energy: -757.994404 where: bonds (distance) C4'-P energy: -149.435 bonds (distance) P-C4' energy: -151.419 flat angles C4'-P-C4' energy: -174.283 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -180.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2217.695518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.695518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.695518 (E_RNA) where: Base-Base interactions energy: -1476.823 where: short stacking energy: -682.047 Base-Backbone interact. energy: -2.734 local terms energy: -738.138517 where: bonds (distance) C4'-P energy: -146.976 bonds (distance) P-C4' energy: -148.214 flat angles C4'-P-C4' energy: -154.231 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -182.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1978.259052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.259052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.259052 (E_RNA) where: Base-Base interactions energy: -1267.965 where: short stacking energy: -565.947 Base-Backbone interact. energy: -0.629 local terms energy: -709.665780 where: bonds (distance) C4'-P energy: -139.684 bonds (distance) P-C4' energy: -160.195 flat angles C4'-P-C4' energy: -171.260 flat angles P-C4'-P energy: -93.916 tors. eta vs tors. theta energy: -144.610 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: 8, replica: 10 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1842.471470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.471470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.471470 (E_RNA) where: Base-Base interactions energy: -1212.408 where: short stacking energy: -555.343 Base-Backbone interact. energy: 3.803 local terms energy: -633.866217 where: bonds (distance) C4'-P energy: -127.459 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -148.769 flat angles P-C4'-P energy: -95.768 tors. eta vs tors. theta energy: -120.394 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: 9, replica: 2 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1395.660506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.660506 (E_RNA) where: Base-Base interactions energy: -854.398 where: short stacking energy: -410.679 Base-Backbone interact. energy: -2.146 local terms energy: -539.115776 where: bonds (distance) C4'-P energy: -133.397 bonds (distance) P-C4' energy: -126.613 flat angles C4'-P-C4' energy: -141.904 flat angles P-C4'-P energy: -76.682 tors. eta vs tors. theta energy: -60.521 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: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -901.674647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.674647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.674647 (E_RNA) where: Base-Base interactions energy: -456.397 where: short stacking energy: -248.842 Base-Backbone interact. energy: -3.903 local terms energy: -441.374274 where: bonds (distance) C4'-P energy: -131.201 bonds (distance) P-C4' energy: -135.844 flat angles C4'-P-C4' energy: -101.210 flat angles P-C4'-P energy: -80.648 tors. eta vs tors. theta energy: 7.529 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: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -2973.988108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.988108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.988108 (E_RNA) where: Base-Base interactions energy: -2049.233 where: short stacking energy: -911.785 Base-Backbone interact. energy: -5.722 local terms energy: -919.033067 where: bonds (distance) C4'-P energy: -158.216 bonds (distance) P-C4' energy: -165.318 flat angles C4'-P-C4' energy: -195.925 flat angles P-C4'-P energy: -140.865 tors. eta vs tors. theta energy: -258.710 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: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2683.596739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.596739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.596739 (E_RNA) where: Base-Base interactions energy: -1913.460 where: short stacking energy: -741.011 Base-Backbone interact. energy: 2.559 local terms energy: -772.695719 where: bonds (distance) C4'-P energy: -157.253 bonds (distance) P-C4' energy: -164.883 flat angles C4'-P-C4' energy: -179.483 flat angles P-C4'-P energy: -102.391 tors. eta vs tors. theta energy: -168.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2606.185695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.185695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.185695 (E_RNA) where: Base-Base interactions energy: -1799.682 where: short stacking energy: -800.663 Base-Backbone interact. energy: -3.490 local terms energy: -803.014317 where: bonds (distance) C4'-P energy: -159.847 bonds (distance) P-C4' energy: -164.400 flat angles C4'-P-C4' energy: -167.370 flat angles P-C4'-P energy: -100.408 tors. eta vs tors. theta energy: -210.989 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: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2397.568648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.568648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.568648 (E_RNA) where: Base-Base interactions energy: -1641.545 where: short stacking energy: -723.393 Base-Backbone interact. energy: -2.912 local terms energy: -753.112424 where: bonds (distance) C4'-P energy: -150.110 bonds (distance) P-C4' energy: -155.736 flat angles C4'-P-C4' energy: -170.332 flat angles P-C4'-P energy: -88.345 tors. eta vs tors. theta energy: -188.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2243.540586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.540586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.540586 (E_RNA) where: Base-Base interactions energy: -1501.155 where: short stacking energy: -707.601 Base-Backbone interact. energy: -4.320 local terms energy: -738.065497 where: bonds (distance) C4'-P energy: -135.118 bonds (distance) P-C4' energy: -149.873 flat angles C4'-P-C4' energy: -157.444 flat angles P-C4'-P energy: -103.646 tors. eta vs tors. theta energy: -191.985 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: 6, replica: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2188.677837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.677837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.677837 (E_RNA) where: Base-Base interactions energy: -1456.341 where: short stacking energy: -671.326 Base-Backbone interact. energy: -1.697 local terms energy: -730.639645 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -152.357 flat angles C4'-P-C4' energy: -170.222 flat angles P-C4'-P energy: -100.390 tors. eta vs tors. theta energy: -167.279 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: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1995.476039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.476039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.476039 (E_RNA) where: Base-Base interactions energy: -1322.832 where: short stacking energy: -603.454 Base-Backbone interact. energy: -0.227 local terms energy: -672.416552 where: bonds (distance) C4'-P energy: -133.156 bonds (distance) P-C4' energy: -112.293 flat angles C4'-P-C4' energy: -164.347 flat angles P-C4'-P energy: -112.386 tors. eta vs tors. theta energy: -150.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1830.328396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.328396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.328396 (E_RNA) where: Base-Base interactions energy: -1214.579 where: short stacking energy: -520.458 Base-Backbone interact. energy: -4.341 local terms energy: -611.408695 where: bonds (distance) C4'-P energy: -143.769 bonds (distance) P-C4' energy: -134.059 flat angles C4'-P-C4' energy: -132.059 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -113.409 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: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1477.781294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.781294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.781294 (E_RNA) where: Base-Base interactions energy: -918.660 where: short stacking energy: -434.603 Base-Backbone interact. energy: -0.925 local terms energy: -558.195665 where: bonds (distance) C4'-P energy: -115.114 bonds (distance) P-C4' energy: -129.793 flat angles C4'-P-C4' energy: -136.340 flat angles P-C4'-P energy: -100.271 tors. eta vs tors. theta energy: -76.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -900.276146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.276146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.276146 (E_RNA) where: Base-Base interactions energy: -475.998 where: short stacking energy: -272.095 Base-Backbone interact. energy: -4.911 local terms energy: -419.366720 where: bonds (distance) C4'-P energy: -127.706 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -59.149 tors. eta vs tors. theta energy: 6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -2977.768970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.768970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.768970 (E_RNA) where: Base-Base interactions energy: -2055.355 where: short stacking energy: -918.158 Base-Backbone interact. energy: -4.058 local terms energy: -918.355947 where: bonds (distance) C4'-P energy: -176.748 bonds (distance) P-C4' energy: -170.387 flat angles C4'-P-C4' energy: -186.157 flat angles P-C4'-P energy: -127.819 tors. eta vs tors. theta energy: -257.244 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: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2685.225490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.225490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.225490 (E_RNA) where: Base-Base interactions energy: -1902.241 where: short stacking energy: -749.689 Base-Backbone interact. energy: -2.014 local terms energy: -780.970471 where: bonds (distance) C4'-P energy: -164.010 bonds (distance) P-C4' energy: -153.010 flat angles C4'-P-C4' energy: -173.376 flat angles P-C4'-P energy: -112.285 tors. eta vs tors. theta energy: -178.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2644.382536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.382536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.382536 (E_RNA) where: Base-Base interactions energy: -1834.810 where: short stacking energy: -783.783 Base-Backbone interact. energy: -0.231 local terms energy: -809.342097 where: bonds (distance) C4'-P energy: -155.279 bonds (distance) P-C4' energy: -158.716 flat angles C4'-P-C4' energy: -170.318 flat angles P-C4'-P energy: -117.708 tors. eta vs tors. theta energy: -207.322 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: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2379.433977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.433977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.433977 (E_RNA) where: Base-Base interactions energy: -1632.216 where: short stacking energy: -734.721 Base-Backbone interact. energy: 0.503 local terms energy: -747.721055 where: bonds (distance) C4'-P energy: -139.768 bonds (distance) P-C4' energy: -144.230 flat angles C4'-P-C4' energy: -177.012 flat angles P-C4'-P energy: -101.702 tors. eta vs tors. theta energy: -185.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2334.175026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.175026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.175026 (E_RNA) where: Base-Base interactions energy: -1567.086 where: short stacking energy: -715.630 Base-Backbone interact. energy: -2.832 local terms energy: -764.256435 where: bonds (distance) C4'-P energy: -141.679 bonds (distance) P-C4' energy: -137.861 flat angles C4'-P-C4' energy: -163.092 flat angles P-C4'-P energy: -109.830 tors. eta vs tors. theta energy: -211.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2152.683717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.683717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.683717 (E_RNA) where: Base-Base interactions energy: -1462.543 where: short stacking energy: -619.090 Base-Backbone interact. energy: -4.224 local terms energy: -685.916548 where: bonds (distance) C4'-P energy: -129.647 bonds (distance) P-C4' energy: -155.523 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -101.279 tors. eta vs tors. theta energy: -152.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1964.042218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.042218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.042218 (E_RNA) where: Base-Base interactions energy: -1308.267 where: short stacking energy: -573.543 Base-Backbone interact. energy: -1.639 local terms energy: -654.136498 where: bonds (distance) C4'-P energy: -150.348 bonds (distance) P-C4' energy: -152.623 flat angles C4'-P-C4' energy: -147.310 flat angles P-C4'-P energy: -93.414 tors. eta vs tors. theta energy: -110.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1965.072735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.072735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.072735 (E_RNA) where: Base-Base interactions energy: -1298.615 where: short stacking energy: -547.469 Base-Backbone interact. energy: 0.579 local terms energy: -667.036477 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -140.395 flat angles C4'-P-C4' energy: -154.174 flat angles P-C4'-P energy: -89.659 tors. eta vs tors. theta energy: -136.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1419.884171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.884171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.884171 (E_RNA) where: Base-Base interactions energy: -891.911 where: short stacking energy: -413.999 Base-Backbone interact. energy: -1.271 local terms energy: -526.701963 where: bonds (distance) C4'-P energy: -141.757 bonds (distance) P-C4' energy: -133.287 flat angles C4'-P-C4' energy: -121.385 flat angles P-C4'-P energy: -67.931 tors. eta vs tors. theta energy: -62.341 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: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -911.161581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.161581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.161581 (E_RNA) where: Base-Base interactions energy: -490.485 where: short stacking energy: -263.067 Base-Backbone interact. energy: 11.652 local terms energy: -432.329266 where: bonds (distance) C4'-P energy: -102.098 bonds (distance) P-C4' energy: -134.287 flat angles C4'-P-C4' energy: -118.466 flat angles P-C4'-P energy: -76.372 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -2957.592931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.592931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.592931 (E_RNA) where: Base-Base interactions energy: -2073.997 where: short stacking energy: -913.781 Base-Backbone interact. energy: 3.661 local terms energy: -887.256751 where: bonds (distance) C4'-P energy: -150.050 bonds (distance) P-C4' energy: -165.174 flat angles C4'-P-C4' energy: -183.408 flat angles P-C4'-P energy: -128.961 tors. eta vs tors. theta energy: -259.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2699.802333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.802333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.802333 (E_RNA) where: Base-Base interactions energy: -1869.431 where: short stacking energy: -830.162 Base-Backbone interact. energy: -2.115 local terms energy: -828.257044 where: bonds (distance) C4'-P energy: -145.934 bonds (distance) P-C4' energy: -153.382 flat angles C4'-P-C4' energy: -177.189 flat angles P-C4'-P energy: -131.287 tors. eta vs tors. theta energy: -220.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2634.421877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.421877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.421877 (E_RNA) where: Base-Base interactions energy: -1906.950 where: short stacking energy: -752.526 Base-Backbone interact. energy: -3.604 local terms energy: -723.868407 where: bonds (distance) C4'-P energy: -148.922 bonds (distance) P-C4' energy: -107.875 flat angles C4'-P-C4' energy: -172.455 flat angles P-C4'-P energy: -122.584 tors. eta vs tors. theta energy: -172.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2433.070707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.070707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.070707 (E_RNA) where: Base-Base interactions energy: -1648.230 where: short stacking energy: -729.177 Base-Backbone interact. energy: 2.396 local terms energy: -787.237093 where: bonds (distance) C4'-P energy: -155.467 bonds (distance) P-C4' energy: -156.365 flat angles C4'-P-C4' energy: -173.178 flat angles P-C4'-P energy: -115.383 tors. eta vs tors. theta energy: -186.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2316.795020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.795020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.795020 (E_RNA) where: Base-Base interactions energy: -1549.404 where: short stacking energy: -712.065 Base-Backbone interact. energy: -3.656 local terms energy: -763.734191 where: bonds (distance) C4'-P energy: -143.588 bonds (distance) P-C4' energy: -157.376 flat angles C4'-P-C4' energy: -179.416 flat angles P-C4'-P energy: -90.799 tors. eta vs tors. theta energy: -192.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2179.147416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.147416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.147416 (E_RNA) where: Base-Base interactions energy: -1473.462 where: short stacking energy: -661.029 Base-Backbone interact. energy: -0.514 local terms energy: -705.171992 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -145.518 flat angles C4'-P-C4' energy: -173.297 flat angles P-C4'-P energy: -104.074 tors. eta vs tors. theta energy: -151.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1974.877825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.877825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.877825 (E_RNA) where: Base-Base interactions energy: -1305.427 where: short stacking energy: -568.171 Base-Backbone interact. energy: -0.204 local terms energy: -669.246961 where: bonds (distance) C4'-P energy: -147.150 bonds (distance) P-C4' energy: -128.797 flat angles C4'-P-C4' energy: -147.300 flat angles P-C4'-P energy: -111.837 tors. eta vs tors. theta energy: -134.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1929.798981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.798981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.798981 (E_RNA) where: Base-Base interactions energy: -1312.257 where: short stacking energy: -579.837 Base-Backbone interact. energy: -0.406 local terms energy: -617.135699 where: bonds (distance) C4'-P energy: -120.835 bonds (distance) P-C4' energy: -137.981 flat angles C4'-P-C4' energy: -151.584 flat angles P-C4'-P energy: -70.913 tors. eta vs tors. theta energy: -135.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1478.438140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.438140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.438140 (E_RNA) where: Base-Base interactions energy: -938.981 where: short stacking energy: -434.667 Base-Backbone interact. energy: 1.439 local terms energy: -540.895883 where: bonds (distance) C4'-P energy: -133.945 bonds (distance) P-C4' energy: -136.509 flat angles C4'-P-C4' energy: -135.712 flat angles P-C4'-P energy: -73.052 tors. eta vs tors. theta energy: -61.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -967.889082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.889082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.889082 (E_RNA) where: Base-Base interactions energy: -502.954 where: short stacking energy: -273.553 Base-Backbone interact. energy: 7.033 local terms energy: -471.968923 where: bonds (distance) C4'-P energy: -143.974 bonds (distance) P-C4' energy: -143.022 flat angles C4'-P-C4' energy: -103.512 flat angles P-C4'-P energy: -90.376 tors. eta vs tors. theta energy: 8.916 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: 148 Temperature: 0.900000 Total energy: -2961.832940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.832940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.832940 (E_RNA) where: Base-Base interactions energy: -2042.355 where: short stacking energy: -916.140 Base-Backbone interact. energy: -2.465 local terms energy: -917.012728 where: bonds (distance) C4'-P energy: -164.011 bonds (distance) P-C4' energy: -171.063 flat angles C4'-P-C4' energy: -188.301 flat angles P-C4'-P energy: -127.505 tors. eta vs tors. theta energy: -266.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2690.498708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.498708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.498708 (E_RNA) where: Base-Base interactions energy: -1868.593 where: short stacking energy: -792.131 Base-Backbone interact. energy: -5.871 local terms energy: -816.035072 where: bonds (distance) C4'-P energy: -144.527 bonds (distance) P-C4' energy: -162.957 flat angles C4'-P-C4' energy: -181.156 flat angles P-C4'-P energy: -111.575 tors. eta vs tors. theta energy: -215.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2631.118786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.118786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.118786 (E_RNA) where: Base-Base interactions energy: -1866.154 where: short stacking energy: -728.253 Base-Backbone interact. energy: -1.939 local terms energy: -763.025762 where: bonds (distance) C4'-P energy: -136.462 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -169.037 flat angles P-C4'-P energy: -120.457 tors. eta vs tors. theta energy: -179.480 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: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2452.627807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.627807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.627807 (E_RNA) where: Base-Base interactions energy: -1658.834 where: short stacking energy: -750.815 Base-Backbone interact. energy: -1.106 local terms energy: -792.688151 where: bonds (distance) C4'-P energy: -151.706 bonds (distance) P-C4' energy: -163.416 flat angles C4'-P-C4' energy: -166.564 flat angles P-C4'-P energy: -130.801 tors. eta vs tors. theta energy: -180.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2240.382459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.382459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.382459 (E_RNA) where: Base-Base interactions energy: -1516.913 where: short stacking energy: -683.648 Base-Backbone interact. energy: 0.156 local terms energy: -723.625619 where: bonds (distance) C4'-P energy: -129.714 bonds (distance) P-C4' energy: -148.429 flat angles C4'-P-C4' energy: -154.995 flat angles P-C4'-P energy: -111.637 tors. eta vs tors. theta energy: -178.850 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: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2185.844912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.844912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.844912 (E_RNA) where: Base-Base interactions energy: -1483.973 where: short stacking energy: -695.115 Base-Backbone interact. energy: -0.252 local terms energy: -701.620113 where: bonds (distance) C4'-P energy: -135.817 bonds (distance) P-C4' energy: -122.458 flat angles C4'-P-C4' energy: -163.703 flat angles P-C4'-P energy: -103.003 tors. eta vs tors. theta energy: -176.639 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: 148 Temperature: 1.200000 Total energy: -2052.775835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.775835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.775835 (E_RNA) where: Base-Base interactions energy: -1346.578 where: short stacking energy: -597.615 Base-Backbone interact. energy: 1.512 local terms energy: -707.709767 where: bonds (distance) C4'-P energy: -147.971 bonds (distance) P-C4' energy: -143.821 flat angles C4'-P-C4' energy: -156.822 flat angles P-C4'-P energy: -97.873 tors. eta vs tors. theta energy: -161.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -1964.337938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.337938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.337938 (E_RNA) where: Base-Base interactions energy: -1321.442 where: short stacking energy: -568.379 Base-Backbone interact. energy: -4.029 local terms energy: -638.866205 where: bonds (distance) C4'-P energy: -138.289 bonds (distance) P-C4' energy: -130.018 flat angles C4'-P-C4' energy: -143.644 flat angles P-C4'-P energy: -96.257 tors. eta vs tors. theta energy: -130.658 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: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1504.291886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.291886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.291886 (E_RNA) where: Base-Base interactions energy: -927.260 where: short stacking energy: -463.954 Base-Backbone interact. energy: -0.541 local terms energy: -576.491357 where: bonds (distance) C4'-P energy: -118.511 bonds (distance) P-C4' energy: -147.401 flat angles C4'-P-C4' energy: -125.810 flat angles P-C4'-P energy: -96.209 tors. eta vs tors. theta energy: -88.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -892.209251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.209251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.209251 (E_RNA) where: Base-Base interactions energy: -449.440 where: short stacking energy: -232.571 Base-Backbone interact. energy: 2.286 local terms energy: -445.055867 where: bonds (distance) C4'-P energy: -123.722 bonds (distance) P-C4' energy: -142.853 flat angles C4'-P-C4' energy: -125.532 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -2.427 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: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -2962.802458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.802458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.802458 (E_RNA) where: Base-Base interactions energy: -2061.160 where: short stacking energy: -887.360 Base-Backbone interact. energy: -4.275 local terms energy: -897.366814 where: bonds (distance) C4'-P energy: -154.098 bonds (distance) P-C4' energy: -169.853 flat angles C4'-P-C4' energy: -192.184 flat angles P-C4'-P energy: -138.871 tors. eta vs tors. theta energy: -242.360 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: 7 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2721.559810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.559810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.559810 (E_RNA) where: Base-Base interactions energy: -1892.572 where: short stacking energy: -822.052 Base-Backbone interact. energy: -4.083 local terms energy: -824.904270 where: bonds (distance) C4'-P energy: -143.343 bonds (distance) P-C4' energy: -162.777 flat angles C4'-P-C4' energy: -184.458 flat angles P-C4'-P energy: -114.122 tors. eta vs tors. theta energy: -220.205 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: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2685.114410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.114410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.114410 (E_RNA) where: Base-Base interactions energy: -1907.345 where: short stacking energy: -761.004 Base-Backbone interact. energy: -4.634 local terms energy: -773.135890 where: bonds (distance) C4'-P energy: -140.802 bonds (distance) P-C4' energy: -156.562 flat angles C4'-P-C4' energy: -176.795 flat angles P-C4'-P energy: -108.520 tors. eta vs tors. theta energy: -190.456 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: 4 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2414.595783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.595783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.595783 (E_RNA) where: Base-Base interactions energy: -1636.170 where: short stacking energy: -698.236 Base-Backbone interact. energy: -0.320 local terms energy: -778.105432 where: bonds (distance) C4'-P energy: -147.863 bonds (distance) P-C4' energy: -174.468 flat angles C4'-P-C4' energy: -168.700 flat angles P-C4'-P energy: -97.710 tors. eta vs tors. theta energy: -189.365 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: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2239.403667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.403667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.403667 (E_RNA) where: Base-Base interactions energy: -1500.842 where: short stacking energy: -675.848 Base-Backbone interact. energy: -3.115 local terms energy: -735.446896 where: bonds (distance) C4'-P energy: -155.208 bonds (distance) P-C4' energy: -152.647 flat angles C4'-P-C4' energy: -153.375 flat angles P-C4'-P energy: -109.452 tors. eta vs tors. theta energy: -164.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2171.772542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.772542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.772542 (E_RNA) where: Base-Base interactions energy: -1438.613 where: short stacking energy: -655.771 Base-Backbone interact. energy: 5.947 local terms energy: -739.106572 where: bonds (distance) C4'-P energy: -149.521 bonds (distance) P-C4' energy: -147.843 flat angles C4'-P-C4' energy: -153.780 flat angles P-C4'-P energy: -107.907 tors. eta vs tors. theta energy: -180.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2130.537635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.537635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.537635 (E_RNA) where: Base-Base interactions energy: -1440.282 where: short stacking energy: -652.566 Base-Backbone interact. energy: -2.121 local terms energy: -688.134528 where: bonds (distance) C4'-P energy: -119.861 bonds (distance) P-C4' energy: -142.888 flat angles C4'-P-C4' energy: -155.176 flat angles P-C4'-P energy: -98.264 tors. eta vs tors. theta energy: -171.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1960.482112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.482112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.482112 (E_RNA) where: Base-Base interactions energy: -1346.789 where: short stacking energy: -571.606 Base-Backbone interact. energy: -5.975 local terms energy: -607.718819 where: bonds (distance) C4'-P energy: -131.985 bonds (distance) P-C4' energy: -104.000 flat angles C4'-P-C4' energy: -149.872 flat angles P-C4'-P energy: -90.279 tors. eta vs tors. theta energy: -131.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1462.688802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.688802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.688802 (E_RNA) where: Base-Base interactions energy: -918.259 where: short stacking energy: -446.383 Base-Backbone interact. energy: 5.047 local terms energy: -549.477047 where: bonds (distance) C4'-P energy: -123.451 bonds (distance) P-C4' energy: -128.659 flat angles C4'-P-C4' energy: -134.499 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -78.882 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: 8 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -962.976684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.976684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.976684 (E_RNA) where: Base-Base interactions energy: -512.302 where: short stacking energy: -271.476 Base-Backbone interact. energy: -0.776 local terms energy: -449.898565 where: bonds (distance) C4'-P energy: -125.161 bonds (distance) P-C4' energy: -148.142 flat angles C4'-P-C4' energy: -107.296 flat angles P-C4'-P energy: -72.489 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: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -2990.992434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.992434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.992434 (E_RNA) where: Base-Base interactions energy: -2083.154 where: short stacking energy: -925.594 Base-Backbone interact. energy: -3.025 local terms energy: -904.813150 where: bonds (distance) C4'-P energy: -155.109 bonds (distance) P-C4' energy: -140.315 flat angles C4'-P-C4' energy: -194.546 flat angles P-C4'-P energy: -140.865 tors. eta vs tors. theta energy: -273.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -2715.556144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.556144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.556144 (E_RNA) where: Base-Base interactions energy: -1895.309 where: short stacking energy: -815.010 Base-Backbone interact. energy: -4.025 local terms energy: -816.222351 where: bonds (distance) C4'-P energy: -166.386 bonds (distance) P-C4' energy: -156.100 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -110.458 tors. eta vs tors. theta energy: -210.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2662.414581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.414581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.414581 (E_RNA) where: Base-Base interactions energy: -1878.354 where: short stacking energy: -731.183 Base-Backbone interact. energy: -3.705 local terms energy: -780.356289 where: bonds (distance) C4'-P energy: -155.278 bonds (distance) P-C4' energy: -151.249 flat angles C4'-P-C4' energy: -178.792 flat angles P-C4'-P energy: -114.480 tors. eta vs tors. theta energy: -180.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2420.529543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.529543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.529543 (E_RNA) where: Base-Base interactions energy: -1660.851 where: short stacking energy: -732.141 Base-Backbone interact. energy: 0.505 local terms energy: -760.183661 where: bonds (distance) C4'-P energy: -141.670 bonds (distance) P-C4' energy: -159.650 flat angles C4'-P-C4' energy: -169.306 flat angles P-C4'-P energy: -104.360 tors. eta vs tors. theta energy: -185.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2280.726547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.726547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.726547 (E_RNA) where: Base-Base interactions energy: -1535.272 where: short stacking energy: -716.221 Base-Backbone interact. energy: -2.630 local terms energy: -742.824623 where: bonds (distance) C4'-P energy: -138.464 bonds (distance) P-C4' energy: -150.209 flat angles C4'-P-C4' energy: -151.592 flat angles P-C4'-P energy: -111.703 tors. eta vs tors. theta energy: -190.857 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: 6, replica: 6 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2112.809374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.809374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.809374 (E_RNA) where: Base-Base interactions energy: -1445.785 where: short stacking energy: -670.867 Base-Backbone interact. energy: -3.372 local terms energy: -663.652326 where: bonds (distance) C4'-P energy: -137.226 bonds (distance) P-C4' energy: -117.930 flat angles C4'-P-C4' energy: -150.259 flat angles P-C4'-P energy: -101.855 tors. eta vs tors. theta energy: -156.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2100.636178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.636178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.636178 (E_RNA) where: Base-Base interactions energy: -1379.120 where: short stacking energy: -621.040 Base-Backbone interact. energy: -2.147 local terms energy: -719.369450 where: bonds (distance) C4'-P energy: -154.856 bonds (distance) P-C4' energy: -149.435 flat angles C4'-P-C4' energy: -157.758 flat angles P-C4'-P energy: -102.477 tors. eta vs tors. theta energy: -154.843 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: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1855.772198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.772198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.772198 (E_RNA) where: Base-Base interactions energy: -1260.021 where: short stacking energy: -549.030 Base-Backbone interact. energy: -5.101 local terms energy: -590.651149 where: bonds (distance) C4'-P energy: -103.664 bonds (distance) P-C4' energy: -121.768 flat angles C4'-P-C4' energy: -148.866 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -111.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1461.774246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.774246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.774246 (E_RNA) where: Base-Base interactions energy: -936.086 where: short stacking energy: -426.289 Base-Backbone interact. energy: 6.477 local terms energy: -532.164835 where: bonds (distance) C4'-P energy: -129.403 bonds (distance) P-C4' energy: -120.465 flat angles C4'-P-C4' energy: -126.302 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -80.367 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: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -920.721408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.721408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.721408 (E_RNA) where: Base-Base interactions energy: -478.521 where: short stacking energy: -275.995 Base-Backbone interact. energy: 0.695 local terms energy: -442.896237 where: bonds (distance) C4'-P energy: -145.814 bonds (distance) P-C4' energy: -127.845 flat angles C4'-P-C4' energy: -114.329 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -2982.361850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.361850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.361850 (E_RNA) where: Base-Base interactions energy: -2059.887 where: short stacking energy: -915.923 Base-Backbone interact. energy: -4.739 local terms energy: -917.736278 where: bonds (distance) C4'-P energy: -166.024 bonds (distance) P-C4' energy: -172.679 flat angles C4'-P-C4' energy: -191.141 flat angles P-C4'-P energy: -119.580 tors. eta vs tors. theta energy: -268.313 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: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -2724.314883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.314883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.314883 (E_RNA) where: Base-Base interactions energy: -1920.526 where: short stacking energy: -756.796 Base-Backbone interact. energy: -3.291 local terms energy: -800.497799 where: bonds (distance) C4'-P energy: -162.598 bonds (distance) P-C4' energy: -158.677 flat angles C4'-P-C4' energy: -179.137 flat angles P-C4'-P energy: -120.009 tors. eta vs tors. theta energy: -180.077 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: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2636.905081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.905081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.905081 (E_RNA) where: Base-Base interactions energy: -1801.315 where: short stacking energy: -787.163 Base-Backbone interact. energy: -3.129 local terms energy: -832.461859 where: bonds (distance) C4'-P energy: -171.683 bonds (distance) P-C4' energy: -165.014 flat angles C4'-P-C4' energy: -180.447 flat angles P-C4'-P energy: -112.125 tors. eta vs tors. theta energy: -203.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2394.482604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.482604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.482604 (E_RNA) where: Base-Base interactions energy: -1640.264 where: short stacking energy: -704.135 Base-Backbone interact. energy: -6.148 local terms energy: -748.070698 where: bonds (distance) C4'-P energy: -155.564 bonds (distance) P-C4' energy: -159.866 flat angles C4'-P-C4' energy: -160.164 flat angles P-C4'-P energy: -106.244 tors. eta vs tors. theta energy: -166.233 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: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2355.499768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.499768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.499768 (E_RNA) where: Base-Base interactions energy: -1603.597 where: short stacking energy: -720.452 Base-Backbone interact. energy: -3.022 local terms energy: -748.880791 where: bonds (distance) C4'-P energy: -144.457 bonds (distance) P-C4' energy: -132.668 flat angles C4'-P-C4' energy: -176.985 flat angles P-C4'-P energy: -105.213 tors. eta vs tors. theta energy: -189.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2097.507661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.507661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.507661 (E_RNA) where: Base-Base interactions energy: -1412.739 where: short stacking energy: -609.462 Base-Backbone interact. energy: 2.373 local terms energy: -687.140764 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -147.446 flat angles C4'-P-C4' energy: -157.058 flat angles P-C4'-P energy: -92.618 tors. eta vs tors. theta energy: -143.093 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: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2105.084387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.084387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.084387 (E_RNA) where: Base-Base interactions energy: -1392.839 where: short stacking energy: -620.787 Base-Backbone interact. energy: 0.919 local terms energy: -713.164379 where: bonds (distance) C4'-P energy: -160.123 bonds (distance) P-C4' energy: -156.180 flat angles C4'-P-C4' energy: -168.984 flat angles P-C4'-P energy: -73.567 tors. eta vs tors. theta energy: -154.311 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: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1919.444505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.444505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.444505 (E_RNA) where: Base-Base interactions energy: -1269.024 where: short stacking energy: -545.825 Base-Backbone interact. energy: 1.560 local terms energy: -651.979765 where: bonds (distance) C4'-P energy: -145.124 bonds (distance) P-C4' energy: -148.938 flat angles C4'-P-C4' energy: -164.130 flat angles P-C4'-P energy: -91.532 tors. eta vs tors. theta energy: -102.257 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: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1430.596330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.596330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.596330 (E_RNA) where: Base-Base interactions energy: -870.149 where: short stacking energy: -390.602 Base-Backbone interact. energy: 3.826 local terms energy: -564.273098 where: bonds (distance) C4'-P energy: -129.584 bonds (distance) P-C4' energy: -144.535 flat angles C4'-P-C4' energy: -147.521 flat angles P-C4'-P energy: -91.383 tors. eta vs tors. theta energy: -51.250 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: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -869.694839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.694839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.694839 (E_RNA) where: Base-Base interactions energy: -436.950 where: short stacking energy: -254.820 Base-Backbone interact. energy: 3.080 local terms energy: -435.825325 where: bonds (distance) C4'-P energy: -118.628 bonds (distance) P-C4' energy: -132.118 flat angles C4'-P-C4' energy: -119.380 flat angles P-C4'-P energy: -76.066 tors. eta vs tors. theta energy: 10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -2958.856920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.856920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.856920 (E_RNA) where: Base-Base interactions energy: -2058.256 where: short stacking energy: -919.038 Base-Backbone interact. energy: -4.402 local terms energy: -896.199227 where: bonds (distance) C4'-P energy: -170.063 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -200.367 flat angles P-C4'-P energy: -116.055 tors. eta vs tors. theta energy: -255.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -2746.771021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.771021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.771021 (E_RNA) where: Base-Base interactions energy: -1923.139 where: short stacking energy: -760.123 Base-Backbone interact. energy: -3.334 local terms energy: -820.297978 where: bonds (distance) C4'-P energy: -146.258 bonds (distance) P-C4' energy: -174.574 flat angles C4'-P-C4' energy: -186.548 flat angles P-C4'-P energy: -132.764 tors. eta vs tors. theta energy: -180.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2624.794859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.794859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.794859 (E_RNA) where: Base-Base interactions energy: -1808.054 where: short stacking energy: -810.381 Base-Backbone interact. energy: -1.157 local terms energy: -815.583999 where: bonds (distance) C4'-P energy: -144.568 bonds (distance) P-C4' energy: -161.829 flat angles C4'-P-C4' energy: -181.494 flat angles P-C4'-P energy: -110.116 tors. eta vs tors. theta energy: -217.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2383.670889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.670889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.670889 (E_RNA) where: Base-Base interactions energy: -1644.966 where: short stacking energy: -717.905 Base-Backbone interact. energy: -4.247 local terms energy: -734.457467 where: bonds (distance) C4'-P energy: -139.101 bonds (distance) P-C4' energy: -158.632 flat angles C4'-P-C4' energy: -169.457 flat angles P-C4'-P energy: -92.238 tors. eta vs tors. theta energy: -175.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2386.261835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.261835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.261835 (E_RNA) where: Base-Base interactions energy: -1623.127 where: short stacking energy: -741.682 Base-Backbone interact. energy: -1.354 local terms energy: -761.779969 where: bonds (distance) C4'-P energy: -148.149 bonds (distance) P-C4' energy: -138.591 flat angles C4'-P-C4' energy: -175.582 flat angles P-C4'-P energy: -102.876 tors. eta vs tors. theta energy: -196.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2165.853645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.853645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.853645 (E_RNA) where: Base-Base interactions energy: -1445.681 where: short stacking energy: -649.645 Base-Backbone interact. energy: -1.776 local terms energy: -718.397084 where: bonds (distance) C4'-P energy: -142.011 bonds (distance) P-C4' energy: -159.923 flat angles C4'-P-C4' energy: -148.489 flat angles P-C4'-P energy: -86.318 tors. eta vs tors. theta energy: -181.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2032.757541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.757541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.757541 (E_RNA) where: Base-Base interactions energy: -1367.774 where: short stacking energy: -655.144 Base-Backbone interact. energy: -1.748 local terms energy: -663.235280 where: bonds (distance) C4'-P energy: -133.740 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -145.544 flat angles P-C4'-P energy: -98.177 tors. eta vs tors. theta energy: -148.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1909.889099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.889099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.889099 (E_RNA) where: Base-Base interactions energy: -1249.830 where: short stacking energy: -522.330 Base-Backbone interact. energy: -2.181 local terms energy: -657.878006 where: bonds (distance) C4'-P energy: -146.857 bonds (distance) P-C4' energy: -139.091 flat angles C4'-P-C4' energy: -151.426 flat angles P-C4'-P energy: -102.918 tors. eta vs tors. theta energy: -117.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1503.681613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.681613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.681613 (E_RNA) where: Base-Base interactions energy: -955.985 where: short stacking energy: -427.895 Base-Backbone interact. energy: -1.597 local terms energy: -546.098812 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -140.657 flat angles C4'-P-C4' energy: -124.253 flat angles P-C4'-P energy: -74.968 tors. eta vs tors. theta energy: -70.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -886.576823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.576823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.576823 (E_RNA) where: Base-Base interactions energy: -460.497 where: short stacking energy: -288.631 Base-Backbone interact. energy: 3.319 local terms energy: -429.398778 where: bonds (distance) C4'-P energy: -132.200 bonds (distance) P-C4' energy: -126.584 flat angles C4'-P-C4' energy: -103.034 flat angles P-C4'-P energy: -65.661 tors. eta vs tors. theta energy: -1.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -2983.792022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.792022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.792022 (E_RNA) where: Base-Base interactions energy: -2080.606 where: short stacking energy: -934.922 Base-Backbone interact. energy: -3.992 local terms energy: -899.194032 where: bonds (distance) C4'-P energy: -141.885 bonds (distance) P-C4' energy: -176.175 flat angles C4'-P-C4' energy: -195.781 flat angles P-C4'-P energy: -125.083 tors. eta vs tors. theta energy: -260.271 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -2753.601077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.601077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.601077 (E_RNA) where: Base-Base interactions energy: -1960.238 where: short stacking energy: -776.328 Base-Backbone interact. energy: -7.644 local terms energy: -785.719011 where: bonds (distance) C4'-P energy: -161.159 bonds (distance) P-C4' energy: -154.841 flat angles C4'-P-C4' energy: -172.655 flat angles P-C4'-P energy: -108.500 tors. eta vs tors. theta energy: -188.565 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: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2578.817385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.817385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.817385 (E_RNA) where: Base-Base interactions energy: -1775.999 where: short stacking energy: -798.283 Base-Backbone interact. energy: -1.032 local terms energy: -801.787322 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -140.956 flat angles C4'-P-C4' energy: -173.446 flat angles P-C4'-P energy: -123.748 tors. eta vs tors. theta energy: -211.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2407.862640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.862640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.862640 (E_RNA) where: Base-Base interactions energy: -1620.900 where: short stacking energy: -773.415 Base-Backbone interact. energy: 1.310 local terms energy: -788.273485 where: bonds (distance) C4'-P energy: -146.706 bonds (distance) P-C4' energy: -143.344 flat angles C4'-P-C4' energy: -180.566 flat angles P-C4'-P energy: -116.667 tors. eta vs tors. theta energy: -200.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2299.786723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.786723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.786723 (E_RNA) where: Base-Base interactions energy: -1582.138 where: short stacking energy: -690.751 Base-Backbone interact. energy: -4.999 local terms energy: -712.649439 where: bonds (distance) C4'-P energy: -146.895 bonds (distance) P-C4' energy: -147.825 flat angles C4'-P-C4' energy: -166.388 flat angles P-C4'-P energy: -89.731 tors. eta vs tors. theta energy: -161.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2164.356974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.356974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.356974 (E_RNA) where: Base-Base interactions energy: -1443.512 where: short stacking energy: -638.148 Base-Backbone interact. energy: -0.573 local terms energy: -720.271846 where: bonds (distance) C4'-P energy: -144.604 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -154.124 flat angles P-C4'-P energy: -106.833 tors. eta vs tors. theta energy: -174.447 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: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1984.640492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.640492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.640492 (E_RNA) where: Base-Base interactions energy: -1316.444 where: short stacking energy: -592.393 Base-Backbone interact. energy: -2.279 local terms energy: -665.917635 where: bonds (distance) C4'-P energy: -142.118 bonds (distance) P-C4' energy: -153.090 flat angles C4'-P-C4' energy: -145.784 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -130.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1833.021401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.021401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.021401 (E_RNA) where: Base-Base interactions energy: -1213.768 where: short stacking energy: -505.195 Base-Backbone interact. energy: 3.762 local terms energy: -623.015744 where: bonds (distance) C4'-P energy: -134.073 bonds (distance) P-C4' energy: -140.673 flat angles C4'-P-C4' energy: -143.976 flat angles P-C4'-P energy: -92.832 tors. eta vs tors. theta energy: -111.461 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: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1552.368012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.368012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.368012 (E_RNA) where: Base-Base interactions energy: -1019.746 where: short stacking energy: -452.636 Base-Backbone interact. energy: -1.384 local terms energy: -531.237752 where: bonds (distance) C4'-P energy: -124.660 bonds (distance) P-C4' energy: -117.535 flat angles C4'-P-C4' energy: -134.496 flat angles P-C4'-P energy: -70.730 tors. eta vs tors. theta energy: -83.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -927.729966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.729966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.729966 (E_RNA) where: Base-Base interactions energy: -466.814 where: short stacking energy: -272.551 Base-Backbone interact. energy: -5.023 local terms energy: -455.893049 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -141.454 flat angles C4'-P-C4' energy: -116.901 flat angles P-C4'-P energy: -61.648 tors. eta vs tors. theta energy: -0.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -2975.535010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.535010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.535010 (E_RNA) where: Base-Base interactions energy: -2042.267 where: short stacking energy: -922.919 Base-Backbone interact. energy: -1.229 local terms energy: -932.038860 where: bonds (distance) C4'-P energy: -178.518 bonds (distance) P-C4' energy: -160.093 flat angles C4'-P-C4' energy: -194.202 flat angles P-C4'-P energy: -135.228 tors. eta vs tors. theta energy: -263.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2766.516088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.516088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.516088 (E_RNA) where: Base-Base interactions energy: -1957.155 where: short stacking energy: -781.157 Base-Backbone interact. energy: -6.478 local terms energy: -802.882884 where: bonds (distance) C4'-P energy: -146.366 bonds (distance) P-C4' energy: -162.064 flat angles C4'-P-C4' energy: -176.850 flat angles P-C4'-P energy: -123.888 tors. eta vs tors. theta energy: -193.715 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: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2598.701763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.701763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.701763 (E_RNA) where: Base-Base interactions energy: -1790.489 where: short stacking energy: -784.636 Base-Backbone interact. energy: -4.409 local terms energy: -803.803582 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -138.758 flat angles C4'-P-C4' energy: -183.039 flat angles P-C4'-P energy: -118.907 tors. eta vs tors. theta energy: -207.572 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: 5 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2484.145172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.145172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.145172 (E_RNA) where: Base-Base interactions energy: -1672.567 where: short stacking energy: -768.630 Base-Backbone interact. energy: -2.210 local terms energy: -809.367819 where: bonds (distance) C4'-P energy: -137.806 bonds (distance) P-C4' energy: -146.799 flat angles C4'-P-C4' energy: -187.250 flat angles P-C4'-P energy: -118.800 tors. eta vs tors. theta energy: -218.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2309.874160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.874160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.874160 (E_RNA) where: Base-Base interactions energy: -1593.538 where: short stacking energy: -685.388 Base-Backbone interact. energy: 3.136 local terms energy: -719.472226 where: bonds (distance) C4'-P energy: -124.981 bonds (distance) P-C4' energy: -145.913 flat angles C4'-P-C4' energy: -169.584 flat angles P-C4'-P energy: -105.846 tors. eta vs tors. theta energy: -173.149 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: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2189.399717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.399717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.399717 (E_RNA) where: Base-Base interactions energy: -1462.215 where: short stacking energy: -672.876 Base-Backbone interact. energy: -2.595 local terms energy: -724.589748 where: bonds (distance) C4'-P energy: -148.175 bonds (distance) P-C4' energy: -139.425 flat angles C4'-P-C4' energy: -161.634 flat angles P-C4'-P energy: -109.466 tors. eta vs tors. theta energy: -165.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2001.456655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.456655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.456655 (E_RNA) where: Base-Base interactions energy: -1317.158 where: short stacking energy: -576.061 Base-Backbone interact. energy: 0.477 local terms energy: -684.775425 where: bonds (distance) C4'-P energy: -143.105 bonds (distance) P-C4' energy: -158.474 flat angles C4'-P-C4' energy: -141.659 flat angles P-C4'-P energy: -99.505 tors. eta vs tors. theta energy: -142.032 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: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1885.666287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.666287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.666287 (E_RNA) where: Base-Base interactions energy: -1276.552 where: short stacking energy: -554.624 Base-Backbone interact. energy: -2.522 local terms energy: -606.592473 where: bonds (distance) C4'-P energy: -129.411 bonds (distance) P-C4' energy: -124.494 flat angles C4'-P-C4' energy: -145.090 flat angles P-C4'-P energy: -94.512 tors. eta vs tors. theta energy: -113.086 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: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1600.063728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.063728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.063728 (E_RNA) where: Base-Base interactions energy: -1031.364 where: short stacking energy: -446.469 Base-Backbone interact. energy: -4.484 local terms energy: -564.215921 where: bonds (distance) C4'-P energy: -130.783 bonds (distance) P-C4' energy: -128.996 flat angles C4'-P-C4' energy: -133.893 flat angles P-C4'-P energy: -97.379 tors. eta vs tors. theta energy: -73.164 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: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -986.681072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.681072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.681072 (E_RNA) where: Base-Base interactions energy: -522.624 where: short stacking energy: -282.402 Base-Backbone interact. energy: 1.780 local terms energy: -465.837539 where: bonds (distance) C4'-P energy: -119.716 bonds (distance) P-C4' energy: -132.555 flat angles C4'-P-C4' energy: -134.882 flat angles P-C4'-P energy: -68.263 tors. eta vs tors. theta energy: -10.422 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -2966.287648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.287648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.287648 (E_RNA) where: Base-Base interactions energy: -2055.654 where: short stacking energy: -922.351 Base-Backbone interact. energy: -1.324 local terms energy: -909.309933 where: bonds (distance) C4'-P energy: -171.083 bonds (distance) P-C4' energy: -157.718 flat angles C4'-P-C4' energy: -181.757 flat angles P-C4'-P energy: -142.601 tors. eta vs tors. theta energy: -256.151 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: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -2767.469149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.469149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.469149 (E_RNA) where: Base-Base interactions energy: -1944.686 where: short stacking energy: -783.491 Base-Backbone interact. energy: 4.674 local terms energy: -827.457521 where: bonds (distance) C4'-P energy: -161.044 bonds (distance) P-C4' energy: -166.649 flat angles C4'-P-C4' energy: -184.350 flat angles P-C4'-P energy: -110.354 tors. eta vs tors. theta energy: -205.061 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: 7 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2661.053580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.053580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.053580 (E_RNA) where: Base-Base interactions energy: -1847.065 where: short stacking energy: -796.798 Base-Backbone interact. energy: -1.050 local terms energy: -812.938668 where: bonds (distance) C4'-P energy: -145.470 bonds (distance) P-C4' energy: -156.490 flat angles C4'-P-C4' energy: -180.293 flat angles P-C4'-P energy: -114.858 tors. eta vs tors. theta energy: -215.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2474.124060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.124060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.124060 (E_RNA) where: Base-Base interactions energy: -1669.368 where: short stacking energy: -752.784 Base-Backbone interact. energy: 1.100 local terms energy: -805.856802 where: bonds (distance) C4'-P energy: -146.532 bonds (distance) P-C4' energy: -147.374 flat angles C4'-P-C4' energy: -180.337 flat angles P-C4'-P energy: -125.248 tors. eta vs tors. theta energy: -206.366 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: 155 Temperature: 1.100000 Total energy: -2337.081622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.081622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.081622 (E_RNA) where: Base-Base interactions energy: -1573.645 where: short stacking energy: -707.522 Base-Backbone interact. energy: -3.032 local terms energy: -760.403852 where: bonds (distance) C4'-P energy: -154.161 bonds (distance) P-C4' energy: -153.228 flat angles C4'-P-C4' energy: -172.544 flat angles P-C4'-P energy: -99.408 tors. eta vs tors. theta energy: -181.062 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2115.231585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.231585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.231585 (E_RNA) where: Base-Base interactions energy: -1418.709 where: short stacking energy: -649.367 Base-Backbone interact. energy: 8.541 local terms energy: -705.064204 where: bonds (distance) C4'-P energy: -142.015 bonds (distance) P-C4' energy: -160.704 flat angles C4'-P-C4' energy: -144.569 flat angles P-C4'-P energy: -83.870 tors. eta vs tors. theta energy: -173.907 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: 6 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2072.062032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.062032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.062032 (E_RNA) where: Base-Base interactions energy: -1391.081 where: short stacking energy: -616.188 Base-Backbone interact. energy: -2.463 local terms energy: -678.518531 where: bonds (distance) C4'-P energy: -125.372 bonds (distance) P-C4' energy: -137.080 flat angles C4'-P-C4' energy: -165.663 flat angles P-C4'-P energy: -94.534 tors. eta vs tors. theta energy: -155.869 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: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -1851.777412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.777412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.777412 (E_RNA) where: Base-Base interactions energy: -1274.090 where: short stacking energy: -532.198 Base-Backbone interact. energy: 0.614 local terms energy: -578.301227 where: bonds (distance) C4'-P energy: -110.928 bonds (distance) P-C4' energy: -149.830 flat angles C4'-P-C4' energy: -130.396 flat angles P-C4'-P energy: -81.403 tors. eta vs tors. theta energy: -105.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1531.836026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.836026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.836026 (E_RNA) where: Base-Base interactions energy: -963.076 where: short stacking energy: -445.007 Base-Backbone interact. energy: -1.441 local terms energy: -567.319037 where: bonds (distance) C4'-P energy: -142.428 bonds (distance) P-C4' energy: -126.769 flat angles C4'-P-C4' energy: -139.735 flat angles P-C4'-P energy: -89.162 tors. eta vs tors. theta energy: -69.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -973.704723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.704723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.704723 (E_RNA) where: Base-Base interactions energy: -525.683 where: short stacking energy: -285.353 Base-Backbone interact. energy: 14.460 local terms energy: -462.480886 where: bonds (distance) C4'-P energy: -119.104 bonds (distance) P-C4' energy: -138.645 flat angles C4'-P-C4' energy: -117.181 flat angles P-C4'-P energy: -72.460 tors. eta vs tors. theta energy: -15.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -2996.227628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.227628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.227628 (E_RNA) where: Base-Base interactions energy: -2054.884 where: short stacking energy: -934.934 Base-Backbone interact. energy: -0.959 local terms energy: -940.384602 where: bonds (distance) C4'-P energy: -166.595 bonds (distance) P-C4' energy: -173.137 flat angles C4'-P-C4' energy: -196.044 flat angles P-C4'-P energy: -130.160 tors. eta vs tors. theta energy: -274.449 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: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2747.947354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.947354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.947354 (E_RNA) where: Base-Base interactions energy: -1936.052 where: short stacking energy: -760.051 Base-Backbone interact. energy: -2.487 local terms energy: -809.408046 where: bonds (distance) C4'-P energy: -155.347 bonds (distance) P-C4' energy: -168.100 flat angles C4'-P-C4' energy: -179.556 flat angles P-C4'-P energy: -115.477 tors. eta vs tors. theta energy: -190.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2648.092592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.092592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.092592 (E_RNA) where: Base-Base interactions energy: -1833.743 where: short stacking energy: -812.082 Base-Backbone interact. energy: -3.084 local terms energy: -811.266073 where: bonds (distance) C4'-P energy: -146.523 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -177.647 flat angles P-C4'-P energy: -115.078 tors. eta vs tors. theta energy: -224.474 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: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2523.800797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.800797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.800797 (E_RNA) where: Base-Base interactions energy: -1704.812 where: short stacking energy: -750.143 Base-Backbone interact. energy: 0.270 local terms energy: -819.258584 where: bonds (distance) C4'-P energy: -137.642 bonds (distance) P-C4' energy: -166.071 flat angles C4'-P-C4' energy: -191.695 flat angles P-C4'-P energy: -103.462 tors. eta vs tors. theta energy: -220.388 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: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2284.364801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.364801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.364801 (E_RNA) where: Base-Base interactions energy: -1554.878 where: short stacking energy: -702.546 Base-Backbone interact. energy: 0.280 local terms energy: -729.767587 where: bonds (distance) C4'-P energy: -149.304 bonds (distance) P-C4' energy: -143.752 flat angles C4'-P-C4' energy: -154.846 flat angles P-C4'-P energy: -108.695 tors. eta vs tors. theta energy: -173.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2100.931278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.931278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.931278 (E_RNA) where: Base-Base interactions energy: -1379.779 where: short stacking energy: -652.784 Base-Backbone interact. energy: -0.249 local terms energy: -720.903353 where: bonds (distance) C4'-P energy: -134.372 bonds (distance) P-C4' energy: -132.835 flat angles C4'-P-C4' energy: -166.047 flat angles P-C4'-P energy: -111.544 tors. eta vs tors. theta energy: -176.106 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1946.521766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.521766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.521766 (E_RNA) where: Base-Base interactions energy: -1288.418 where: short stacking energy: -592.103 Base-Backbone interact. energy: -2.559 local terms energy: -655.544824 where: bonds (distance) C4'-P energy: -145.558 bonds (distance) P-C4' energy: -135.198 flat angles C4'-P-C4' energy: -153.061 flat angles P-C4'-P energy: -79.255 tors. eta vs tors. theta energy: -142.473 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: 156 Temperature: 1.250000 Total energy: -1970.559110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.559110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.559110 (E_RNA) where: Base-Base interactions energy: -1342.927 where: short stacking energy: -584.044 Base-Backbone interact. energy: -1.294 local terms energy: -626.337989 where: bonds (distance) C4'-P energy: -123.905 bonds (distance) P-C4' energy: -134.989 flat angles C4'-P-C4' energy: -141.007 flat angles P-C4'-P energy: -81.948 tors. eta vs tors. theta energy: -144.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1502.239660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.239660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.239660 (E_RNA) where: Base-Base interactions energy: -954.371 where: short stacking energy: -421.539 Base-Backbone interact. energy: -1.827 local terms energy: -546.040692 where: bonds (distance) C4'-P energy: -151.901 bonds (distance) P-C4' energy: -131.124 flat angles C4'-P-C4' energy: -128.202 flat angles P-C4'-P energy: -89.352 tors. eta vs tors. theta energy: -45.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -969.584348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.584348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.584348 (E_RNA) where: Base-Base interactions energy: -532.474 where: short stacking energy: -278.830 Base-Backbone interact. energy: 4.984 local terms energy: -442.094442 where: bonds (distance) C4'-P energy: -124.944 bonds (distance) P-C4' energy: -114.437 flat angles C4'-P-C4' energy: -118.467 flat angles P-C4'-P energy: -66.568 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: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -2992.852976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.852976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.852976 (E_RNA) where: Base-Base interactions energy: -2089.134 where: short stacking energy: -927.498 Base-Backbone interact. energy: -2.447 local terms energy: -901.271140 where: bonds (distance) C4'-P energy: -161.272 bonds (distance) P-C4' energy: -163.174 flat angles C4'-P-C4' energy: -187.678 flat angles P-C4'-P energy: -127.123 tors. eta vs tors. theta energy: -262.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2763.179293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.179293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.179293 (E_RNA) where: Base-Base interactions energy: -1938.465 where: short stacking energy: -775.186 Base-Backbone interact. energy: -0.563 local terms energy: -824.151113 where: bonds (distance) C4'-P energy: -148.402 bonds (distance) P-C4' energy: -176.533 flat angles C4'-P-C4' energy: -188.065 flat angles P-C4'-P energy: -115.227 tors. eta vs tors. theta energy: -195.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2649.818912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.818912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.818912 (E_RNA) where: Base-Base interactions energy: -1813.438 where: short stacking energy: -812.484 Base-Backbone interact. energy: -3.159 local terms energy: -833.221728 where: bonds (distance) C4'-P energy: -148.479 bonds (distance) P-C4' energy: -166.118 flat angles C4'-P-C4' energy: -177.391 flat angles P-C4'-P energy: -122.271 tors. eta vs tors. theta energy: -218.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2563.543694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.543694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.543694 (E_RNA) where: Base-Base interactions energy: -1752.692 where: short stacking energy: -802.529 Base-Backbone interact. energy: 0.204 local terms energy: -811.055337 where: bonds (distance) C4'-P energy: -134.834 bonds (distance) P-C4' energy: -172.610 flat angles C4'-P-C4' energy: -179.519 flat angles P-C4'-P energy: -107.712 tors. eta vs tors. theta energy: -216.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2272.960242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.960242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.960242 (E_RNA) where: Base-Base interactions energy: -1573.730 where: short stacking energy: -672.916 Base-Backbone interact. energy: 3.218 local terms energy: -702.448196 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -145.832 flat angles C4'-P-C4' energy: -162.352 flat angles P-C4'-P energy: -98.402 tors. eta vs tors. theta energy: -159.670 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: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2183.863706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.863706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.863706 (E_RNA) where: Base-Base interactions energy: -1485.067 where: short stacking energy: -685.482 Base-Backbone interact. energy: 3.163 local terms energy: -701.959803 where: bonds (distance) C4'-P energy: -124.173 bonds (distance) P-C4' energy: -145.841 flat angles C4'-P-C4' energy: -151.211 flat angles P-C4'-P energy: -101.511 tors. eta vs tors. theta energy: -179.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1936.079026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.079026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.079026 (E_RNA) where: Base-Base interactions energy: -1320.989 where: short stacking energy: -566.918 Base-Backbone interact. energy: -0.915 local terms energy: -614.175319 where: bonds (distance) C4'-P energy: -122.752 bonds (distance) P-C4' energy: -119.008 flat angles C4'-P-C4' energy: -153.777 flat angles P-C4'-P energy: -92.956 tors. eta vs tors. theta energy: -125.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1994.030386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.030386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.030386 (E_RNA) where: Base-Base interactions energy: -1321.969 where: short stacking energy: -569.404 Base-Backbone interact. energy: -3.396 local terms energy: -668.665371 where: bonds (distance) C4'-P energy: -137.446 bonds (distance) P-C4' energy: -145.016 flat angles C4'-P-C4' energy: -159.001 flat angles P-C4'-P energy: -98.810 tors. eta vs tors. theta energy: -128.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1619.013830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.013830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.013830 (E_RNA) where: Base-Base interactions energy: -1036.518 where: short stacking energy: -477.856 Base-Backbone interact. energy: -1.504 local terms energy: -580.991954 where: bonds (distance) C4'-P energy: -132.347 bonds (distance) P-C4' energy: -152.002 flat angles C4'-P-C4' energy: -129.634 flat angles P-C4'-P energy: -72.494 tors. eta vs tors. theta energy: -94.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1001.630523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.630523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.630523 (E_RNA) where: Base-Base interactions energy: -506.784 where: short stacking energy: -276.550 Base-Backbone interact. energy: -2.977 local terms energy: -491.868992 where: bonds (distance) C4'-P energy: -115.965 bonds (distance) P-C4' energy: -150.405 flat angles C4'-P-C4' energy: -121.300 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -31.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -2978.182153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.182153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.182153 (E_RNA) where: Base-Base interactions energy: -2048.527 where: short stacking energy: -901.889 Base-Backbone interact. energy: -3.542 local terms energy: -926.113237 where: bonds (distance) C4'-P energy: -171.707 bonds (distance) P-C4' energy: -162.785 flat angles C4'-P-C4' energy: -184.493 flat angles P-C4'-P energy: -131.534 tors. eta vs tors. theta energy: -275.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2745.005451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.005451 (E_RNA) where: Base-Base interactions energy: -1930.368 where: short stacking energy: -782.202 Base-Backbone interact. energy: 0.116 local terms energy: -814.754075 where: bonds (distance) C4'-P energy: -162.147 bonds (distance) P-C4' energy: -153.283 flat angles C4'-P-C4' energy: -174.876 flat angles P-C4'-P energy: -129.504 tors. eta vs tors. theta energy: -194.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2632.497751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.497751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.497751 (E_RNA) where: Base-Base interactions energy: -1778.874 where: short stacking energy: -794.559 Base-Backbone interact. energy: -7.084 local terms energy: -846.540188 where: bonds (distance) C4'-P energy: -158.597 bonds (distance) P-C4' energy: -169.987 flat angles C4'-P-C4' energy: -166.214 flat angles P-C4'-P energy: -122.789 tors. eta vs tors. theta energy: -228.953 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: 5 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2535.607840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.607840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.607840 (E_RNA) where: Base-Base interactions energy: -1725.779 where: short stacking energy: -784.606 Base-Backbone interact. energy: 0.449 local terms energy: -810.278005 where: bonds (distance) C4'-P energy: -141.562 bonds (distance) P-C4' energy: -164.026 flat angles C4'-P-C4' energy: -174.504 flat angles P-C4'-P energy: -116.426 tors. eta vs tors. theta energy: -213.760 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: 3 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2281.349070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.349070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.349070 (E_RNA) where: Base-Base interactions energy: -1498.176 where: short stacking energy: -697.160 Base-Backbone interact. energy: 0.088 local terms energy: -783.260654 where: bonds (distance) C4'-P energy: -156.779 bonds (distance) P-C4' energy: -166.580 flat angles C4'-P-C4' energy: -162.783 flat angles P-C4'-P energy: -96.422 tors. eta vs tors. theta energy: -200.697 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: 158 Temperature: 1.150000 Total energy: -2133.074249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.074249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.074249 (E_RNA) where: Base-Base interactions energy: -1460.407 where: short stacking energy: -625.937 Base-Backbone interact. energy: -5.203 local terms energy: -667.464035 where: bonds (distance) C4'-P energy: -119.996 bonds (distance) P-C4' energy: -142.406 flat angles C4'-P-C4' energy: -157.938 flat angles P-C4'-P energy: -101.128 tors. eta vs tors. theta energy: -145.997 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: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2054.015793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.015793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.015793 (E_RNA) where: Base-Base interactions energy: -1388.981 where: short stacking energy: -580.571 Base-Backbone interact. energy: -3.987 local terms energy: -661.047796 where: bonds (distance) C4'-P energy: -136.093 bonds (distance) P-C4' energy: -145.626 flat angles C4'-P-C4' energy: -155.264 flat angles P-C4'-P energy: -106.382 tors. eta vs tors. theta energy: -117.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1759.787191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.787191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.787191 (E_RNA) where: Base-Base interactions energy: -1162.584 where: short stacking energy: -504.465 Base-Backbone interact. energy: -3.999 local terms energy: -593.203890 where: bonds (distance) C4'-P energy: -142.279 bonds (distance) P-C4' energy: -153.500 flat angles C4'-P-C4' energy: -123.993 flat angles P-C4'-P energy: -69.211 tors. eta vs tors. theta energy: -104.220 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: 2 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1613.451736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.451736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.451736 (E_RNA) where: Base-Base interactions energy: -1038.491 where: short stacking energy: -450.866 Base-Backbone interact. energy: -1.010 local terms energy: -573.950734 where: bonds (distance) C4'-P energy: -124.691 bonds (distance) P-C4' energy: -156.278 flat angles C4'-P-C4' energy: -129.558 flat angles P-C4'-P energy: -79.683 tors. eta vs tors. theta energy: -83.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1035.474495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.474495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.474495 (E_RNA) where: Base-Base interactions energy: -585.501 where: short stacking energy: -311.589 Base-Backbone interact. energy: 0.540 local terms energy: -450.513508 where: bonds (distance) C4'-P energy: -116.980 bonds (distance) P-C4' energy: -134.020 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: -24.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -2979.633609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.633609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.633609 (E_RNA) where: Base-Base interactions energy: -2061.430 where: short stacking energy: -919.987 Base-Backbone interact. energy: -1.024 local terms energy: -917.179677 where: bonds (distance) C4'-P energy: -163.258 bonds (distance) P-C4' energy: -163.754 flat angles C4'-P-C4' energy: -196.064 flat angles P-C4'-P energy: -127.236 tors. eta vs tors. theta energy: -266.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -2758.798609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.798609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.798609 (E_RNA) where: Base-Base interactions energy: -1945.708 where: short stacking energy: -787.038 Base-Backbone interact. energy: -3.133 local terms energy: -809.958219 where: bonds (distance) C4'-P energy: -156.821 bonds (distance) P-C4' energy: -153.837 flat angles C4'-P-C4' energy: -177.519 flat angles P-C4'-P energy: -123.035 tors. eta vs tors. theta energy: -198.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2640.235900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.235900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.235900 (E_RNA) where: Base-Base interactions energy: -1838.381 where: short stacking energy: -807.843 Base-Backbone interact. energy: -3.296 local terms energy: -798.558655 where: bonds (distance) C4'-P energy: -158.885 bonds (distance) P-C4' energy: -151.673 flat angles C4'-P-C4' energy: -156.148 flat angles P-C4'-P energy: -114.490 tors. eta vs tors. theta energy: -217.363 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: 4, replica: 5 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2550.476713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.476713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.476713 (E_RNA) where: Base-Base interactions energy: -1758.641 where: short stacking energy: -785.117 Base-Backbone interact. energy: -1.264 local terms energy: -790.572019 where: bonds (distance) C4'-P energy: -150.172 bonds (distance) P-C4' energy: -148.731 flat angles C4'-P-C4' energy: -172.037 flat angles P-C4'-P energy: -95.654 tors. eta vs tors. theta energy: -223.978 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: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2296.369263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.369263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.369263 (E_RNA) where: Base-Base interactions energy: -1500.006 where: short stacking energy: -695.669 Base-Backbone interact. energy: -0.967 local terms energy: -795.396171 where: bonds (distance) C4'-P energy: -143.184 bonds (distance) P-C4' energy: -160.082 flat angles C4'-P-C4' energy: -183.932 flat angles P-C4'-P energy: -114.177 tors. eta vs tors. theta energy: -194.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2166.104982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.104982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.104982 (E_RNA) where: Base-Base interactions energy: -1450.683 where: short stacking energy: -624.959 Base-Backbone interact. energy: 2.248 local terms energy: -717.669705 where: bonds (distance) C4'-P energy: -130.369 bonds (distance) P-C4' energy: -177.681 flat angles C4'-P-C4' energy: -151.672 flat angles P-C4'-P energy: -106.980 tors. eta vs tors. theta energy: -150.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2036.549310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.549310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.549310 (E_RNA) where: Base-Base interactions energy: -1418.735 where: short stacking energy: -606.344 Base-Backbone interact. energy: -1.742 local terms energy: -616.072208 where: bonds (distance) C4'-P energy: -134.826 bonds (distance) P-C4' energy: -131.519 flat angles C4'-P-C4' energy: -142.334 flat angles P-C4'-P energy: -89.759 tors. eta vs tors. theta energy: -117.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1775.788466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.788466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.788466 (E_RNA) where: Base-Base interactions energy: -1187.581 where: short stacking energy: -511.947 Base-Backbone interact. energy: -3.923 local terms energy: -584.285024 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -121.444 flat angles C4'-P-C4' energy: -143.319 flat angles P-C4'-P energy: -85.017 tors. eta vs tors. theta energy: -108.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1608.556849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.556849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.556849 (E_RNA) where: Base-Base interactions energy: -1042.864 where: short stacking energy: -470.279 Base-Backbone interact. energy: -0.269 local terms energy: -565.423290 where: bonds (distance) C4'-P energy: -119.889 bonds (distance) P-C4' energy: -153.167 flat angles C4'-P-C4' energy: -134.127 flat angles P-C4'-P energy: -63.010 tors. eta vs tors. theta energy: -95.230 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: 10, replica: 8 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -995.842187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.842187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.842187 (E_RNA) where: Base-Base interactions energy: -573.399 where: short stacking energy: -318.619 Base-Backbone interact. energy: 7.071 local terms energy: -429.513838 where: bonds (distance) C4'-P energy: -117.102 bonds (distance) P-C4' energy: -131.557 flat angles C4'-P-C4' energy: -114.354 flat angles P-C4'-P energy: -42.203 tors. eta vs tors. theta energy: -24.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -2968.296711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.296711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.296711 (E_RNA) where: Base-Base interactions energy: -2061.543 where: short stacking energy: -900.752 Base-Backbone interact. energy: -0.012 local terms energy: -906.742150 where: bonds (distance) C4'-P energy: -143.818 bonds (distance) P-C4' energy: -173.891 flat angles C4'-P-C4' energy: -194.759 flat angles P-C4'-P energy: -147.641 tors. eta vs tors. theta energy: -246.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2740.173382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.173382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.173382 (E_RNA) where: Base-Base interactions energy: -1936.205 where: short stacking energy: -763.046 Base-Backbone interact. energy: -0.786 local terms energy: -803.182151 where: bonds (distance) C4'-P energy: -155.189 bonds (distance) P-C4' energy: -162.432 flat angles C4'-P-C4' energy: -172.391 flat angles P-C4'-P energy: -116.131 tors. eta vs tors. theta energy: -197.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2690.492253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.492253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.492253 (E_RNA) where: Base-Base interactions energy: -1836.082 where: short stacking energy: -809.538 Base-Backbone interact. energy: -2.457 local terms energy: -851.952397 where: bonds (distance) C4'-P energy: -158.400 bonds (distance) P-C4' energy: -146.618 flat angles C4'-P-C4' energy: -183.178 flat angles P-C4'-P energy: -126.912 tors. eta vs tors. theta energy: -236.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2551.614267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.614267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.614267 (E_RNA) where: Base-Base interactions energy: -1755.627 where: short stacking energy: -811.801 Base-Backbone interact. energy: -0.237 local terms energy: -795.750324 where: bonds (distance) C4'-P energy: -129.247 bonds (distance) P-C4' energy: -143.915 flat angles C4'-P-C4' energy: -169.798 flat angles P-C4'-P energy: -127.657 tors. eta vs tors. theta energy: -225.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2289.028179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.028179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.028179 (E_RNA) where: Base-Base interactions energy: -1503.150 where: short stacking energy: -703.686 Base-Backbone interact. energy: -2.597 local terms energy: -783.280460 where: bonds (distance) C4'-P energy: -163.210 bonds (distance) P-C4' energy: -154.653 flat angles C4'-P-C4' energy: -160.666 flat angles P-C4'-P energy: -110.968 tors. eta vs tors. theta energy: -193.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2188.601782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.601782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.601782 (E_RNA) where: Base-Base interactions energy: -1492.425 where: short stacking energy: -642.487 Base-Backbone interact. energy: 2.295 local terms energy: -698.472226 where: bonds (distance) C4'-P energy: -113.647 bonds (distance) P-C4' energy: -173.328 flat angles C4'-P-C4' energy: -164.108 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -157.462 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: 160 Temperature: 1.200000 Total energy: -2003.557808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.557808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.557808 (E_RNA) where: Base-Base interactions energy: -1346.462 where: short stacking energy: -563.510 Base-Backbone interact. energy: -1.343 local terms energy: -655.752644 where: bonds (distance) C4'-P energy: -148.387 bonds (distance) P-C4' energy: -152.420 flat angles C4'-P-C4' energy: -148.974 flat angles P-C4'-P energy: -89.420 tors. eta vs tors. theta energy: -116.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1754.614335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.614335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.614335 (E_RNA) where: Base-Base interactions energy: -1147.967 where: short stacking energy: -491.673 Base-Backbone interact. energy: -1.212 local terms energy: -605.435662 where: bonds (distance) C4'-P energy: -128.940 bonds (distance) P-C4' energy: -142.882 flat angles C4'-P-C4' energy: -155.461 flat angles P-C4'-P energy: -93.951 tors. eta vs tors. theta energy: -84.201 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: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1682.243195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.243195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.243195 (E_RNA) where: Base-Base interactions energy: -1104.120 where: short stacking energy: -514.246 Base-Backbone interact. energy: 6.471 local terms energy: -584.594157 where: bonds (distance) C4'-P energy: -125.500 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -122.633 flat angles P-C4'-P energy: -98.763 tors. eta vs tors. theta energy: -98.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -970.718454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.718454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.718454 (E_RNA) where: Base-Base interactions energy: -519.832 where: short stacking energy: -292.127 Base-Backbone interact. energy: 6.390 local terms energy: -457.276486 where: bonds (distance) C4'-P energy: -122.717 bonds (distance) P-C4' energy: -120.435 flat angles C4'-P-C4' energy: -127.653 flat angles P-C4'-P energy: -70.503 tors. eta vs tors. theta energy: -15.969 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: 161 Temperature: 0.900000 Total energy: -2959.470003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.470003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.470003 (E_RNA) where: Base-Base interactions energy: -2040.233 where: short stacking energy: -909.069 Base-Backbone interact. energy: -3.363 local terms energy: -915.873897 where: bonds (distance) C4'-P energy: -147.876 bonds (distance) P-C4' energy: -174.319 flat angles C4'-P-C4' energy: -197.017 flat angles P-C4'-P energy: -136.005 tors. eta vs tors. theta energy: -260.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2780.852468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.852468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.852468 (E_RNA) where: Base-Base interactions energy: -1998.490 where: short stacking energy: -769.158 Base-Backbone interact. energy: 2.567 local terms energy: -784.929306 where: bonds (distance) C4'-P energy: -157.015 bonds (distance) P-C4' energy: -153.313 flat angles C4'-P-C4' energy: -171.984 flat angles P-C4'-P energy: -110.586 tors. eta vs tors. theta energy: -192.031 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: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2631.728750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.728750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.728750 (E_RNA) where: Base-Base interactions energy: -1796.276 where: short stacking energy: -797.963 Base-Backbone interact. energy: -1.117 local terms energy: -834.336122 where: bonds (distance) C4'-P energy: -155.010 bonds (distance) P-C4' energy: -170.075 flat angles C4'-P-C4' energy: -172.854 flat angles P-C4'-P energy: -116.172 tors. eta vs tors. theta energy: -220.226 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: 5 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2610.612228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.612228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.612228 (E_RNA) where: Base-Base interactions energy: -1771.616 where: short stacking energy: -810.681 Base-Backbone interact. energy: -1.588 local terms energy: -837.408259 where: bonds (distance) C4'-P energy: -156.747 bonds (distance) P-C4' energy: -165.179 flat angles C4'-P-C4' energy: -174.355 flat angles P-C4'-P energy: -116.022 tors. eta vs tors. theta energy: -225.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2275.732965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.732965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.732965 (E_RNA) where: Base-Base interactions energy: -1508.762 where: short stacking energy: -709.694 Base-Backbone interact. energy: -2.846 local terms energy: -764.125349 where: bonds (distance) C4'-P energy: -156.826 bonds (distance) P-C4' energy: -150.462 flat angles C4'-P-C4' energy: -151.077 flat angles P-C4'-P energy: -126.825 tors. eta vs tors. theta energy: -178.936 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: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2202.281525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.281525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.281525 (E_RNA) where: Base-Base interactions energy: -1485.137 where: short stacking energy: -638.615 Base-Backbone interact. energy: -3.505 local terms energy: -713.639635 where: bonds (distance) C4'-P energy: -126.386 bonds (distance) P-C4' energy: -158.997 flat angles C4'-P-C4' energy: -169.232 flat angles P-C4'-P energy: -96.512 tors. eta vs tors. theta energy: -162.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1991.721243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.721243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.721243 (E_RNA) where: Base-Base interactions energy: -1352.629 where: short stacking energy: -578.098 Base-Backbone interact. energy: 1.298 local terms energy: -640.390585 where: bonds (distance) C4'-P energy: -125.819 bonds (distance) P-C4' energy: -137.359 flat angles C4'-P-C4' energy: -148.382 flat angles P-C4'-P energy: -95.845 tors. eta vs tors. theta energy: -132.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1744.095673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.095673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.095673 (E_RNA) where: Base-Base interactions energy: -1139.049 where: short stacking energy: -495.265 Base-Backbone interact. energy: 2.373 local terms energy: -607.419265 where: bonds (distance) C4'-P energy: -150.331 bonds (distance) P-C4' energy: -147.170 flat angles C4'-P-C4' energy: -126.568 flat angles P-C4'-P energy: -74.958 tors. eta vs tors. theta energy: -108.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1610.099269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.099269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.099269 (E_RNA) where: Base-Base interactions energy: -1020.761 where: short stacking energy: -458.762 Base-Backbone interact. energy: 2.592 local terms energy: -591.930341 where: bonds (distance) C4'-P energy: -135.417 bonds (distance) P-C4' energy: -150.361 flat angles C4'-P-C4' energy: -139.650 flat angles P-C4'-P energy: -70.857 tors. eta vs tors. theta energy: -95.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1022.041182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.041182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.041182 (E_RNA) where: Base-Base interactions energy: -543.807 where: short stacking energy: -317.301 Base-Backbone interact. energy: 0.506 local terms energy: -478.739771 where: bonds (distance) C4'-P energy: -134.834 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -120.239 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -39.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3001.158359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.158359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.158359 (E_RNA) where: Base-Base interactions energy: -2090.365 where: short stacking energy: -888.446 Base-Backbone interact. energy: -4.582 local terms energy: -906.211904 where: bonds (distance) C4'-P energy: -171.123 bonds (distance) P-C4' energy: -168.025 flat angles C4'-P-C4' energy: -186.540 flat angles P-C4'-P energy: -123.672 tors. eta vs tors. theta energy: -256.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2747.777505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.777505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.777505 (E_RNA) where: Base-Base interactions energy: -1957.044 where: short stacking energy: -784.816 Base-Backbone interact. energy: -5.445 local terms energy: -785.288693 where: bonds (distance) C4'-P energy: -155.566 bonds (distance) P-C4' energy: -164.406 flat angles C4'-P-C4' energy: -177.507 flat angles P-C4'-P energy: -89.404 tors. eta vs tors. theta energy: -198.405 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: 7 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2617.422587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.422587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.422587 (E_RNA) where: Base-Base interactions energy: -1826.783 where: short stacking energy: -814.591 Base-Backbone interact. energy: 7.012 local terms energy: -797.651662 where: bonds (distance) C4'-P energy: -133.538 bonds (distance) P-C4' energy: -161.814 flat angles C4'-P-C4' energy: -164.320 flat angles P-C4'-P energy: -129.403 tors. eta vs tors. theta energy: -208.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2536.380583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.380583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.380583 (E_RNA) where: Base-Base interactions energy: -1726.202 where: short stacking energy: -783.909 Base-Backbone interact. energy: 3.546 local terms energy: -813.725229 where: bonds (distance) C4'-P energy: -161.368 bonds (distance) P-C4' energy: -150.668 flat angles C4'-P-C4' energy: -176.511 flat angles P-C4'-P energy: -102.702 tors. eta vs tors. theta energy: -222.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2252.335456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.335456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.335456 (E_RNA) where: Base-Base interactions energy: -1553.336 where: short stacking energy: -709.441 Base-Backbone interact. energy: 2.884 local terms energy: -701.883384 where: bonds (distance) C4'-P energy: -120.627 bonds (distance) P-C4' energy: -125.064 flat angles C4'-P-C4' energy: -157.659 flat angles P-C4'-P energy: -111.658 tors. eta vs tors. theta energy: -186.875 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: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2204.087264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.087264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.087264 (E_RNA) where: Base-Base interactions energy: -1534.964 where: short stacking energy: -659.312 Base-Backbone interact. energy: -3.472 local terms energy: -665.651040 where: bonds (distance) C4'-P energy: -120.965 bonds (distance) P-C4' energy: -140.232 flat angles C4'-P-C4' energy: -141.952 flat angles P-C4'-P energy: -105.738 tors. eta vs tors. theta energy: -156.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1950.440974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.440974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.440974 (E_RNA) where: Base-Base interactions energy: -1332.062 where: short stacking energy: -554.379 Base-Backbone interact. energy: 1.477 local terms energy: -619.855752 where: bonds (distance) C4'-P energy: -130.425 bonds (distance) P-C4' energy: -144.351 flat angles C4'-P-C4' energy: -136.325 flat angles P-C4'-P energy: -84.496 tors. eta vs tors. theta energy: -124.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1700.247304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.247304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.247304 (E_RNA) where: Base-Base interactions energy: -1094.212 where: short stacking energy: -487.545 Base-Backbone interact. energy: 6.506 local terms energy: -612.540824 where: bonds (distance) C4'-P energy: -131.579 bonds (distance) P-C4' energy: -140.905 flat angles C4'-P-C4' energy: -141.246 flat angles P-C4'-P energy: -80.179 tors. eta vs tors. theta energy: -118.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1546.105924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.105924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.105924 (E_RNA) where: Base-Base interactions energy: -1016.533 where: short stacking energy: -484.599 Base-Backbone interact. energy: 4.923 local terms energy: -534.496650 where: bonds (distance) C4'-P energy: -137.821 bonds (distance) P-C4' energy: -134.126 flat angles C4'-P-C4' energy: -97.896 flat angles P-C4'-P energy: -80.790 tors. eta vs tors. theta energy: -83.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -998.348881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.348881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.348881 (E_RNA) where: Base-Base interactions energy: -519.208 where: short stacking energy: -283.213 Base-Backbone interact. energy: 1.901 local terms energy: -481.041034 where: bonds (distance) C4'-P energy: -118.048 bonds (distance) P-C4' energy: -132.937 flat angles C4'-P-C4' energy: -123.145 flat angles P-C4'-P energy: -81.654 tors. eta vs tors. theta energy: -25.256 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -2997.680608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.680608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.680608 (E_RNA) where: Base-Base interactions energy: -2064.308 where: short stacking energy: -916.298 Base-Backbone interact. energy: -2.819 local terms energy: -930.553870 where: bonds (distance) C4'-P energy: -168.900 bonds (distance) P-C4' energy: -173.594 flat angles C4'-P-C4' energy: -192.634 flat angles P-C4'-P energy: -135.598 tors. eta vs tors. theta energy: -259.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2762.618176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.618176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.618176 (E_RNA) where: Base-Base interactions energy: -1949.854 where: short stacking energy: -764.115 Base-Backbone interact. energy: -5.064 local terms energy: -807.699804 where: bonds (distance) C4'-P energy: -175.372 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -182.318 flat angles P-C4'-P energy: -115.645 tors. eta vs tors. theta energy: -181.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2693.139088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.139088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.139088 (E_RNA) where: Base-Base interactions energy: -1878.493 where: short stacking energy: -819.497 Base-Backbone interact. energy: -4.001 local terms energy: -810.644494 where: bonds (distance) C4'-P energy: -146.009 bonds (distance) P-C4' energy: -150.486 flat angles C4'-P-C4' energy: -180.090 flat angles P-C4'-P energy: -113.268 tors. eta vs tors. theta energy: -220.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2573.137851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.137851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.137851 (E_RNA) where: Base-Base interactions energy: -1747.541 where: short stacking energy: -815.768 Base-Backbone interact. energy: 1.828 local terms energy: -827.424555 where: bonds (distance) C4'-P energy: -171.875 bonds (distance) P-C4' energy: -142.924 flat angles C4'-P-C4' energy: -182.697 flat angles P-C4'-P energy: -106.044 tors. eta vs tors. theta energy: -223.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2305.004998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.004998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.004998 (E_RNA) where: Base-Base interactions energy: -1557.720 where: short stacking energy: -680.312 Base-Backbone interact. energy: -3.752 local terms energy: -743.532136 where: bonds (distance) C4'-P energy: -147.092 bonds (distance) P-C4' energy: -135.652 flat angles C4'-P-C4' energy: -163.593 flat angles P-C4'-P energy: -98.127 tors. eta vs tors. theta energy: -199.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2241.869248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.869248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.869248 (E_RNA) where: Base-Base interactions energy: -1535.070 where: short stacking energy: -646.634 Base-Backbone interact. energy: -3.106 local terms energy: -703.693747 where: bonds (distance) C4'-P energy: -126.919 bonds (distance) P-C4' energy: -146.848 flat angles C4'-P-C4' energy: -162.885 flat angles P-C4'-P energy: -92.702 tors. eta vs tors. theta energy: -174.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1902.039101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.039101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.039101 (E_RNA) where: Base-Base interactions energy: -1294.333 where: short stacking energy: -539.168 Base-Backbone interact. energy: 4.642 local terms energy: -612.348635 where: bonds (distance) C4'-P energy: -145.290 bonds (distance) P-C4' energy: -128.785 flat angles C4'-P-C4' energy: -149.156 flat angles P-C4'-P energy: -92.637 tors. eta vs tors. theta energy: -96.481 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: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1648.545303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.545303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.545303 (E_RNA) where: Base-Base interactions energy: -1057.016 where: short stacking energy: -476.174 Base-Backbone interact. energy: -3.310 local terms energy: -588.219622 where: bonds (distance) C4'-P energy: -127.766 bonds (distance) P-C4' energy: -129.589 flat angles C4'-P-C4' energy: -131.514 flat angles P-C4'-P energy: -97.924 tors. eta vs tors. theta energy: -101.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1634.231256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.231256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.231256 (E_RNA) where: Base-Base interactions energy: -1036.944 where: short stacking energy: -465.097 Base-Backbone interact. energy: 1.483 local terms energy: -598.770064 where: bonds (distance) C4'-P energy: -139.481 bonds (distance) P-C4' energy: -153.141 flat angles C4'-P-C4' energy: -125.982 flat angles P-C4'-P energy: -99.286 tors. eta vs tors. theta energy: -80.878 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: 163 Temperature: 1.350000 Total energy: -983.701535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.701535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.701535 (E_RNA) where: Base-Base interactions energy: -520.286 where: short stacking energy: -285.554 Base-Backbone interact. energy: -4.075 local terms energy: -459.341021 where: bonds (distance) C4'-P energy: -136.635 bonds (distance) P-C4' energy: -135.014 flat angles C4'-P-C4' energy: -120.644 flat angles P-C4'-P energy: -72.748 tors. eta vs tors. theta energy: 5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -2995.907256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.907256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.907256 (E_RNA) where: Base-Base interactions energy: -2083.506 where: short stacking energy: -914.818 Base-Backbone interact. energy: 1.030 local terms energy: -913.430465 where: bonds (distance) C4'-P energy: -159.716 bonds (distance) P-C4' energy: -156.953 flat angles C4'-P-C4' energy: -198.335 flat angles P-C4'-P energy: -130.033 tors. eta vs tors. theta energy: -268.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2765.246976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.246976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.246976 (E_RNA) where: Base-Base interactions energy: -1944.131 where: short stacking energy: -779.184 Base-Backbone interact. energy: -3.048 local terms energy: -818.068275 where: bonds (distance) C4'-P energy: -153.713 bonds (distance) P-C4' energy: -177.103 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -186.536 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: 7 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2686.793380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.793380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.793380 (E_RNA) where: Base-Base interactions energy: -1843.574 where: short stacking energy: -799.259 Base-Backbone interact. energy: -2.400 local terms energy: -840.819152 where: bonds (distance) C4'-P energy: -167.679 bonds (distance) P-C4' energy: -160.818 flat angles C4'-P-C4' energy: -186.184 flat angles P-C4'-P energy: -120.315 tors. eta vs tors. theta energy: -205.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2495.365142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.365142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.365142 (E_RNA) where: Base-Base interactions energy: -1693.184 where: short stacking energy: -766.095 Base-Backbone interact. energy: -2.618 local terms energy: -799.563471 where: bonds (distance) C4'-P energy: -149.736 bonds (distance) P-C4' energy: -142.162 flat angles C4'-P-C4' energy: -186.619 flat angles P-C4'-P energy: -121.579 tors. eta vs tors. theta energy: -199.468 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2324.090060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.090060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.090060 (E_RNA) where: Base-Base interactions energy: -1520.538 where: short stacking energy: -730.243 Base-Backbone interact. energy: -4.516 local terms energy: -799.035891 where: bonds (distance) C4'-P energy: -129.407 bonds (distance) P-C4' energy: -159.385 flat angles C4'-P-C4' energy: -170.049 flat angles P-C4'-P energy: -124.732 tors. eta vs tors. theta energy: -215.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2299.559534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.559534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.559534 (E_RNA) where: Base-Base interactions energy: -1560.157 where: short stacking energy: -680.060 Base-Backbone interact. energy: -1.293 local terms energy: -738.110362 where: bonds (distance) C4'-P energy: -153.659 bonds (distance) P-C4' energy: -146.633 flat angles C4'-P-C4' energy: -167.969 flat angles P-C4'-P energy: -101.465 tors. eta vs tors. theta energy: -168.385 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: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1868.167708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.167708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.167708 (E_RNA) where: Base-Base interactions energy: -1251.803 where: short stacking energy: -563.894 Base-Backbone interact. energy: 2.872 local terms energy: -619.236516 where: bonds (distance) C4'-P energy: -128.483 bonds (distance) P-C4' energy: -147.462 flat angles C4'-P-C4' energy: -137.493 flat angles P-C4'-P energy: -88.020 tors. eta vs tors. theta energy: -117.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1625.997735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.997735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.997735 (E_RNA) where: Base-Base interactions energy: -995.331 where: short stacking energy: -484.604 Base-Backbone interact. energy: 3.168 local terms energy: -633.834417 where: bonds (distance) C4'-P energy: -135.634 bonds (distance) P-C4' energy: -146.539 flat angles C4'-P-C4' energy: -157.780 flat angles P-C4'-P energy: -92.794 tors. eta vs tors. theta energy: -101.088 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: 2 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1657.873877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.873877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.873877 (E_RNA) where: Base-Base interactions energy: -1099.601 where: short stacking energy: -501.692 Base-Backbone interact. energy: -3.559 local terms energy: -554.713442 where: bonds (distance) C4'-P energy: -104.578 bonds (distance) P-C4' energy: -140.526 flat angles C4'-P-C4' energy: -135.139 flat angles P-C4'-P energy: -79.743 tors. eta vs tors. theta energy: -94.727 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: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1024.891601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.891601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.891601 (E_RNA) where: Base-Base interactions energy: -565.343 where: short stacking energy: -305.855 Base-Backbone interact. energy: -3.453 local terms energy: -456.096180 where: bonds (distance) C4'-P energy: -124.009 bonds (distance) P-C4' energy: -129.672 flat angles C4'-P-C4' energy: -114.704 flat angles P-C4'-P energy: -63.287 tors. eta vs tors. theta energy: -24.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3028.248805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.248805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.248805 (E_RNA) where: Base-Base interactions energy: -2111.874 where: short stacking energy: -932.591 Base-Backbone interact. energy: -3.068 local terms energy: -913.306904 where: bonds (distance) C4'-P energy: -170.789 bonds (distance) P-C4' energy: -158.935 flat angles C4'-P-C4' energy: -190.482 flat angles P-C4'-P energy: -123.658 tors. eta vs tors. theta energy: -269.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2795.741513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.741513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.741513 (E_RNA) where: Base-Base interactions energy: -1974.051 where: short stacking energy: -771.170 Base-Backbone interact. energy: -1.503 local terms energy: -820.187747 where: bonds (distance) C4'-P energy: -152.923 bonds (distance) P-C4' energy: -157.570 flat angles C4'-P-C4' energy: -188.022 flat angles P-C4'-P energy: -119.752 tors. eta vs tors. theta energy: -201.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2699.993261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.993261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.993261 (E_RNA) where: Base-Base interactions energy: -1888.389 where: short stacking energy: -879.261 Base-Backbone interact. energy: -0.631 local terms energy: -810.972525 where: bonds (distance) C4'-P energy: -138.627 bonds (distance) P-C4' energy: -145.759 flat angles C4'-P-C4' energy: -179.386 flat angles P-C4'-P energy: -112.039 tors. eta vs tors. theta energy: -235.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2572.171221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.171221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.171221 (E_RNA) where: Base-Base interactions energy: -1757.573 where: short stacking energy: -778.030 Base-Backbone interact. energy: -0.941 local terms energy: -813.657744 where: bonds (distance) C4'-P energy: -147.341 bonds (distance) P-C4' energy: -158.209 flat angles C4'-P-C4' energy: -173.785 flat angles P-C4'-P energy: -121.089 tors. eta vs tors. theta energy: -213.233 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: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2325.686695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.686695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.686695 (E_RNA) where: Base-Base interactions energy: -1551.546 where: short stacking energy: -730.147 Base-Backbone interact. energy: 0.310 local terms energy: -774.450153 where: bonds (distance) C4'-P energy: -153.359 bonds (distance) P-C4' energy: -150.144 flat angles C4'-P-C4' energy: -161.059 flat angles P-C4'-P energy: -111.485 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: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2282.611341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.611341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.611341 (E_RNA) where: Base-Base interactions energy: -1571.529 where: short stacking energy: -676.273 Base-Backbone interact. energy: -3.707 local terms energy: -707.375873 where: bonds (distance) C4'-P energy: -118.596 bonds (distance) P-C4' energy: -157.976 flat angles C4'-P-C4' energy: -154.618 flat angles P-C4'-P energy: -101.377 tors. eta vs tors. theta energy: -174.809 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: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1923.737154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.737154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.737154 (E_RNA) where: Base-Base interactions energy: -1298.954 where: short stacking energy: -590.435 Base-Backbone interact. energy: -2.118 local terms energy: -622.665394 where: bonds (distance) C4'-P energy: -133.806 bonds (distance) P-C4' energy: -128.443 flat angles C4'-P-C4' energy: -152.930 flat angles P-C4'-P energy: -85.358 tors. eta vs tors. theta energy: -122.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1643.339546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.339546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.339546 (E_RNA) where: Base-Base interactions energy: -1038.195 where: short stacking energy: -503.474 Base-Backbone interact. energy: -1.862 local terms energy: -603.282679 where: bonds (distance) C4'-P energy: -153.332 bonds (distance) P-C4' energy: -133.184 flat angles C4'-P-C4' energy: -138.539 flat angles P-C4'-P energy: -69.157 tors. eta vs tors. theta energy: -109.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1546.965278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.965278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.965278 (E_RNA) where: Base-Base interactions energy: -1006.499 where: short stacking energy: -469.753 Base-Backbone interact. energy: 1.514 local terms energy: -541.979673 where: bonds (distance) C4'-P energy: -113.993 bonds (distance) P-C4' energy: -138.077 flat angles C4'-P-C4' energy: -133.677 flat angles P-C4'-P energy: -77.330 tors. eta vs tors. theta energy: -78.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1039.339015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.339015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.339015 (E_RNA) where: Base-Base interactions energy: -569.552 where: short stacking energy: -311.409 Base-Backbone interact. energy: -1.560 local terms energy: -468.226466 where: bonds (distance) C4'-P energy: -118.978 bonds (distance) P-C4' energy: -127.519 flat angles C4'-P-C4' energy: -126.303 flat angles P-C4'-P energy: -58.665 tors. eta vs tors. theta energy: -36.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3016.362499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.362499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.362499 (E_RNA) where: Base-Base interactions energy: -2094.853 where: short stacking energy: -917.297 Base-Backbone interact. energy: -2.586 local terms energy: -918.923279 where: bonds (distance) C4'-P energy: -180.853 bonds (distance) P-C4' energy: -156.112 flat angles C4'-P-C4' energy: -180.979 flat angles P-C4'-P energy: -134.046 tors. eta vs tors. theta energy: -266.933 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: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2760.096154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.096154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.096154 (E_RNA) where: Base-Base interactions energy: -1959.415 where: short stacking energy: -768.426 Base-Backbone interact. energy: 1.333 local terms energy: -802.013578 where: bonds (distance) C4'-P energy: -149.504 bonds (distance) P-C4' energy: -164.421 flat angles C4'-P-C4' energy: -180.411 flat angles P-C4'-P energy: -115.740 tors. eta vs tors. theta energy: -191.937 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2626.243207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.243207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.243207 (E_RNA) where: Base-Base interactions energy: -1769.560 where: short stacking energy: -807.019 Base-Backbone interact. energy: -4.029 local terms energy: -852.653275 where: bonds (distance) C4'-P energy: -173.670 bonds (distance) P-C4' energy: -145.913 flat angles C4'-P-C4' energy: -186.070 flat angles P-C4'-P energy: -119.281 tors. eta vs tors. theta energy: -227.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2549.317663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.317663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.317663 (E_RNA) where: Base-Base interactions energy: -1765.197 where: short stacking energy: -788.873 Base-Backbone interact. energy: -3.948 local terms energy: -780.173348 where: bonds (distance) C4'-P energy: -136.004 bonds (distance) P-C4' energy: -138.557 flat angles C4'-P-C4' energy: -167.110 flat angles P-C4'-P energy: -124.444 tors. eta vs tors. theta energy: -214.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2382.514869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.514869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.514869 (E_RNA) where: Base-Base interactions energy: -1607.531 where: short stacking energy: -721.654 Base-Backbone interact. energy: -2.631 local terms energy: -772.353329 where: bonds (distance) C4'-P energy: -142.893 bonds (distance) P-C4' energy: -150.618 flat angles C4'-P-C4' energy: -177.415 flat angles P-C4'-P energy: -101.058 tors. eta vs tors. theta energy: -200.369 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: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2270.375256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.375256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.375256 (E_RNA) where: Base-Base interactions energy: -1557.737 where: short stacking energy: -676.167 Base-Backbone interact. energy: 1.274 local terms energy: -713.912146 where: bonds (distance) C4'-P energy: -145.775 bonds (distance) P-C4' energy: -138.257 flat angles C4'-P-C4' energy: -157.290 flat angles P-C4'-P energy: -106.586 tors. eta vs tors. theta energy: -166.004 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: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1862.093112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.093112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.093112 (E_RNA) where: Base-Base interactions energy: -1237.908 where: short stacking energy: -577.280 Base-Backbone interact. energy: -2.192 local terms energy: -621.993256 where: bonds (distance) C4'-P energy: -106.100 bonds (distance) P-C4' energy: -159.084 flat angles C4'-P-C4' energy: -156.182 flat angles P-C4'-P energy: -88.444 tors. eta vs tors. theta energy: -112.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1666.477694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.477694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.477694 (E_RNA) where: Base-Base interactions energy: -1047.684 where: short stacking energy: -495.229 Base-Backbone interact. energy: -1.512 local terms energy: -617.281757 where: bonds (distance) C4'-P energy: -144.760 bonds (distance) P-C4' energy: -154.408 flat angles C4'-P-C4' energy: -140.217 flat angles P-C4'-P energy: -71.742 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: 9, replica: 2 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1550.420863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.420863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.420863 (E_RNA) where: Base-Base interactions energy: -991.788 where: short stacking energy: -439.505 Base-Backbone interact. energy: -3.740 local terms energy: -554.892491 where: bonds (distance) C4'-P energy: -129.597 bonds (distance) P-C4' energy: -142.330 flat angles C4'-P-C4' energy: -132.717 flat angles P-C4'-P energy: -81.810 tors. eta vs tors. theta energy: -68.439 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: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1022.764716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.764716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.764716 (E_RNA) where: Base-Base interactions energy: -584.593 where: short stacking energy: -317.273 Base-Backbone interact. energy: 3.518 local terms energy: -441.689425 where: bonds (distance) C4'-P energy: -106.903 bonds (distance) P-C4' energy: -135.970 flat angles C4'-P-C4' energy: -120.513 flat angles P-C4'-P energy: -69.802 tors. eta vs tors. theta energy: -8.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3000.785255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.785255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.785255 (E_RNA) where: Base-Base interactions energy: -2064.220 where: short stacking energy: -930.863 Base-Backbone interact. energy: -3.197 local terms energy: -933.368833 where: bonds (distance) C4'-P energy: -168.163 bonds (distance) P-C4' energy: -172.385 flat angles C4'-P-C4' energy: -192.944 flat angles P-C4'-P energy: -135.246 tors. eta vs tors. theta energy: -264.631 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: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2733.926918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.926918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.926918 (E_RNA) where: Base-Base interactions energy: -1913.671 where: short stacking energy: -763.937 Base-Backbone interact. energy: -5.894 local terms energy: -814.362009 where: bonds (distance) C4'-P energy: -157.444 bonds (distance) P-C4' energy: -171.961 flat angles C4'-P-C4' energy: -177.790 flat angles P-C4'-P energy: -112.468 tors. eta vs tors. theta energy: -194.699 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: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2652.744588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.744588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.744588 (E_RNA) where: Base-Base interactions energy: -1806.268 where: short stacking energy: -824.936 Base-Backbone interact. energy: -3.062 local terms energy: -843.414727 where: bonds (distance) C4'-P energy: -151.237 bonds (distance) P-C4' energy: -163.657 flat angles C4'-P-C4' energy: -181.450 flat angles P-C4'-P energy: -112.535 tors. eta vs tors. theta energy: -234.536 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: 4, replica: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2577.257093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.257093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.257093 (E_RNA) where: Base-Base interactions energy: -1758.118 where: short stacking energy: -771.399 Base-Backbone interact. energy: -5.779 local terms energy: -813.360237 where: bonds (distance) C4'-P energy: -153.147 bonds (distance) P-C4' energy: -156.737 flat angles C4'-P-C4' energy: -168.347 flat angles P-C4'-P energy: -118.175 tors. eta vs tors. theta energy: -216.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2316.828704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.828704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.828704 (E_RNA) where: Base-Base interactions energy: -1598.742 where: short stacking energy: -715.914 Base-Backbone interact. energy: 1.406 local terms energy: -719.493123 where: bonds (distance) C4'-P energy: -150.001 bonds (distance) P-C4' energy: -137.986 flat angles C4'-P-C4' energy: -166.421 flat angles P-C4'-P energy: -83.298 tors. eta vs tors. theta energy: -181.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2226.368686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.368686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.368686 (E_RNA) where: Base-Base interactions energy: -1500.370 where: short stacking energy: -654.479 Base-Backbone interact. energy: 1.567 local terms energy: -727.566186 where: bonds (distance) C4'-P energy: -151.793 bonds (distance) P-C4' energy: -147.489 flat angles C4'-P-C4' energy: -177.966 flat angles P-C4'-P energy: -96.642 tors. eta vs tors. theta energy: -153.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1875.605619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.605619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.605619 (E_RNA) where: Base-Base interactions energy: -1233.997 where: short stacking energy: -543.495 Base-Backbone interact. energy: -0.647 local terms energy: -640.961547 where: bonds (distance) C4'-P energy: -141.409 bonds (distance) P-C4' energy: -140.873 flat angles C4'-P-C4' energy: -160.203 flat angles P-C4'-P energy: -93.512 tors. eta vs tors. theta energy: -104.965 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: 2 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1646.610752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.610752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.610752 (E_RNA) where: Base-Base interactions energy: -1081.214 where: short stacking energy: -461.581 Base-Backbone interact. energy: -4.355 local terms energy: -561.041740 where: bonds (distance) C4'-P energy: -117.598 bonds (distance) P-C4' energy: -131.514 flat angles C4'-P-C4' energy: -128.828 flat angles P-C4'-P energy: -93.081 tors. eta vs tors. theta energy: -90.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1513.727330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.727330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.727330 (E_RNA) where: Base-Base interactions energy: -933.535 where: short stacking energy: -446.470 Base-Backbone interact. energy: -1.986 local terms energy: -578.206480 where: bonds (distance) C4'-P energy: -131.222 bonds (distance) P-C4' energy: -139.095 flat angles C4'-P-C4' energy: -140.687 flat angles P-C4'-P energy: -88.856 tors. eta vs tors. theta energy: -78.347 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: 167 Temperature: 1.350000 Total energy: -985.462527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.462527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.462527 (E_RNA) where: Base-Base interactions energy: -501.963 where: short stacking energy: -255.321 Base-Backbone interact. energy: -0.863 local terms energy: -482.636556 where: bonds (distance) C4'-P energy: -120.920 bonds (distance) P-C4' energy: -158.584 flat angles C4'-P-C4' energy: -111.378 flat angles P-C4'-P energy: -77.476 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -2981.601061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.601061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.601061 (E_RNA) where: Base-Base interactions energy: -2060.295 where: short stacking energy: -916.083 Base-Backbone interact. energy: -3.694 local terms energy: -917.612144 where: bonds (distance) C4'-P energy: -171.974 bonds (distance) P-C4' energy: -170.624 flat angles C4'-P-C4' energy: -196.258 flat angles P-C4'-P energy: -119.612 tors. eta vs tors. theta energy: -259.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2783.883467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.883467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.883467 (E_RNA) where: Base-Base interactions energy: -1964.548 where: short stacking energy: -796.972 Base-Backbone interact. energy: -0.466 local terms energy: -818.869229 where: bonds (distance) C4'-P energy: -159.098 bonds (distance) P-C4' energy: -154.812 flat angles C4'-P-C4' energy: -182.810 flat angles P-C4'-P energy: -122.894 tors. eta vs tors. theta energy: -199.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2624.581597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.581597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.581597 (E_RNA) where: Base-Base interactions energy: -1772.435 where: short stacking energy: -793.924 Base-Backbone interact. energy: -1.292 local terms energy: -850.854393 where: bonds (distance) C4'-P energy: -159.073 bonds (distance) P-C4' energy: -161.132 flat angles C4'-P-C4' energy: -185.964 flat angles P-C4'-P energy: -125.200 tors. eta vs tors. theta energy: -219.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2539.624345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.624345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.624345 (E_RNA) where: Base-Base interactions energy: -1764.045 where: short stacking energy: -761.563 Base-Backbone interact. energy: -1.605 local terms energy: -773.975049 where: bonds (distance) C4'-P energy: -148.562 bonds (distance) P-C4' energy: -146.510 flat angles C4'-P-C4' energy: -173.815 flat angles P-C4'-P energy: -108.118 tors. eta vs tors. theta energy: -196.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2364.627596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.627596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.627596 (E_RNA) where: Base-Base interactions energy: -1579.396 where: short stacking energy: -716.071 Base-Backbone interact. energy: -0.473 local terms energy: -784.758315 where: bonds (distance) C4'-P energy: -144.078 bonds (distance) P-C4' energy: -162.611 flat angles C4'-P-C4' energy: -166.451 flat angles P-C4'-P energy: -123.131 tors. eta vs tors. theta energy: -188.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2229.249488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.249488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.249488 (E_RNA) where: Base-Base interactions energy: -1522.160 where: short stacking energy: -648.443 Base-Backbone interact. energy: 0.260 local terms energy: -707.350031 where: bonds (distance) C4'-P energy: -137.370 bonds (distance) P-C4' energy: -141.474 flat angles C4'-P-C4' energy: -159.937 flat angles P-C4'-P energy: -112.351 tors. eta vs tors. theta energy: -156.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1939.240668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.240668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.240668 (E_RNA) where: Base-Base interactions energy: -1323.844 where: short stacking energy: -567.022 Base-Backbone interact. energy: -2.458 local terms energy: -612.937916 where: bonds (distance) C4'-P energy: -123.908 bonds (distance) P-C4' energy: -134.319 flat angles C4'-P-C4' energy: -145.851 flat angles P-C4'-P energy: -77.742 tors. eta vs tors. theta energy: -131.117 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: 2 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1633.112153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.112153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.112153 (E_RNA) where: Base-Base interactions energy: -1026.972 where: short stacking energy: -454.292 Base-Backbone interact. energy: -3.323 local terms energy: -602.817099 where: bonds (distance) C4'-P energy: -126.139 bonds (distance) P-C4' energy: -142.280 flat angles C4'-P-C4' energy: -152.059 flat angles P-C4'-P energy: -86.028 tors. eta vs tors. theta energy: -96.311 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: 168 Temperature: 1.300000 Total energy: -1433.732291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.732291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.732291 (E_RNA) where: Base-Base interactions energy: -905.265 where: short stacking energy: -429.388 Base-Backbone interact. energy: -1.543 local terms energy: -526.924387 where: bonds (distance) C4'-P energy: -116.433 bonds (distance) P-C4' energy: -148.419 flat angles C4'-P-C4' energy: -133.094 flat angles P-C4'-P energy: -63.638 tors. eta vs tors. theta energy: -65.340 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: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -972.631938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.631938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.631938 (E_RNA) where: Base-Base interactions energy: -508.534 where: short stacking energy: -286.655 Base-Backbone interact. energy: -0.842 local terms energy: -463.256478 where: bonds (distance) C4'-P energy: -143.568 bonds (distance) P-C4' energy: -132.445 flat angles C4'-P-C4' energy: -105.480 flat angles P-C4'-P energy: -70.341 tors. eta vs tors. theta energy: -11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3007.685717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.685717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.685717 (E_RNA) where: Base-Base interactions energy: -2074.457 where: short stacking energy: -936.996 Base-Backbone interact. energy: -1.469 local terms energy: -931.759730 where: bonds (distance) C4'-P energy: -161.212 bonds (distance) P-C4' energy: -173.382 flat angles C4'-P-C4' energy: -200.061 flat angles P-C4'-P energy: -135.416 tors. eta vs tors. theta energy: -261.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -2733.706502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.706502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.706502 (E_RNA) where: Base-Base interactions energy: -1889.108 where: short stacking energy: -748.504 Base-Backbone interact. energy: -3.509 local terms energy: -841.089466 where: bonds (distance) C4'-P energy: -174.400 bonds (distance) P-C4' energy: -161.708 flat angles C4'-P-C4' energy: -191.030 flat angles P-C4'-P energy: -123.576 tors. eta vs tors. theta energy: -190.376 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: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2638.676495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.676495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.676495 (E_RNA) where: Base-Base interactions energy: -1797.753 where: short stacking energy: -812.669 Base-Backbone interact. energy: -3.278 local terms energy: -837.645246 where: bonds (distance) C4'-P energy: -158.484 bonds (distance) P-C4' energy: -159.569 flat angles C4'-P-C4' energy: -176.463 flat angles P-C4'-P energy: -113.223 tors. eta vs tors. theta energy: -229.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2530.811826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.811826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.811826 (E_RNA) where: Base-Base interactions energy: -1702.992 where: short stacking energy: -750.796 Base-Backbone interact. energy: -2.394 local terms energy: -825.425674 where: bonds (distance) C4'-P energy: -170.532 bonds (distance) P-C4' energy: -153.455 flat angles C4'-P-C4' energy: -171.386 flat angles P-C4'-P energy: -130.135 tors. eta vs tors. theta energy: -199.918 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: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2388.112192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.112192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.112192 (E_RNA) where: Base-Base interactions energy: -1641.874 where: short stacking energy: -732.015 Base-Backbone interact. energy: 1.125 local terms energy: -747.363152 where: bonds (distance) C4'-P energy: -129.480 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -162.682 flat angles P-C4'-P energy: -97.515 tors. eta vs tors. theta energy: -205.381 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: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2180.579197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.579197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.579197 (E_RNA) where: Base-Base interactions energy: -1481.855 where: short stacking energy: -674.279 Base-Backbone interact. energy: 0.155 local terms energy: -698.879278 where: bonds (distance) C4'-P energy: -124.690 bonds (distance) P-C4' energy: -156.108 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -94.300 tors. eta vs tors. theta energy: -170.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1897.743601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.743601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.743601 (E_RNA) where: Base-Base interactions energy: -1250.247 where: short stacking energy: -584.990 Base-Backbone interact. energy: -2.114 local terms energy: -645.382780 where: bonds (distance) C4'-P energy: -130.465 bonds (distance) P-C4' energy: -150.377 flat angles C4'-P-C4' energy: -145.538 flat angles P-C4'-P energy: -91.820 tors. eta vs tors. theta energy: -127.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1691.508510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.508510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.508510 (E_RNA) where: Base-Base interactions energy: -1105.806 where: short stacking energy: -504.618 Base-Backbone interact. energy: -4.227 local terms energy: -581.475983 where: bonds (distance) C4'-P energy: -139.068 bonds (distance) P-C4' energy: -141.696 flat angles C4'-P-C4' energy: -131.025 flat angles P-C4'-P energy: -82.336 tors. eta vs tors. theta energy: -87.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1446.812190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.812190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.812190 (E_RNA) where: Base-Base interactions energy: -918.733 where: short stacking energy: -392.865 Base-Backbone interact. energy: -3.138 local terms energy: -524.940426 where: bonds (distance) C4'-P energy: -140.181 bonds (distance) P-C4' energy: -136.890 flat angles C4'-P-C4' energy: -121.332 flat angles P-C4'-P energy: -67.570 tors. eta vs tors. theta energy: -58.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1012.161994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.161994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.161994 (E_RNA) where: Base-Base interactions energy: -543.243 where: short stacking energy: -301.490 Base-Backbone interact. energy: 0.927 local terms energy: -469.846036 where: bonds (distance) C4'-P energy: -119.630 bonds (distance) P-C4' energy: -137.857 flat angles C4'-P-C4' energy: -118.164 flat angles P-C4'-P energy: -88.018 tors. eta vs tors. theta energy: -6.177 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: 170 Temperature: 0.900000 Total energy: -3003.438820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.438820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.438820 (E_RNA) where: Base-Base interactions energy: -2069.663 where: short stacking energy: -919.611 Base-Backbone interact. energy: -3.776 local terms energy: -929.999313 where: bonds (distance) C4'-P energy: -163.905 bonds (distance) P-C4' energy: -170.329 flat angles C4'-P-C4' energy: -192.385 flat angles P-C4'-P energy: -136.387 tors. eta vs tors. theta energy: -266.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -2765.900268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.900268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.900268 (E_RNA) where: Base-Base interactions energy: -1979.389 where: short stacking energy: -799.465 Base-Backbone interact. energy: -0.172 local terms energy: -786.339000 where: bonds (distance) C4'-P energy: -150.252 bonds (distance) P-C4' energy: -159.890 flat angles C4'-P-C4' energy: -171.610 flat angles P-C4'-P energy: -113.341 tors. eta vs tors. theta energy: -191.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2637.183573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.183573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.183573 (E_RNA) where: Base-Base interactions energy: -1805.320 where: short stacking energy: -845.790 Base-Backbone interact. energy: -3.416 local terms energy: -828.448333 where: bonds (distance) C4'-P energy: -151.983 bonds (distance) P-C4' energy: -165.667 flat angles C4'-P-C4' energy: -169.172 flat angles P-C4'-P energy: -109.585 tors. eta vs tors. theta energy: -232.041 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: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2552.967953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.967953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.967953 (E_RNA) where: Base-Base interactions energy: -1771.562 where: short stacking energy: -747.618 Base-Backbone interact. energy: -0.512 local terms energy: -780.894841 where: bonds (distance) C4'-P energy: -162.070 bonds (distance) P-C4' energy: -158.326 flat angles C4'-P-C4' energy: -161.552 flat angles P-C4'-P energy: -106.592 tors. eta vs tors. theta energy: -192.354 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: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2427.043698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.043698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.043698 (E_RNA) where: Base-Base interactions energy: -1653.633 where: short stacking energy: -744.692 Base-Backbone interact. energy: -1.709 local terms energy: -771.701335 where: bonds (distance) C4'-P energy: -136.788 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -161.968 flat angles P-C4'-P energy: -111.973 tors. eta vs tors. theta energy: -204.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2176.877935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.877935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.877935 (E_RNA) where: Base-Base interactions energy: -1471.351 where: short stacking energy: -650.800 Base-Backbone interact. energy: -3.762 local terms energy: -701.765066 where: bonds (distance) C4'-P energy: -119.446 bonds (distance) P-C4' energy: -154.518 flat angles C4'-P-C4' energy: -159.426 flat angles P-C4'-P energy: -101.956 tors. eta vs tors. theta energy: -166.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1928.897665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.897665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.897665 (E_RNA) where: Base-Base interactions energy: -1302.876 where: short stacking energy: -592.317 Base-Backbone interact. energy: 1.583 local terms energy: -627.605376 where: bonds (distance) C4'-P energy: -124.381 bonds (distance) P-C4' energy: -134.647 flat angles C4'-P-C4' energy: -147.260 flat angles P-C4'-P energy: -77.027 tors. eta vs tors. theta energy: -144.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1683.712849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.712849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.712849 (E_RNA) where: Base-Base interactions energy: -1091.299 where: short stacking energy: -514.894 Base-Backbone interact. energy: 0.271 local terms energy: -592.684739 where: bonds (distance) C4'-P energy: -134.679 bonds (distance) P-C4' energy: -145.542 flat angles C4'-P-C4' energy: -140.365 flat angles P-C4'-P energy: -83.163 tors. eta vs tors. theta energy: -88.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1452.160417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.160417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.160417 (E_RNA) where: Base-Base interactions energy: -937.702 where: short stacking energy: -456.123 Base-Backbone interact. energy: -2.192 local terms energy: -512.266996 where: bonds (distance) C4'-P energy: -124.211 bonds (distance) P-C4' energy: -129.377 flat angles C4'-P-C4' energy: -127.368 flat angles P-C4'-P energy: -72.560 tors. eta vs tors. theta energy: -58.751 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: 10, replica: 8 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -995.333346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.333346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.333346 (E_RNA) where: Base-Base interactions energy: -526.805 where: short stacking energy: -291.526 Base-Backbone interact. energy: 1.140 local terms energy: -469.668919 where: bonds (distance) C4'-P energy: -125.115 bonds (distance) P-C4' energy: -137.254 flat angles C4'-P-C4' energy: -122.741 flat angles P-C4'-P energy: -68.025 tors. eta vs tors. theta energy: -16.534 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: 171 Temperature: 0.900000 Total energy: -2991.576712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.576712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.576712 (E_RNA) where: Base-Base interactions energy: -2077.773 where: short stacking energy: -908.426 Base-Backbone interact. energy: -0.230 local terms energy: -913.573575 where: bonds (distance) C4'-P energy: -165.461 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -188.032 flat angles P-C4'-P energy: -136.418 tors. eta vs tors. theta energy: -264.729 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: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -2746.604385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.604385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.604385 (E_RNA) where: Base-Base interactions energy: -1869.118 where: short stacking energy: -843.409 Base-Backbone interact. energy: -3.053 local terms energy: -874.434269 where: bonds (distance) C4'-P energy: -152.623 bonds (distance) P-C4' energy: -167.441 flat angles C4'-P-C4' energy: -184.400 flat angles P-C4'-P energy: -129.443 tors. eta vs tors. theta energy: -240.527 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: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2708.115356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.115356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.115356 (E_RNA) where: Base-Base interactions energy: -1907.387 where: short stacking energy: -769.699 Base-Backbone interact. energy: 0.994 local terms energy: -801.722096 where: bonds (distance) C4'-P energy: -149.508 bonds (distance) P-C4' energy: -164.316 flat angles C4'-P-C4' energy: -176.612 flat angles P-C4'-P energy: -109.048 tors. eta vs tors. theta energy: -202.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2531.914445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.914445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.914445 (E_RNA) where: Base-Base interactions energy: -1710.550 where: short stacking energy: -774.720 Base-Backbone interact. energy: -3.187 local terms energy: -818.177070 where: bonds (distance) C4'-P energy: -154.427 bonds (distance) P-C4' energy: -168.928 flat angles C4'-P-C4' energy: -175.308 flat angles P-C4'-P energy: -111.197 tors. eta vs tors. theta energy: -208.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2387.099789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.099789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.099789 (E_RNA) where: Base-Base interactions energy: -1612.226 where: short stacking energy: -764.333 Base-Backbone interact. energy: -1.766 local terms energy: -773.107993 where: bonds (distance) C4'-P energy: -147.166 bonds (distance) P-C4' energy: -143.272 flat angles C4'-P-C4' energy: -156.183 flat angles P-C4'-P energy: -107.688 tors. eta vs tors. theta energy: -218.799 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: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2230.827771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.827771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.827771 (E_RNA) where: Base-Base interactions energy: -1524.978 where: short stacking energy: -679.555 Base-Backbone interact. energy: -0.963 local terms energy: -704.886636 where: bonds (distance) C4'-P energy: -131.733 bonds (distance) P-C4' energy: -143.599 flat angles C4'-P-C4' energy: -159.480 flat angles P-C4'-P energy: -104.365 tors. eta vs tors. theta energy: -165.710 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: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1892.475596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.475596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.475596 (E_RNA) where: Base-Base interactions energy: -1246.236 where: short stacking energy: -567.579 Base-Backbone interact. energy: -0.838 local terms energy: -645.400920 where: bonds (distance) C4'-P energy: -137.881 bonds (distance) P-C4' energy: -148.757 flat angles C4'-P-C4' energy: -158.113 flat angles P-C4'-P energy: -79.984 tors. eta vs tors. theta energy: -120.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1646.382032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.382032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.382032 (E_RNA) where: Base-Base interactions energy: -1091.306 where: short stacking energy: -488.147 Base-Backbone interact. energy: -3.731 local terms energy: -551.345483 where: bonds (distance) C4'-P energy: -129.891 bonds (distance) P-C4' energy: -118.409 flat angles C4'-P-C4' energy: -131.348 flat angles P-C4'-P energy: -74.569 tors. eta vs tors. theta energy: -97.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1382.677855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.677855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.677855 (E_RNA) where: Base-Base interactions energy: -892.987 where: short stacking energy: -429.548 Base-Backbone interact. energy: 4.270 local terms energy: -493.960974 where: bonds (distance) C4'-P energy: -122.476 bonds (distance) P-C4' energy: -123.948 flat angles C4'-P-C4' energy: -118.523 flat angles P-C4'-P energy: -83.754 tors. eta vs tors. theta energy: -45.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1019.761793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.761793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.761793 (E_RNA) where: Base-Base interactions energy: -547.825 where: short stacking energy: -300.242 Base-Backbone interact. energy: -0.207 local terms energy: -471.729827 where: bonds (distance) C4'-P energy: -134.721 bonds (distance) P-C4' energy: -134.291 flat angles C4'-P-C4' energy: -114.459 flat angles P-C4'-P energy: -54.118 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: 1 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3012.852038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.852038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.852038 (E_RNA) where: Base-Base interactions energy: -2096.052 where: short stacking energy: -897.540 Base-Backbone interact. energy: -4.562 local terms energy: -912.238906 where: bonds (distance) C4'-P energy: -160.065 bonds (distance) P-C4' energy: -174.667 flat angles C4'-P-C4' energy: -194.277 flat angles P-C4'-P energy: -112.749 tors. eta vs tors. theta energy: -270.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -2740.570204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.570204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.570204 (E_RNA) where: Base-Base interactions energy: -1854.218 where: short stacking energy: -849.879 Base-Backbone interact. energy: -3.499 local terms energy: -882.852753 where: bonds (distance) C4'-P energy: -155.732 bonds (distance) P-C4' energy: -165.336 flat angles C4'-P-C4' energy: -188.634 flat angles P-C4'-P energy: -129.573 tors. eta vs tors. theta energy: -243.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2666.054797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.054797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.054797 (E_RNA) where: Base-Base interactions energy: -1882.601 where: short stacking energy: -737.023 Base-Backbone interact. energy: -4.704 local terms energy: -778.748965 where: bonds (distance) C4'-P energy: -150.424 bonds (distance) P-C4' energy: -174.866 flat angles C4'-P-C4' energy: -166.674 flat angles P-C4'-P energy: -105.388 tors. eta vs tors. theta energy: -181.397 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: 7 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2557.277950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.277950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.277950 (E_RNA) where: Base-Base interactions energy: -1773.495 where: short stacking energy: -764.536 Base-Backbone interact. energy: -5.471 local terms energy: -778.311555 where: bonds (distance) C4'-P energy: -152.379 bonds (distance) P-C4' energy: -142.725 flat angles C4'-P-C4' energy: -169.749 flat angles P-C4'-P energy: -117.891 tors. eta vs tors. theta energy: -195.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2349.069414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.069414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.069414 (E_RNA) where: Base-Base interactions energy: -1600.402 where: short stacking energy: -727.857 Base-Backbone interact. energy: 0.993 local terms energy: -749.660878 where: bonds (distance) C4'-P energy: -132.183 bonds (distance) P-C4' energy: -148.569 flat angles C4'-P-C4' energy: -169.418 flat angles P-C4'-P energy: -111.088 tors. eta vs tors. theta energy: -188.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2213.553220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.553220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.553220 (E_RNA) where: Base-Base interactions energy: -1512.873 where: short stacking energy: -645.977 Base-Backbone interact. energy: -3.812 local terms energy: -696.868339 where: bonds (distance) C4'-P energy: -146.287 bonds (distance) P-C4' energy: -132.314 flat angles C4'-P-C4' energy: -169.422 flat angles P-C4'-P energy: -87.115 tors. eta vs tors. theta energy: -161.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1889.580959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.580959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.580959 (E_RNA) where: Base-Base interactions energy: -1236.330 where: short stacking energy: -574.372 Base-Backbone interact. energy: -3.538 local terms energy: -649.712227 where: bonds (distance) C4'-P energy: -144.945 bonds (distance) P-C4' energy: -141.769 flat angles C4'-P-C4' energy: -150.024 flat angles P-C4'-P energy: -94.821 tors. eta vs tors. theta energy: -118.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1660.005939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.005939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.005939 (E_RNA) where: Base-Base interactions energy: -1088.448 where: short stacking energy: -492.083 Base-Backbone interact. energy: -4.507 local terms energy: -567.051665 where: bonds (distance) C4'-P energy: -111.449 bonds (distance) P-C4' energy: -129.519 flat angles C4'-P-C4' energy: -142.659 flat angles P-C4'-P energy: -89.726 tors. eta vs tors. theta energy: -93.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1414.916850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.916850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.916850 (E_RNA) where: Base-Base interactions energy: -874.103 where: short stacking energy: -449.050 Base-Backbone interact. energy: -0.365 local terms energy: -540.448953 where: bonds (distance) C4'-P energy: -126.638 bonds (distance) P-C4' energy: -140.917 flat angles C4'-P-C4' energy: -129.764 flat angles P-C4'-P energy: -76.486 tors. eta vs tors. theta energy: -66.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1016.693060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.693060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.693060 (E_RNA) where: Base-Base interactions energy: -557.137 where: short stacking energy: -320.848 Base-Backbone interact. energy: 7.095 local terms energy: -466.651265 where: bonds (distance) C4'-P energy: -138.545 bonds (distance) P-C4' energy: -125.805 flat angles C4'-P-C4' energy: -97.887 flat angles P-C4'-P energy: -82.561 tors. eta vs tors. theta energy: -21.852 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: 173 Temperature: 0.900000 Total energy: -3005.583674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.583674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.583674 (E_RNA) where: Base-Base interactions energy: -2080.569 where: short stacking energy: -920.359 Base-Backbone interact. energy: -0.967 local terms energy: -924.048202 where: bonds (distance) C4'-P energy: -168.761 bonds (distance) P-C4' energy: -169.631 flat angles C4'-P-C4' energy: -201.714 flat angles P-C4'-P energy: -122.313 tors. eta vs tors. theta energy: -261.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -2713.434524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.434524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.434524 (E_RNA) where: Base-Base interactions energy: -1830.161 where: short stacking energy: -829.961 Base-Backbone interact. energy: -0.448 local terms energy: -882.825421 where: bonds (distance) C4'-P energy: -176.350 bonds (distance) P-C4' energy: -173.083 flat angles C4'-P-C4' energy: -188.040 flat angles P-C4'-P energy: -110.384 tors. eta vs tors. theta energy: -234.969 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: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2646.529660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.529660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.529660 (E_RNA) where: Base-Base interactions energy: -1847.245 where: short stacking energy: -759.355 Base-Backbone interact. energy: -2.419 local terms energy: -796.866012 where: bonds (distance) C4'-P energy: -141.638 bonds (distance) P-C4' energy: -168.110 flat angles C4'-P-C4' energy: -172.942 flat angles P-C4'-P energy: -125.261 tors. eta vs tors. theta energy: -188.916 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: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2573.346709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.346709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.346709 (E_RNA) where: Base-Base interactions energy: -1778.308 where: short stacking energy: -756.793 Base-Backbone interact. energy: -5.004 local terms energy: -790.034119 where: bonds (distance) C4'-P energy: -153.394 bonds (distance) P-C4' energy: -147.839 flat angles C4'-P-C4' energy: -167.394 flat angles P-C4'-P energy: -112.371 tors. eta vs tors. theta energy: -209.036 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: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2301.683088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.683088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.683088 (E_RNA) where: Base-Base interactions energy: -1544.304 where: short stacking energy: -704.441 Base-Backbone interact. energy: -0.146 local terms energy: -757.233579 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -154.933 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -104.417 tors. eta vs tors. theta energy: -189.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2215.147571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.147571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.147571 (E_RNA) where: Base-Base interactions energy: -1513.310 where: short stacking energy: -659.880 Base-Backbone interact. energy: 1.917 local terms energy: -703.754422 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -150.223 flat angles C4'-P-C4' energy: -170.220 flat angles P-C4'-P energy: -89.836 tors. eta vs tors. theta energy: -165.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1890.563919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.563919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.563919 (E_RNA) where: Base-Base interactions energy: -1237.254 where: short stacking energy: -576.058 Base-Backbone interact. energy: -3.866 local terms energy: -649.444647 where: bonds (distance) C4'-P energy: -138.067 bonds (distance) P-C4' energy: -156.478 flat angles C4'-P-C4' energy: -145.915 flat angles P-C4'-P energy: -74.696 tors. eta vs tors. theta energy: -134.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -1687.666158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.666158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.666158 (E_RNA) where: Base-Base interactions energy: -1092.853 where: short stacking energy: -503.457 Base-Backbone interact. energy: -0.703 local terms energy: -594.109651 where: bonds (distance) C4'-P energy: -114.835 bonds (distance) P-C4' energy: -140.902 flat angles C4'-P-C4' energy: -158.396 flat angles P-C4'-P energy: -77.122 tors. eta vs tors. theta energy: -102.855 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: 173 Temperature: 1.300000 Total energy: -1421.290627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.290627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.290627 (E_RNA) where: Base-Base interactions energy: -861.864 where: short stacking energy: -416.567 Base-Backbone interact. energy: 5.241 local terms energy: -564.668105 where: bonds (distance) C4'-P energy: -138.287 bonds (distance) P-C4' energy: -136.095 flat angles C4'-P-C4' energy: -143.555 flat angles P-C4'-P energy: -77.279 tors. eta vs tors. theta energy: -69.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1075.106990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.106990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.106990 (E_RNA) where: Base-Base interactions energy: -628.478 where: short stacking energy: -316.218 Base-Backbone interact. energy: -1.380 local terms energy: -445.248795 where: bonds (distance) C4'-P energy: -133.929 bonds (distance) P-C4' energy: -120.789 flat angles C4'-P-C4' energy: -105.354 flat angles P-C4'-P energy: -66.161 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3028.507011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.507011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.507011 (E_RNA) where: Base-Base interactions energy: -2126.340 where: short stacking energy: -930.040 Base-Backbone interact. energy: -4.053 local terms energy: -898.113881 where: bonds (distance) C4'-P energy: -171.186 bonds (distance) P-C4' energy: -142.323 flat angles C4'-P-C4' energy: -199.036 flat angles P-C4'-P energy: -129.182 tors. eta vs tors. theta energy: -256.387 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: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -2703.954004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.954004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.954004 (E_RNA) where: Base-Base interactions energy: -1841.179 where: short stacking energy: -837.401 Base-Backbone interact. energy: -4.056 local terms energy: -858.719137 where: bonds (distance) C4'-P energy: -154.600 bonds (distance) P-C4' energy: -161.000 flat angles C4'-P-C4' energy: -188.300 flat angles P-C4'-P energy: -116.391 tors. eta vs tors. theta energy: -238.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2662.653953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.653953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.653953 (E_RNA) where: Base-Base interactions energy: -1890.476 where: short stacking energy: -751.816 Base-Backbone interact. energy: 0.405 local terms energy: -772.582925 where: bonds (distance) C4'-P energy: -154.749 bonds (distance) P-C4' energy: -147.405 flat angles C4'-P-C4' energy: -185.776 flat angles P-C4'-P energy: -94.581 tors. eta vs tors. theta energy: -190.071 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: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2493.783814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.783814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.783814 (E_RNA) where: Base-Base interactions energy: -1720.664 where: short stacking energy: -758.200 Base-Backbone interact. energy: -5.404 local terms energy: -767.715003 where: bonds (distance) C4'-P energy: -136.582 bonds (distance) P-C4' energy: -154.318 flat angles C4'-P-C4' energy: -166.227 flat angles P-C4'-P energy: -97.985 tors. eta vs tors. theta energy: -212.603 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: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2339.859809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.859809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.859809 (E_RNA) where: Base-Base interactions energy: -1554.092 where: short stacking energy: -722.402 Base-Backbone interact. energy: -2.049 local terms energy: -783.719266 where: bonds (distance) C4'-P energy: -139.351 bonds (distance) P-C4' energy: -162.281 flat angles C4'-P-C4' energy: -172.639 flat angles P-C4'-P energy: -112.421 tors. eta vs tors. theta energy: -197.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2237.918902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.918902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.918902 (E_RNA) where: Base-Base interactions energy: -1534.774 where: short stacking energy: -685.211 Base-Backbone interact. energy: -0.137 local terms energy: -703.007751 where: bonds (distance) C4'-P energy: -116.945 bonds (distance) P-C4' energy: -128.649 flat angles C4'-P-C4' energy: -165.491 flat angles P-C4'-P energy: -109.720 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: 7, replica: 4 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1913.454557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.454557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.454557 (E_RNA) where: Base-Base interactions energy: -1276.166 where: short stacking energy: -588.825 Base-Backbone interact. energy: 1.556 local terms energy: -638.845401 where: bonds (distance) C4'-P energy: -125.271 bonds (distance) P-C4' energy: -154.255 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -87.820 tors. eta vs tors. theta energy: -124.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1704.790614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.790614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.790614 (E_RNA) where: Base-Base interactions energy: -1171.715 where: short stacking energy: -527.274 Base-Backbone interact. energy: -0.639 local terms energy: -532.437148 where: bonds (distance) C4'-P energy: -114.502 bonds (distance) P-C4' energy: -116.252 flat angles C4'-P-C4' energy: -141.465 flat angles P-C4'-P energy: -65.944 tors. eta vs tors. theta energy: -94.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1386.353739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.353739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.353739 (E_RNA) where: Base-Base interactions energy: -841.822 where: short stacking energy: -423.241 Base-Backbone interact. energy: 1.918 local terms energy: -546.449734 where: bonds (distance) C4'-P energy: -129.910 bonds (distance) P-C4' energy: -122.457 flat angles C4'-P-C4' energy: -118.726 flat angles P-C4'-P energy: -91.154 tors. eta vs tors. theta energy: -84.203 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: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1101.187249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.187249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.187249 (E_RNA) where: Base-Base interactions energy: -631.780 where: short stacking energy: -322.003 Base-Backbone interact. energy: 0.075 local terms energy: -469.482361 where: bonds (distance) C4'-P energy: -122.094 bonds (distance) P-C4' energy: -143.745 flat angles C4'-P-C4' energy: -118.264 flat angles P-C4'-P energy: -59.502 tors. eta vs tors. theta energy: -25.877 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: 1 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3009.154448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.154448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.154448 (E_RNA) where: Base-Base interactions energy: -2057.566 where: short stacking energy: -890.175 Base-Backbone interact. energy: -5.584 local terms energy: -946.004107 where: bonds (distance) C4'-P energy: -180.059 bonds (distance) P-C4' energy: -187.326 flat angles C4'-P-C4' energy: -200.742 flat angles P-C4'-P energy: -125.043 tors. eta vs tors. theta energy: -252.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -2749.639132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.639132 (E_RNA) where: Base-Base interactions energy: -1874.184 where: short stacking energy: -828.093 Base-Backbone interact. energy: -1.127 local terms energy: -874.327994 where: bonds (distance) C4'-P energy: -169.451 bonds (distance) P-C4' energy: -177.405 flat angles C4'-P-C4' energy: -179.438 flat angles P-C4'-P energy: -110.976 tors. eta vs tors. theta energy: -237.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2675.695450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.695450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.695450 (E_RNA) where: Base-Base interactions energy: -1895.366 where: short stacking energy: -743.463 Base-Backbone interact. energy: -1.142 local terms energy: -779.187868 where: bonds (distance) C4'-P energy: -134.221 bonds (distance) P-C4' energy: -154.452 flat angles C4'-P-C4' energy: -179.606 flat angles P-C4'-P energy: -117.222 tors. eta vs tors. theta energy: -193.687 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: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2545.461990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.461990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.461990 (E_RNA) where: Base-Base interactions energy: -1782.529 where: short stacking energy: -780.043 Base-Backbone interact. energy: -5.021 local terms energy: -757.911550 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -140.264 flat angles C4'-P-C4' energy: -176.708 flat angles P-C4'-P energy: -96.310 tors. eta vs tors. theta energy: -208.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2381.898899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.898899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.898899 (E_RNA) where: Base-Base interactions energy: -1605.441 where: short stacking energy: -734.503 Base-Backbone interact. energy: 0.211 local terms energy: -776.668793 where: bonds (distance) C4'-P energy: -144.320 bonds (distance) P-C4' energy: -140.436 flat angles C4'-P-C4' energy: -188.255 flat angles P-C4'-P energy: -115.891 tors. eta vs tors. theta energy: -187.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2212.770740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.770740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.770740 (E_RNA) where: Base-Base interactions energy: -1484.076 where: short stacking energy: -629.052 Base-Backbone interact. energy: 0.569 local terms energy: -729.263919 where: bonds (distance) C4'-P energy: -135.902 bonds (distance) P-C4' energy: -149.636 flat angles C4'-P-C4' energy: -166.160 flat angles P-C4'-P energy: -104.253 tors. eta vs tors. theta energy: -173.314 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: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1860.796730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.796730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.796730 (E_RNA) where: Base-Base interactions energy: -1213.483 where: short stacking energy: -536.724 Base-Backbone interact. energy: -1.475 local terms energy: -645.838283 where: bonds (distance) C4'-P energy: -137.940 bonds (distance) P-C4' energy: -146.055 flat angles C4'-P-C4' energy: -154.552 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -129.293 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: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1726.591522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.591522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.591522 (E_RNA) where: Base-Base interactions energy: -1089.717 where: short stacking energy: -482.924 Base-Backbone interact. energy: 0.962 local terms energy: -637.837092 where: bonds (distance) C4'-P energy: -135.530 bonds (distance) P-C4' energy: -142.875 flat angles C4'-P-C4' energy: -159.947 flat angles P-C4'-P energy: -98.461 tors. eta vs tors. theta energy: -101.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1436.858840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.858840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.858840 (E_RNA) where: Base-Base interactions energy: -892.234 where: short stacking energy: -408.871 Base-Backbone interact. energy: 0.850 local terms energy: -545.474397 where: bonds (distance) C4'-P energy: -144.881 bonds (distance) P-C4' energy: -102.150 flat angles C4'-P-C4' energy: -147.646 flat angles P-C4'-P energy: -81.772 tors. eta vs tors. theta energy: -69.026 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: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1065.269606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.269606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.269606 (E_RNA) where: Base-Base interactions energy: -623.132 where: short stacking energy: -308.669 Base-Backbone interact. energy: 0.923 local terms energy: -443.060900 where: bonds (distance) C4'-P energy: -111.205 bonds (distance) P-C4' energy: -123.737 flat angles C4'-P-C4' energy: -131.410 flat angles P-C4'-P energy: -72.854 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -2995.518782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.518782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.518782 (E_RNA) where: Base-Base interactions energy: -2078.729 where: short stacking energy: -908.688 Base-Backbone interact. energy: -4.425 local terms energy: -912.364911 where: bonds (distance) C4'-P energy: -165.534 bonds (distance) P-C4' energy: -164.974 flat angles C4'-P-C4' energy: -195.834 flat angles P-C4'-P energy: -121.857 tors. eta vs tors. theta energy: -264.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -2719.684395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.684395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.684395 (E_RNA) where: Base-Base interactions energy: -1860.780 where: short stacking energy: -843.089 Base-Backbone interact. energy: -3.334 local terms energy: -855.570427 where: bonds (distance) C4'-P energy: -166.638 bonds (distance) P-C4' energy: -151.213 flat angles C4'-P-C4' energy: -184.601 flat angles P-C4'-P energy: -119.342 tors. eta vs tors. theta energy: -233.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2641.809764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.809764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.809764 (E_RNA) where: Base-Base interactions energy: -1854.251 where: short stacking energy: -779.472 Base-Backbone interact. energy: -3.595 local terms energy: -783.964397 where: bonds (distance) C4'-P energy: -144.528 bonds (distance) P-C4' energy: -157.478 flat angles C4'-P-C4' energy: -170.784 flat angles P-C4'-P energy: -112.213 tors. eta vs tors. theta energy: -198.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2556.172892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.172892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.172892 (E_RNA) where: Base-Base interactions energy: -1757.548 where: short stacking energy: -762.776 Base-Backbone interact. energy: -2.889 local terms energy: -795.735936 where: bonds (distance) C4'-P energy: -147.849 bonds (distance) P-C4' energy: -152.035 flat angles C4'-P-C4' energy: -170.504 flat angles P-C4'-P energy: -117.118 tors. eta vs tors. theta energy: -208.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2308.201159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.201159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.201159 (E_RNA) where: Base-Base interactions energy: -1559.022 where: short stacking energy: -727.203 Base-Backbone interact. energy: -3.674 local terms energy: -745.505316 where: bonds (distance) C4'-P energy: -150.867 bonds (distance) P-C4' energy: -128.134 flat angles C4'-P-C4' energy: -178.786 flat angles P-C4'-P energy: -96.907 tors. eta vs tors. theta energy: -190.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2190.038287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.038287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.038287 (E_RNA) where: Base-Base interactions energy: -1468.251 where: short stacking energy: -642.817 Base-Backbone interact. energy: -2.239 local terms energy: -719.548150 where: bonds (distance) C4'-P energy: -150.737 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -157.237 flat angles P-C4'-P energy: -108.214 tors. eta vs tors. theta energy: -153.328 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: 4 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1913.041261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.041261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.041261 (E_RNA) where: Base-Base interactions energy: -1256.282 where: short stacking energy: -590.289 Base-Backbone interact. energy: -0.294 local terms energy: -656.465049 where: bonds (distance) C4'-P energy: -134.765 bonds (distance) P-C4' energy: -145.481 flat angles C4'-P-C4' energy: -144.317 flat angles P-C4'-P energy: -99.019 tors. eta vs tors. theta energy: -132.882 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: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1767.133945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.133945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.133945 (E_RNA) where: Base-Base interactions energy: -1148.025 where: short stacking energy: -507.568 Base-Backbone interact. energy: -1.235 local terms energy: -617.874407 where: bonds (distance) C4'-P energy: -124.280 bonds (distance) P-C4' energy: -126.870 flat angles C4'-P-C4' energy: -153.711 flat angles P-C4'-P energy: -98.939 tors. eta vs tors. theta energy: -114.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1387.920477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.920477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.920477 (E_RNA) where: Base-Base interactions energy: -846.637 where: short stacking energy: -422.619 Base-Backbone interact. energy: -2.440 local terms energy: -538.843650 where: bonds (distance) C4'-P energy: -126.702 bonds (distance) P-C4' energy: -140.260 flat angles C4'-P-C4' energy: -141.068 flat angles P-C4'-P energy: -63.473 tors. eta vs tors. theta energy: -67.341 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: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1056.950382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.950382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.950382 (E_RNA) where: Base-Base interactions energy: -554.050 where: short stacking energy: -281.552 Base-Backbone interact. energy: -2.353 local terms energy: -500.547640 where: bonds (distance) C4'-P energy: -144.404 bonds (distance) P-C4' energy: -132.813 flat angles C4'-P-C4' energy: -113.185 flat angles P-C4'-P energy: -66.232 tors. eta vs tors. theta energy: -43.915 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: 177 Temperature: 0.900000 Total energy: -3012.854295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.854295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.854295 (E_RNA) where: Base-Base interactions energy: -2088.387 where: short stacking energy: -914.012 Base-Backbone interact. energy: -5.003 local terms energy: -919.464440 where: bonds (distance) C4'-P energy: -179.783 bonds (distance) P-C4' energy: -157.177 flat angles C4'-P-C4' energy: -190.577 flat angles P-C4'-P energy: -127.463 tors. eta vs tors. theta energy: -264.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -2760.730165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.730165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.730165 (E_RNA) where: Base-Base interactions energy: -1958.949 where: short stacking energy: -735.708 Base-Backbone interact. energy: 3.091 local terms energy: -804.872360 where: bonds (distance) C4'-P energy: -147.473 bonds (distance) P-C4' energy: -162.965 flat angles C4'-P-C4' energy: -171.756 flat angles P-C4'-P energy: -128.240 tors. eta vs tors. theta energy: -194.439 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: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2686.893787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.893787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.893787 (E_RNA) where: Base-Base interactions energy: -1832.374 where: short stacking energy: -850.007 Base-Backbone interact. energy: -1.661 local terms energy: -852.858940 where: bonds (distance) C4'-P energy: -159.079 bonds (distance) P-C4' energy: -150.203 flat angles C4'-P-C4' energy: -182.788 flat angles P-C4'-P energy: -127.625 tors. eta vs tors. theta energy: -233.163 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: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2548.676751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.676751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.676751 (E_RNA) where: Base-Base interactions energy: -1730.216 where: short stacking energy: -744.813 Base-Backbone interact. energy: -1.972 local terms energy: -816.488097 where: bonds (distance) C4'-P energy: -162.111 bonds (distance) P-C4' energy: -156.064 flat angles C4'-P-C4' energy: -175.857 flat angles P-C4'-P energy: -114.151 tors. eta vs tors. theta energy: -208.305 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: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2385.171555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.171555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.171555 (E_RNA) where: Base-Base interactions energy: -1608.394 where: short stacking energy: -740.773 Base-Backbone interact. energy: -0.597 local terms energy: -776.180726 where: bonds (distance) C4'-P energy: -154.703 bonds (distance) P-C4' energy: -141.079 flat angles C4'-P-C4' energy: -180.205 flat angles P-C4'-P energy: -100.061 tors. eta vs tors. theta energy: -200.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2193.777984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.777984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.777984 (E_RNA) where: Base-Base interactions energy: -1482.948 where: short stacking energy: -611.430 Base-Backbone interact. energy: -1.507 local terms energy: -709.323646 where: bonds (distance) C4'-P energy: -142.482 bonds (distance) P-C4' energy: -149.116 flat angles C4'-P-C4' energy: -155.468 flat angles P-C4'-P energy: -111.106 tors. eta vs tors. theta energy: -151.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1890.551203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.551203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.551203 (E_RNA) where: Base-Base interactions energy: -1213.538 where: short stacking energy: -581.324 Base-Backbone interact. energy: 6.085 local terms energy: -683.098628 where: bonds (distance) C4'-P energy: -138.116 bonds (distance) P-C4' energy: -147.665 flat angles C4'-P-C4' energy: -155.014 flat angles P-C4'-P energy: -108.284 tors. eta vs tors. theta energy: -134.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1787.530643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.530643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.530643 (E_RNA) where: Base-Base interactions energy: -1176.397 where: short stacking energy: -538.547 Base-Backbone interact. energy: -2.818 local terms energy: -608.316027 where: bonds (distance) C4'-P energy: -137.917 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -132.269 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -110.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1418.641315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.641315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.641315 (E_RNA) where: Base-Base interactions energy: -895.482 where: short stacking energy: -425.493 Base-Backbone interact. energy: 3.004 local terms energy: -526.164096 where: bonds (distance) C4'-P energy: -136.812 bonds (distance) P-C4' energy: -126.880 flat angles C4'-P-C4' energy: -136.781 flat angles P-C4'-P energy: -67.598 tors. eta vs tors. theta energy: -58.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1080.870756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.870756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.870756 (E_RNA) where: Base-Base interactions energy: -610.751 where: short stacking energy: -314.591 Base-Backbone interact. energy: 1.985 local terms energy: -472.105317 where: bonds (distance) C4'-P energy: -122.513 bonds (distance) P-C4' energy: -148.360 flat angles C4'-P-C4' energy: -119.957 flat angles P-C4'-P energy: -64.361 tors. eta vs tors. theta energy: -16.914 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: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3054.613284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.613284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.613284 (E_RNA) where: Base-Base interactions energy: -2119.602 where: short stacking energy: -910.164 Base-Backbone interact. energy: -2.750 local terms energy: -932.260902 where: bonds (distance) C4'-P energy: -169.455 bonds (distance) P-C4' energy: -152.193 flat angles C4'-P-C4' energy: -199.543 flat angles P-C4'-P energy: -141.563 tors. eta vs tors. theta energy: -269.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -2789.521311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.521311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.521311 (E_RNA) where: Base-Base interactions energy: -1981.669 where: short stacking energy: -781.099 Base-Backbone interact. energy: -3.477 local terms energy: -804.375875 where: bonds (distance) C4'-P energy: -154.116 bonds (distance) P-C4' energy: -154.566 flat angles C4'-P-C4' energy: -178.114 flat angles P-C4'-P energy: -122.264 tors. eta vs tors. theta energy: -195.317 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: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2718.833333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.833333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.833333 (E_RNA) where: Base-Base interactions energy: -1875.850 where: short stacking energy: -855.056 Base-Backbone interact. energy: -2.943 local terms energy: -840.040064 where: bonds (distance) C4'-P energy: -142.439 bonds (distance) P-C4' energy: -148.150 flat angles C4'-P-C4' energy: -187.580 flat angles P-C4'-P energy: -116.289 tors. eta vs tors. theta energy: -245.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2492.744811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.744811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.744811 (E_RNA) where: Base-Base interactions energy: -1748.573 where: short stacking energy: -761.465 Base-Backbone interact. energy: -3.292 local terms energy: -740.879494 where: bonds (distance) C4'-P energy: -128.621 bonds (distance) P-C4' energy: -160.668 flat angles C4'-P-C4' energy: -168.624 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -189.297 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: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2351.269783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.269783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.269783 (E_RNA) where: Base-Base interactions energy: -1563.118 where: short stacking energy: -719.538 Base-Backbone interact. energy: -3.286 local terms energy: -784.865254 where: bonds (distance) C4'-P energy: -148.139 bonds (distance) P-C4' energy: -155.008 flat angles C4'-P-C4' energy: -178.398 flat angles P-C4'-P energy: -103.618 tors. eta vs tors. theta energy: -199.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2194.553820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.553820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.553820 (E_RNA) where: Base-Base interactions energy: -1529.130 where: short stacking energy: -665.147 Base-Backbone interact. energy: -1.946 local terms energy: -663.477850 where: bonds (distance) C4'-P energy: -135.144 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -142.544 flat angles P-C4'-P energy: -86.866 tors. eta vs tors. theta energy: -163.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1868.745400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.745400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.745400 (E_RNA) where: Base-Base interactions energy: -1204.040 where: short stacking energy: -519.177 Base-Backbone interact. energy: 0.270 local terms energy: -664.975564 where: bonds (distance) C4'-P energy: -154.337 bonds (distance) P-C4' energy: -139.725 flat angles C4'-P-C4' energy: -135.594 flat angles P-C4'-P energy: -109.007 tors. eta vs tors. theta energy: -126.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1841.262698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.262698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.262698 (E_RNA) where: Base-Base interactions energy: -1202.345 where: short stacking energy: -536.533 Base-Backbone interact. energy: 1.417 local terms energy: -640.334912 where: bonds (distance) C4'-P energy: -135.398 bonds (distance) P-C4' energy: -137.691 flat angles C4'-P-C4' energy: -162.344 flat angles P-C4'-P energy: -86.369 tors. eta vs tors. theta energy: -118.533 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: 9, replica: 6 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1412.502922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.502922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.502922 (E_RNA) where: Base-Base interactions energy: -857.654 where: short stacking energy: -413.884 Base-Backbone interact. energy: -3.504 local terms energy: -551.345652 where: bonds (distance) C4'-P energy: -134.733 bonds (distance) P-C4' energy: -146.595 flat angles C4'-P-C4' energy: -121.795 flat angles P-C4'-P energy: -84.253 tors. eta vs tors. theta energy: -63.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1077.959105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.959105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.959105 (E_RNA) where: Base-Base interactions energy: -591.554 where: short stacking energy: -290.278 Base-Backbone interact. energy: 0.598 local terms energy: -487.002664 where: bonds (distance) C4'-P energy: -124.399 bonds (distance) P-C4' energy: -149.090 flat angles C4'-P-C4' energy: -135.305 flat angles P-C4'-P energy: -59.663 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3005.985127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.985127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.985127 (E_RNA) where: Base-Base interactions energy: -2102.134 where: short stacking energy: -908.311 Base-Backbone interact. energy: -3.138 local terms energy: -900.713344 where: bonds (distance) C4'-P energy: -154.319 bonds (distance) P-C4' energy: -170.038 flat angles C4'-P-C4' energy: -183.660 flat angles P-C4'-P energy: -129.192 tors. eta vs tors. theta energy: -263.505 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: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -2746.878921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.878921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.878921 (E_RNA) where: Base-Base interactions energy: -1913.037 where: short stacking energy: -794.728 Base-Backbone interact. energy: 3.168 local terms energy: -837.009961 where: bonds (distance) C4'-P energy: -154.595 bonds (distance) P-C4' energy: -160.770 flat angles C4'-P-C4' energy: -195.999 flat angles P-C4'-P energy: -121.018 tors. eta vs tors. theta energy: -204.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2677.022846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.022846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.022846 (E_RNA) where: Base-Base interactions energy: -1842.011 where: short stacking energy: -829.950 Base-Backbone interact. energy: 0.447 local terms energy: -835.459290 where: bonds (distance) C4'-P energy: -161.662 bonds (distance) P-C4' energy: -136.299 flat angles C4'-P-C4' energy: -184.731 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -235.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2477.122102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.122102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.122102 (E_RNA) where: Base-Base interactions energy: -1728.639 where: short stacking energy: -720.999 Base-Backbone interact. energy: -5.176 local terms energy: -743.307496 where: bonds (distance) C4'-P energy: -136.409 bonds (distance) P-C4' energy: -143.993 flat angles C4'-P-C4' energy: -154.399 flat angles P-C4'-P energy: -109.138 tors. eta vs tors. theta energy: -199.369 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: 3 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2350.519566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.519566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.519566 (E_RNA) where: Base-Base interactions energy: -1582.853 where: short stacking energy: -722.257 Base-Backbone interact. energy: -2.046 local terms energy: -765.620973 where: bonds (distance) C4'-P energy: -143.860 bonds (distance) P-C4' energy: -166.433 flat angles C4'-P-C4' energy: -160.656 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -195.291 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: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2159.455837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.455837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.455837 (E_RNA) where: Base-Base interactions energy: -1462.640 where: short stacking energy: -661.459 Base-Backbone interact. energy: 0.953 local terms energy: -697.768936 where: bonds (distance) C4'-P energy: -139.030 bonds (distance) P-C4' energy: -127.701 flat angles C4'-P-C4' energy: -151.584 flat angles P-C4'-P energy: -103.534 tors. eta vs tors. theta energy: -175.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1906.409322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.409322 (E_RNA) where: Base-Base interactions energy: -1285.229 where: short stacking energy: -592.128 Base-Backbone interact. energy: 7.402 local terms energy: -628.583206 where: bonds (distance) C4'-P energy: -135.450 bonds (distance) P-C4' energy: -133.355 flat angles C4'-P-C4' energy: -154.447 flat angles P-C4'-P energy: -80.991 tors. eta vs tors. theta energy: -124.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1789.632117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.632117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.632117 (E_RNA) where: Base-Base interactions energy: -1157.915 where: short stacking energy: -533.720 Base-Backbone interact. energy: 4.309 local terms energy: -636.025838 where: bonds (distance) C4'-P energy: -119.402 bonds (distance) P-C4' energy: -144.799 flat angles C4'-P-C4' energy: -144.959 flat angles P-C4'-P energy: -101.439 tors. eta vs tors. theta energy: -125.426 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1368.139189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.139189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.139189 (E_RNA) where: Base-Base interactions energy: -841.506 where: short stacking energy: -434.707 Base-Backbone interact. energy: 6.152 local terms energy: -532.784899 where: bonds (distance) C4'-P energy: -131.517 bonds (distance) P-C4' energy: -132.220 flat angles C4'-P-C4' energy: -118.394 flat angles P-C4'-P energy: -72.866 tors. eta vs tors. theta energy: -77.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1175.154990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.154990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.154990 (E_RNA) where: Base-Base interactions energy: -676.527 where: short stacking energy: -327.800 Base-Backbone interact. energy: 7.359 local terms energy: -505.986878 where: bonds (distance) C4'-P energy: -149.767 bonds (distance) P-C4' energy: -124.390 flat angles C4'-P-C4' energy: -126.600 flat angles P-C4'-P energy: -83.441 tors. eta vs tors. theta energy: -21.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3029.799873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.799873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.799873 (E_RNA) where: Base-Base interactions energy: -2114.422 where: short stacking energy: -897.886 Base-Backbone interact. energy: -1.319 local terms energy: -914.059307 where: bonds (distance) C4'-P energy: -166.668 bonds (distance) P-C4' energy: -166.388 flat angles C4'-P-C4' energy: -191.192 flat angles P-C4'-P energy: -132.656 tors. eta vs tors. theta energy: -257.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2781.204584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.204584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.204584 (E_RNA) where: Base-Base interactions energy: -1957.980 where: short stacking energy: -783.082 Base-Backbone interact. energy: 5.686 local terms energy: -828.910618 where: bonds (distance) C4'-P energy: -170.042 bonds (distance) P-C4' energy: -165.202 flat angles C4'-P-C4' energy: -177.358 flat angles P-C4'-P energy: -120.002 tors. eta vs tors. theta energy: -196.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2639.164395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.164395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.164395 (E_RNA) where: Base-Base interactions energy: -1785.156 where: short stacking energy: -836.937 Base-Backbone interact. energy: -2.432 local terms energy: -851.576146 where: bonds (distance) C4'-P energy: -155.860 bonds (distance) P-C4' energy: -156.320 flat angles C4'-P-C4' energy: -186.687 flat angles P-C4'-P energy: -123.978 tors. eta vs tors. theta energy: -228.731 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: 7 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2514.692547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.692547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.692547 (E_RNA) where: Base-Base interactions energy: -1717.681 where: short stacking energy: -725.349 Base-Backbone interact. energy: -3.704 local terms energy: -793.307934 where: bonds (distance) C4'-P energy: -148.628 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -199.626 flat angles P-C4'-P energy: -109.624 tors. eta vs tors. theta energy: -190.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2359.630964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.630964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.630964 (E_RNA) where: Base-Base interactions energy: -1588.271 where: short stacking energy: -729.425 Base-Backbone interact. energy: -1.076 local terms energy: -770.283696 where: bonds (distance) C4'-P energy: -145.762 bonds (distance) P-C4' energy: -150.646 flat angles C4'-P-C4' energy: -176.895 flat angles P-C4'-P energy: -87.490 tors. eta vs tors. theta energy: -209.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2127.332049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.332049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.332049 (E_RNA) where: Base-Base interactions energy: -1430.111 where: short stacking energy: -622.929 Base-Backbone interact. energy: 3.397 local terms energy: -700.618689 where: bonds (distance) C4'-P energy: -140.755 bonds (distance) P-C4' energy: -159.998 flat angles C4'-P-C4' energy: -158.612 flat angles P-C4'-P energy: -88.008 tors. eta vs tors. theta energy: -153.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1919.989594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.989594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.989594 (E_RNA) where: Base-Base interactions energy: -1263.355 where: short stacking energy: -540.932 Base-Backbone interact. energy: -1.848 local terms energy: -654.787058 where: bonds (distance) C4'-P energy: -127.309 bonds (distance) P-C4' energy: -144.263 flat angles C4'-P-C4' energy: -158.509 flat angles P-C4'-P energy: -100.638 tors. eta vs tors. theta energy: -124.068 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: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1826.060584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.060584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.060584 (E_RNA) where: Base-Base interactions energy: -1227.610 where: short stacking energy: -575.874 Base-Backbone interact. energy: 0.123 local terms energy: -598.573816 where: bonds (distance) C4'-P energy: -123.793 bonds (distance) P-C4' energy: -151.505 flat angles C4'-P-C4' energy: -121.023 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -121.541 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: 180 Temperature: 1.300000 Total energy: -1355.412337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.412337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.412337 (E_RNA) where: Base-Base interactions energy: -833.908 where: short stacking energy: -379.589 Base-Backbone interact. energy: 2.821 local terms energy: -524.324678 where: bonds (distance) C4'-P energy: -129.908 bonds (distance) P-C4' energy: -131.596 flat angles C4'-P-C4' energy: -124.925 flat angles P-C4'-P energy: -91.220 tors. eta vs tors. theta energy: -46.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1100.358891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.358891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.358891 (E_RNA) where: Base-Base interactions energy: -613.660 where: short stacking energy: -314.257 Base-Backbone interact. energy: 0.158 local terms energy: -486.856869 where: bonds (distance) C4'-P energy: -120.036 bonds (distance) P-C4' energy: -152.835 flat angles C4'-P-C4' energy: -124.942 flat angles P-C4'-P energy: -62.086 tors. eta vs tors. theta energy: -26.957 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: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3024.139845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.139845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.139845 (E_RNA) where: Base-Base interactions energy: -2104.936 where: short stacking energy: -913.842 Base-Backbone interact. energy: -0.903 local terms energy: -918.300642 where: bonds (distance) C4'-P energy: -170.817 bonds (distance) P-C4' energy: -168.534 flat angles C4'-P-C4' energy: -182.335 flat angles P-C4'-P energy: -130.227 tors. eta vs tors. theta energy: -266.388 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: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -2758.024831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.024831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.024831 (E_RNA) where: Base-Base interactions energy: -1937.546 where: short stacking energy: -794.037 Base-Backbone interact. energy: -6.783 local terms energy: -813.696360 where: bonds (distance) C4'-P energy: -163.842 bonds (distance) P-C4' energy: -150.438 flat angles C4'-P-C4' energy: -175.145 flat angles P-C4'-P energy: -111.718 tors. eta vs tors. theta energy: -212.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2673.179576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.179576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.179576 (E_RNA) where: Base-Base interactions energy: -1822.259 where: short stacking energy: -845.071 Base-Backbone interact. energy: -2.532 local terms energy: -848.388401 where: bonds (distance) C4'-P energy: -147.311 bonds (distance) P-C4' energy: -159.133 flat angles C4'-P-C4' energy: -181.653 flat angles P-C4'-P energy: -124.963 tors. eta vs tors. theta energy: -235.329 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: 7 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2489.744701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.744701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.744701 (E_RNA) where: Base-Base interactions energy: -1702.801 where: short stacking energy: -708.478 Base-Backbone interact. energy: -1.314 local terms energy: -785.629335 where: bonds (distance) C4'-P energy: -158.131 bonds (distance) P-C4' energy: -147.521 flat angles C4'-P-C4' energy: -180.024 flat angles P-C4'-P energy: -112.598 tors. eta vs tors. theta energy: -187.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2344.420655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.420655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.420655 (E_RNA) where: Base-Base interactions energy: -1573.495 where: short stacking energy: -756.358 Base-Backbone interact. energy: -3.071 local terms energy: -767.854397 where: bonds (distance) C4'-P energy: -137.612 bonds (distance) P-C4' energy: -141.162 flat angles C4'-P-C4' energy: -171.077 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -214.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2251.367039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.367039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.367039 (E_RNA) where: Base-Base interactions energy: -1522.380 where: short stacking energy: -682.754 Base-Backbone interact. energy: -2.764 local terms energy: -726.223560 where: bonds (distance) C4'-P energy: -125.873 bonds (distance) P-C4' energy: -151.054 flat angles C4'-P-C4' energy: -180.351 flat angles P-C4'-P energy: -107.026 tors. eta vs tors. theta energy: -161.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1970.543586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.543586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.543586 (E_RNA) where: Base-Base interactions energy: -1332.207 where: short stacking energy: -589.097 Base-Backbone interact. energy: 1.801 local terms energy: -640.137578 where: bonds (distance) C4'-P energy: -136.737 bonds (distance) P-C4' energy: -150.774 flat angles C4'-P-C4' energy: -148.135 flat angles P-C4'-P energy: -69.883 tors. eta vs tors. theta energy: -134.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -1734.825444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.825444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.825444 (E_RNA) where: Base-Base interactions energy: -1144.879 where: short stacking energy: -555.100 Base-Backbone interact. energy: -5.455 local terms energy: -584.491320 where: bonds (distance) C4'-P energy: -129.750 bonds (distance) P-C4' energy: -146.499 flat angles C4'-P-C4' energy: -143.213 flat angles P-C4'-P energy: -68.693 tors. eta vs tors. theta energy: -96.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1445.300477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.300477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.300477 (E_RNA) where: Base-Base interactions energy: -908.106 where: short stacking energy: -447.277 Base-Backbone interact. energy: 0.937 local terms energy: -538.131091 where: bonds (distance) C4'-P energy: -122.258 bonds (distance) P-C4' energy: -128.157 flat angles C4'-P-C4' energy: -138.892 flat angles P-C4'-P energy: -87.361 tors. eta vs tors. theta energy: -61.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1180.811893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.811893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.811893 (E_RNA) where: Base-Base interactions energy: -703.062 where: short stacking energy: -363.195 Base-Backbone interact. energy: 2.595 local terms energy: -480.345453 where: bonds (distance) C4'-P energy: -105.952 bonds (distance) P-C4' energy: -150.446 flat angles C4'-P-C4' energy: -112.884 flat angles P-C4'-P energy: -76.462 tors. eta vs tors. theta energy: -34.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3008.166518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.166518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.166518 (E_RNA) where: Base-Base interactions energy: -2107.962 where: short stacking energy: -922.212 Base-Backbone interact. energy: -2.759 local terms energy: -897.445202 where: bonds (distance) C4'-P energy: -156.482 bonds (distance) P-C4' energy: -156.972 flat angles C4'-P-C4' energy: -189.775 flat angles P-C4'-P energy: -131.327 tors. eta vs tors. theta energy: -262.890 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: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -2750.130446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.130446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.130446 (E_RNA) where: Base-Base interactions energy: -1934.768 where: short stacking energy: -783.960 Base-Backbone interact. energy: -1.146 local terms energy: -814.215970 where: bonds (distance) C4'-P energy: -163.580 bonds (distance) P-C4' energy: -149.230 flat angles C4'-P-C4' energy: -178.497 flat angles P-C4'-P energy: -102.964 tors. eta vs tors. theta energy: -219.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -2671.490285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.490285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.490285 (E_RNA) where: Base-Base interactions energy: -1856.998 where: short stacking energy: -841.526 Base-Backbone interact. energy: -4.556 local terms energy: -809.936433 where: bonds (distance) C4'-P energy: -139.019 bonds (distance) P-C4' energy: -172.506 flat angles C4'-P-C4' energy: -166.244 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -225.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2490.820852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.820852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.820852 (E_RNA) where: Base-Base interactions energy: -1742.934 where: short stacking energy: -733.461 Base-Backbone interact. energy: -4.399 local terms energy: -743.487549 where: bonds (distance) C4'-P energy: -143.207 bonds (distance) P-C4' energy: -162.147 flat angles C4'-P-C4' energy: -168.713 flat angles P-C4'-P energy: -95.662 tors. eta vs tors. theta energy: -173.759 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: 3 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2423.852143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.852143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.852143 (E_RNA) where: Base-Base interactions energy: -1602.431 where: short stacking energy: -712.216 Base-Backbone interact. energy: 4.246 local terms energy: -825.666912 where: bonds (distance) C4'-P energy: -173.885 bonds (distance) P-C4' energy: -167.162 flat angles C4'-P-C4' energy: -161.656 flat angles P-C4'-P energy: -119.138 tors. eta vs tors. theta energy: -203.825 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: 10 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2211.190275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.190275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.190275 (E_RNA) where: Base-Base interactions energy: -1494.029 where: short stacking energy: -640.004 Base-Backbone interact. energy: -1.806 local terms energy: -715.355130 where: bonds (distance) C4'-P energy: -135.256 bonds (distance) P-C4' energy: -128.838 flat angles C4'-P-C4' energy: -174.510 flat angles P-C4'-P energy: -92.297 tors. eta vs tors. theta energy: -184.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1971.875097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.875097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.875097 (E_RNA) where: Base-Base interactions energy: -1309.390 where: short stacking energy: -593.885 Base-Backbone interact. energy: -3.009 local terms energy: -659.475808 where: bonds (distance) C4'-P energy: -123.504 bonds (distance) P-C4' energy: -160.516 flat angles C4'-P-C4' energy: -168.195 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -120.937 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1783.657034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.657034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.657034 (E_RNA) where: Base-Base interactions energy: -1184.799 where: short stacking energy: -560.390 Base-Backbone interact. energy: -2.675 local terms energy: -596.182617 where: bonds (distance) C4'-P energy: -107.669 bonds (distance) P-C4' energy: -146.873 flat angles C4'-P-C4' energy: -132.790 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -110.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1406.172732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.172732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.172732 (E_RNA) where: Base-Base interactions energy: -862.022 where: short stacking energy: -420.707 Base-Backbone interact. energy: 0.529 local terms energy: -544.679081 where: bonds (distance) C4'-P energy: -135.920 bonds (distance) P-C4' energy: -133.574 flat angles C4'-P-C4' energy: -139.835 flat angles P-C4'-P energy: -74.175 tors. eta vs tors. theta energy: -61.175 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: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1126.366966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.366966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.366966 (E_RNA) where: Base-Base interactions energy: -609.967 where: short stacking energy: -296.165 Base-Backbone interact. energy: 1.740 local terms energy: -518.139362 where: bonds (distance) C4'-P energy: -123.544 bonds (distance) P-C4' energy: -145.024 flat angles C4'-P-C4' energy: -135.098 flat angles P-C4'-P energy: -78.947 tors. eta vs tors. theta energy: -35.526 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: 183 Temperature: 0.900000 Total energy: -3051.653306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.653306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.653306 (E_RNA) where: Base-Base interactions energy: -2159.303 where: short stacking energy: -941.003 Base-Backbone interact. energy: -0.838 local terms energy: -891.512139 where: bonds (distance) C4'-P energy: -144.290 bonds (distance) P-C4' energy: -149.933 flat angles C4'-P-C4' energy: -200.785 flat angles P-C4'-P energy: -125.298 tors. eta vs tors. theta energy: -271.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -2714.383589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.383589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.383589 (E_RNA) where: Base-Base interactions energy: -1901.695 where: short stacking energy: -747.632 Base-Backbone interact. energy: -3.957 local terms energy: -808.731574 where: bonds (distance) C4'-P energy: -165.365 bonds (distance) P-C4' energy: -173.088 flat angles C4'-P-C4' energy: -161.562 flat angles P-C4'-P energy: -115.204 tors. eta vs tors. theta energy: -193.513 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: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2667.903808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.903808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.903808 (E_RNA) where: Base-Base interactions energy: -1838.277 where: short stacking energy: -824.552 Base-Backbone interact. energy: 0.314 local terms energy: -829.941301 where: bonds (distance) C4'-P energy: -164.683 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -162.430 flat angles P-C4'-P energy: -117.386 tors. eta vs tors. theta energy: -235.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2488.325359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.325359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.325359 (E_RNA) where: Base-Base interactions energy: -1728.127 where: short stacking energy: -749.377 Base-Backbone interact. energy: -2.322 local terms energy: -757.876987 where: bonds (distance) C4'-P energy: -129.793 bonds (distance) P-C4' energy: -158.184 flat angles C4'-P-C4' energy: -180.208 flat angles P-C4'-P energy: -104.340 tors. eta vs tors. theta energy: -185.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2424.730078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.730078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.730078 (E_RNA) where: Base-Base interactions energy: -1602.616 where: short stacking energy: -741.093 Base-Backbone interact. energy: -2.887 local terms energy: -819.227228 where: bonds (distance) C4'-P energy: -151.035 bonds (distance) P-C4' energy: -171.994 flat angles C4'-P-C4' energy: -175.348 flat angles P-C4'-P energy: -119.583 tors. eta vs tors. theta energy: -201.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2215.315175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.315175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.315175 (E_RNA) where: Base-Base interactions energy: -1530.040 where: short stacking energy: -656.960 Base-Backbone interact. energy: -0.870 local terms energy: -684.404545 where: bonds (distance) C4'-P energy: -134.163 bonds (distance) P-C4' energy: -127.696 flat angles C4'-P-C4' energy: -154.551 flat angles P-C4'-P energy: -104.107 tors. eta vs tors. theta energy: -163.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1957.610610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.610610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.610610 (E_RNA) where: Base-Base interactions energy: -1299.400 where: short stacking energy: -597.906 Base-Backbone interact. energy: 0.763 local terms energy: -658.973504 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -133.737 flat angles C4'-P-C4' energy: -145.074 flat angles P-C4'-P energy: -81.657 tors. eta vs tors. theta energy: -140.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1773.018316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.018316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.018316 (E_RNA) where: Base-Base interactions energy: -1168.563 where: short stacking energy: -511.331 Base-Backbone interact. energy: 5.135 local terms energy: -609.590222 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -131.820 flat angles P-C4'-P energy: -94.918 tors. eta vs tors. theta energy: -107.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1394.014987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.014987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.014987 (E_RNA) where: Base-Base interactions energy: -843.982 where: short stacking energy: -416.362 Base-Backbone interact. energy: -0.186 local terms energy: -549.846301 where: bonds (distance) C4'-P energy: -147.647 bonds (distance) P-C4' energy: -130.206 flat angles C4'-P-C4' energy: -117.276 flat angles P-C4'-P energy: -90.063 tors. eta vs tors. theta energy: -64.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1126.164570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.164570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.164570 (E_RNA) where: Base-Base interactions energy: -622.361 where: short stacking energy: -347.932 Base-Backbone interact. energy: 0.327 local terms energy: -504.130510 where: bonds (distance) C4'-P energy: -109.499 bonds (distance) P-C4' energy: -150.579 flat angles C4'-P-C4' energy: -124.005 flat angles P-C4'-P energy: -83.527 tors. eta vs tors. theta energy: -36.520 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: 184 Temperature: 0.900000 Total energy: -3016.086114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.086114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.086114 (E_RNA) where: Base-Base interactions energy: -2089.961 where: short stacking energy: -931.551 Base-Backbone interact. energy: -2.609 local terms energy: -923.515800 where: bonds (distance) C4'-P energy: -179.569 bonds (distance) P-C4' energy: -164.077 flat angles C4'-P-C4' energy: -187.544 flat angles P-C4'-P energy: -125.832 tors. eta vs tors. theta energy: -266.494 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: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -2704.441427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.441427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.441427 (E_RNA) where: Base-Base interactions energy: -1902.188 where: short stacking energy: -758.844 Base-Backbone interact. energy: -4.799 local terms energy: -797.453921 where: bonds (distance) C4'-P energy: -164.829 bonds (distance) P-C4' energy: -167.842 flat angles C4'-P-C4' energy: -164.911 flat angles P-C4'-P energy: -112.945 tors. eta vs tors. theta energy: -186.925 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: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2684.224058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.224058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.224058 (E_RNA) where: Base-Base interactions energy: -1858.750 where: short stacking energy: -827.991 Base-Backbone interact. energy: -4.177 local terms energy: -821.296272 where: bonds (distance) C4'-P energy: -146.504 bonds (distance) P-C4' energy: -173.996 flat angles C4'-P-C4' energy: -160.848 flat angles P-C4'-P energy: -103.322 tors. eta vs tors. theta energy: -236.627 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: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2500.222451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.222451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.222451 (E_RNA) where: Base-Base interactions energy: -1711.796 where: short stacking energy: -736.777 Base-Backbone interact. energy: -1.983 local terms energy: -786.443784 where: bonds (distance) C4'-P energy: -150.523 bonds (distance) P-C4' energy: -162.945 flat angles C4'-P-C4' energy: -172.383 flat angles P-C4'-P energy: -114.881 tors. eta vs tors. theta energy: -185.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2364.354223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.354223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.354223 (E_RNA) where: Base-Base interactions energy: -1592.213 where: short stacking energy: -705.609 Base-Backbone interact. energy: -3.088 local terms energy: -769.052589 where: bonds (distance) C4'-P energy: -149.604 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -172.059 flat angles P-C4'-P energy: -112.174 tors. eta vs tors. theta energy: -179.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2321.054799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.054799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.054799 (E_RNA) where: Base-Base interactions energy: -1574.087 where: short stacking energy: -676.719 Base-Backbone interact. energy: -4.118 local terms energy: -742.849359 where: bonds (distance) C4'-P energy: -150.000 bonds (distance) P-C4' energy: -138.079 flat angles C4'-P-C4' energy: -156.792 flat angles P-C4'-P energy: -107.657 tors. eta vs tors. theta energy: -190.320 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: 184 Temperature: 1.200000 Total energy: -2041.363894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.363894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.363894 (E_RNA) where: Base-Base interactions energy: -1360.105 where: short stacking energy: -613.846 Base-Backbone interact. energy: -4.061 local terms energy: -677.197778 where: bonds (distance) C4'-P energy: -144.271 bonds (distance) P-C4' energy: -148.584 flat angles C4'-P-C4' energy: -153.959 flat angles P-C4'-P energy: -89.744 tors. eta vs tors. theta energy: -140.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1737.520158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.520158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.520158 (E_RNA) where: Base-Base interactions energy: -1109.713 where: short stacking energy: -501.244 Base-Backbone interact. energy: 0.347 local terms energy: -628.154383 where: bonds (distance) C4'-P energy: -137.996 bonds (distance) P-C4' energy: -154.669 flat angles C4'-P-C4' energy: -133.785 flat angles P-C4'-P energy: -116.685 tors. eta vs tors. theta energy: -85.020 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: 9, replica: 6 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1332.286479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.286479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.286479 (E_RNA) where: Base-Base interactions energy: -815.643 where: short stacking energy: -358.423 Base-Backbone interact. energy: 2.842 local terms energy: -519.484906 where: bonds (distance) C4'-P energy: -134.118 bonds (distance) P-C4' energy: -142.134 flat angles C4'-P-C4' energy: -141.296 flat angles P-C4'-P energy: -83.173 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: 8 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1119.431163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.431163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.431163 (E_RNA) where: Base-Base interactions energy: -608.849 where: short stacking energy: -304.398 Base-Backbone interact. energy: -0.427 local terms energy: -510.154919 where: bonds (distance) C4'-P energy: -132.731 bonds (distance) P-C4' energy: -143.450 flat angles C4'-P-C4' energy: -126.041 flat angles P-C4'-P energy: -73.173 tors. eta vs tors. theta energy: -34.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3031.472907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.472907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.472907 (E_RNA) where: Base-Base interactions energy: -2108.016 where: short stacking energy: -905.072 Base-Backbone interact. energy: -3.762 local terms energy: -919.695090 where: bonds (distance) C4'-P energy: -168.018 bonds (distance) P-C4' energy: -179.524 flat angles C4'-P-C4' energy: -191.369 flat angles P-C4'-P energy: -119.381 tors. eta vs tors. theta energy: -261.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -2725.569942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.569942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.569942 (E_RNA) where: Base-Base interactions energy: -1860.152 where: short stacking energy: -841.368 Base-Backbone interact. energy: -2.310 local terms energy: -863.107849 where: bonds (distance) C4'-P energy: -155.082 bonds (distance) P-C4' energy: -157.899 flat angles C4'-P-C4' energy: -174.901 flat angles P-C4'-P energy: -124.783 tors. eta vs tors. theta energy: -250.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2676.728585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.728585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.728585 (E_RNA) where: Base-Base interactions energy: -1887.414 where: short stacking energy: -739.290 Base-Backbone interact. energy: -3.282 local terms energy: -786.032990 where: bonds (distance) C4'-P energy: -150.078 bonds (distance) P-C4' energy: -153.877 flat angles C4'-P-C4' energy: -163.573 flat angles P-C4'-P energy: -115.781 tors. eta vs tors. theta energy: -202.723 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: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2501.490682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.490682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.490682 (E_RNA) where: Base-Base interactions energy: -1715.852 where: short stacking energy: -711.484 Base-Backbone interact. energy: -0.042 local terms energy: -785.597116 where: bonds (distance) C4'-P energy: -149.135 bonds (distance) P-C4' energy: -164.682 flat angles C4'-P-C4' energy: -164.223 flat angles P-C4'-P energy: -120.554 tors. eta vs tors. theta energy: -187.004 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: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2392.616250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.616250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.616250 (E_RNA) where: Base-Base interactions energy: -1600.504 where: short stacking energy: -720.543 Base-Backbone interact. energy: -4.631 local terms energy: -787.481434 where: bonds (distance) C4'-P energy: -136.339 bonds (distance) P-C4' energy: -146.464 flat angles C4'-P-C4' energy: -175.655 flat angles P-C4'-P energy: -117.678 tors. eta vs tors. theta energy: -211.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2326.498688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.498688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.498688 (E_RNA) where: Base-Base interactions energy: -1607.372 where: short stacking energy: -690.401 Base-Backbone interact. energy: -0.736 local terms energy: -718.390474 where: bonds (distance) C4'-P energy: -153.192 bonds (distance) P-C4' energy: -145.251 flat angles C4'-P-C4' energy: -140.200 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -181.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1934.342821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.342821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.342821 (E_RNA) where: Base-Base interactions energy: -1270.750 where: short stacking energy: -590.147 Base-Backbone interact. energy: 2.142 local terms energy: -665.734961 where: bonds (distance) C4'-P energy: -142.158 bonds (distance) P-C4' energy: -145.960 flat angles C4'-P-C4' energy: -150.546 flat angles P-C4'-P energy: -101.670 tors. eta vs tors. theta energy: -125.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1680.644586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.644586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.644586 (E_RNA) where: Base-Base interactions energy: -1119.643 where: short stacking energy: -516.250 Base-Backbone interact. energy: 3.594 local terms energy: -564.595610 where: bonds (distance) C4'-P energy: -123.136 bonds (distance) P-C4' energy: -140.879 flat angles C4'-P-C4' energy: -124.249 flat angles P-C4'-P energy: -94.536 tors. eta vs tors. theta energy: -81.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1344.931115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.931115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.931115 (E_RNA) where: Base-Base interactions energy: -812.149 where: short stacking energy: -388.242 Base-Backbone interact. energy: 1.302 local terms energy: -534.083927 where: bonds (distance) C4'-P energy: -143.914 bonds (distance) P-C4' energy: -123.487 flat angles C4'-P-C4' energy: -138.577 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -47.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -972.502654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.502654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.502654 (E_RNA) where: Base-Base interactions energy: -502.775 where: short stacking energy: -268.155 Base-Backbone interact. energy: 0.196 local terms energy: -469.923067 where: bonds (distance) C4'-P energy: -137.090 bonds (distance) P-C4' energy: -148.928 flat angles C4'-P-C4' energy: -112.992 flat angles P-C4'-P energy: -71.591 tors. eta vs tors. theta energy: 0.679 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: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3028.502110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.502110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.502110 (E_RNA) where: Base-Base interactions energy: -2098.698 where: short stacking energy: -941.306 Base-Backbone interact. energy: -4.122 local terms energy: -925.681901 where: bonds (distance) C4'-P energy: -168.394 bonds (distance) P-C4' energy: -166.388 flat angles C4'-P-C4' energy: -197.646 flat angles P-C4'-P energy: -128.274 tors. eta vs tors. theta energy: -264.980 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: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -2749.119940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.119940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.119940 (E_RNA) where: Base-Base interactions energy: -1885.118 where: short stacking energy: -855.607 Base-Backbone interact. energy: 1.991 local terms energy: -865.993291 where: bonds (distance) C4'-P energy: -158.200 bonds (distance) P-C4' energy: -165.626 flat angles C4'-P-C4' energy: -175.762 flat angles P-C4'-P energy: -130.258 tors. eta vs tors. theta energy: -236.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2640.579837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.579837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.579837 (E_RNA) where: Base-Base interactions energy: -1879.229 where: short stacking energy: -751.885 Base-Backbone interact. energy: 10.449 local terms energy: -771.800099 where: bonds (distance) C4'-P energy: -156.359 bonds (distance) P-C4' energy: -159.759 flat angles C4'-P-C4' energy: -165.170 flat angles P-C4'-P energy: -94.521 tors. eta vs tors. theta energy: -195.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2492.139174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.139174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.139174 (E_RNA) where: Base-Base interactions energy: -1713.417 where: short stacking energy: -776.503 Base-Backbone interact. energy: -1.803 local terms energy: -776.918580 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -139.792 flat angles C4'-P-C4' energy: -174.612 flat angles P-C4'-P energy: -119.671 tors. eta vs tors. theta energy: -196.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2410.640748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.640748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.640748 (E_RNA) where: Base-Base interactions energy: -1627.185 where: short stacking energy: -737.824 Base-Backbone interact. energy: -3.176 local terms energy: -780.279588 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -177.535 flat angles P-C4'-P energy: -103.936 tors. eta vs tors. theta energy: -201.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2298.883227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.883227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.883227 (E_RNA) where: Base-Base interactions energy: -1562.714 where: short stacking energy: -663.786 Base-Backbone interact. energy: 3.262 local terms energy: -739.430729 where: bonds (distance) C4'-P energy: -124.078 bonds (distance) P-C4' energy: -150.736 flat angles C4'-P-C4' energy: -160.659 flat angles P-C4'-P energy: -115.814 tors. eta vs tors. theta energy: -188.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1895.073838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.073838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.073838 (E_RNA) where: Base-Base interactions energy: -1237.012 where: short stacking energy: -565.908 Base-Backbone interact. energy: 0.982 local terms energy: -659.043149 where: bonds (distance) C4'-P energy: -137.428 bonds (distance) P-C4' energy: -147.544 flat angles C4'-P-C4' energy: -158.260 flat angles P-C4'-P energy: -96.733 tors. eta vs tors. theta energy: -119.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1711.267053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.267053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.267053 (E_RNA) where: Base-Base interactions energy: -1104.786 where: short stacking energy: -501.888 Base-Backbone interact. energy: -0.475 local terms energy: -606.006103 where: bonds (distance) C4'-P energy: -145.974 bonds (distance) P-C4' energy: -133.712 flat angles C4'-P-C4' energy: -124.547 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -108.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1240.941563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.941563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.941563 (E_RNA) where: Base-Base interactions energy: -722.196 where: short stacking energy: -355.576 Base-Backbone interact. energy: -4.273 local terms energy: -514.472564 where: bonds (distance) C4'-P energy: -138.022 bonds (distance) P-C4' energy: -139.533 flat angles C4'-P-C4' energy: -123.655 flat angles P-C4'-P energy: -77.306 tors. eta vs tors. theta energy: -35.957 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: 8 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -969.407836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.407836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.407836 (E_RNA) where: Base-Base interactions energy: -520.076 where: short stacking energy: -262.258 Base-Backbone interact. energy: 5.404 local terms energy: -454.735930 where: bonds (distance) C4'-P energy: -131.833 bonds (distance) P-C4' energy: -120.692 flat angles C4'-P-C4' energy: -107.550 flat angles P-C4'-P energy: -97.920 tors. eta vs tors. theta energy: 3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3003.415968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.415968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.415968 (E_RNA) where: Base-Base interactions energy: -2134.627 where: short stacking energy: -934.804 Base-Backbone interact. energy: 5.232 local terms energy: -874.021212 where: bonds (distance) C4'-P energy: -146.995 bonds (distance) P-C4' energy: -136.736 flat angles C4'-P-C4' energy: -184.478 flat angles P-C4'-P energy: -134.131 tors. eta vs tors. theta energy: -271.681 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: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -2716.001067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.001067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.001067 (E_RNA) where: Base-Base interactions energy: -1833.093 where: short stacking energy: -845.271 Base-Backbone interact. energy: -1.712 local terms energy: -881.195760 where: bonds (distance) C4'-P energy: -168.581 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -185.584 flat angles P-C4'-P energy: -126.751 tors. eta vs tors. theta energy: -229.418 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: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2636.710241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.710241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.710241 (E_RNA) where: Base-Base interactions energy: -1837.985 where: short stacking energy: -737.348 Base-Backbone interact. energy: -6.993 local terms energy: -791.731904 where: bonds (distance) C4'-P energy: -156.830 bonds (distance) P-C4' energy: -161.711 flat angles C4'-P-C4' energy: -173.621 flat angles P-C4'-P energy: -103.034 tors. eta vs tors. theta energy: -196.536 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: 4, replica: 7 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2548.183423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.183423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.183423 (E_RNA) where: Base-Base interactions energy: -1743.287 where: short stacking energy: -778.348 Base-Backbone interact. energy: -3.228 local terms energy: -801.668767 where: bonds (distance) C4'-P energy: -161.921 bonds (distance) P-C4' energy: -169.293 flat angles C4'-P-C4' energy: -175.296 flat angles P-C4'-P energy: -113.406 tors. eta vs tors. theta energy: -181.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2391.653184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.653184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.653184 (E_RNA) where: Base-Base interactions energy: -1626.277 where: short stacking energy: -768.103 Base-Backbone interact. energy: -2.112 local terms energy: -763.264231 where: bonds (distance) C4'-P energy: -138.240 bonds (distance) P-C4' energy: -140.755 flat angles C4'-P-C4' energy: -165.053 flat angles P-C4'-P energy: -116.573 tors. eta vs tors. theta energy: -202.644 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: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2303.101741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.101741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.101741 (E_RNA) where: Base-Base interactions energy: -1576.583 where: short stacking energy: -672.946 Base-Backbone interact. energy: -2.378 local terms energy: -724.140626 where: bonds (distance) C4'-P energy: -131.207 bonds (distance) P-C4' energy: -151.210 flat angles C4'-P-C4' energy: -151.043 flat angles P-C4'-P energy: -113.302 tors. eta vs tors. theta energy: -177.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1913.509165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.509165 (E_RNA) where: Base-Base interactions energy: -1293.231 where: short stacking energy: -568.302 Base-Backbone interact. energy: -0.510 local terms energy: -619.768822 where: bonds (distance) C4'-P energy: -129.594 bonds (distance) P-C4' energy: -124.428 flat angles C4'-P-C4' energy: -151.044 flat angles P-C4'-P energy: -96.002 tors. eta vs tors. theta energy: -118.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1795.441517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.441517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.441517 (E_RNA) where: Base-Base interactions energy: -1151.192 where: short stacking energy: -555.725 Base-Backbone interact. energy: 0.420 local terms energy: -644.669786 where: bonds (distance) C4'-P energy: -114.259 bonds (distance) P-C4' energy: -146.786 flat angles C4'-P-C4' energy: -151.178 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -135.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1279.558549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.558549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.558549 (E_RNA) where: Base-Base interactions energy: -786.411 where: short stacking energy: -408.599 Base-Backbone interact. energy: 3.088 local terms energy: -496.234845 where: bonds (distance) C4'-P energy: -143.574 bonds (distance) P-C4' energy: -133.922 flat angles C4'-P-C4' energy: -118.916 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -29.928 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: 10, replica: 8 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1041.634468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.634468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.634468 (E_RNA) where: Base-Base interactions energy: -563.998 where: short stacking energy: -323.055 Base-Backbone interact. energy: -0.045 local terms energy: -477.590981 where: bonds (distance) C4'-P energy: -129.768 bonds (distance) P-C4' energy: -141.448 flat angles C4'-P-C4' energy: -109.649 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -46.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -2991.494858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.494858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.494858 (E_RNA) where: Base-Base interactions energy: -2100.897 where: short stacking energy: -904.419 Base-Backbone interact. energy: -2.022 local terms energy: -888.575667 where: bonds (distance) C4'-P energy: -166.461 bonds (distance) P-C4' energy: -153.381 flat angles C4'-P-C4' energy: -188.212 flat angles P-C4'-P energy: -123.016 tors. eta vs tors. theta energy: -257.505 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: 5 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -2769.421471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.421471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.421471 (E_RNA) where: Base-Base interactions energy: -1909.140 where: short stacking energy: -892.651 Base-Backbone interact. energy: -2.091 local terms energy: -858.191090 where: bonds (distance) C4'-P energy: -162.654 bonds (distance) P-C4' energy: -148.018 flat angles C4'-P-C4' energy: -182.453 flat angles P-C4'-P energy: -117.311 tors. eta vs tors. theta energy: -247.755 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: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2582.712170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.712170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.712170 (E_RNA) where: Base-Base interactions energy: -1819.262 where: short stacking energy: -726.143 Base-Backbone interact. energy: 0.177 local terms energy: -763.627252 where: bonds (distance) C4'-P energy: -151.679 bonds (distance) P-C4' energy: -145.532 flat angles C4'-P-C4' energy: -177.018 flat angles P-C4'-P energy: -107.823 tors. eta vs tors. theta energy: -181.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2546.292859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.292859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.292859 (E_RNA) where: Base-Base interactions energy: -1763.686 where: short stacking energy: -796.520 Base-Backbone interact. energy: -1.195 local terms energy: -781.411702 where: bonds (distance) C4'-P energy: -144.655 bonds (distance) P-C4' energy: -142.734 flat angles C4'-P-C4' energy: -176.587 flat angles P-C4'-P energy: -117.689 tors. eta vs tors. theta energy: -199.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2478.558392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.558392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.558392 (E_RNA) where: Base-Base interactions energy: -1697.731 where: short stacking energy: -763.226 Base-Backbone interact. energy: -1.759 local terms energy: -779.068305 where: bonds (distance) C4'-P energy: -138.501 bonds (distance) P-C4' energy: -140.554 flat angles C4'-P-C4' energy: -180.226 flat angles P-C4'-P energy: -104.784 tors. eta vs tors. theta energy: -215.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2342.713955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.713955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.713955 (E_RNA) where: Base-Base interactions energy: -1590.778 where: short stacking energy: -701.671 Base-Backbone interact. energy: -0.027 local terms energy: -751.908923 where: bonds (distance) C4'-P energy: -133.537 bonds (distance) P-C4' energy: -160.760 flat angles C4'-P-C4' energy: -160.628 flat angles P-C4'-P energy: -114.880 tors. eta vs tors. theta energy: -182.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1930.946614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.946614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.946614 (E_RNA) where: Base-Base interactions energy: -1270.804 where: short stacking energy: -560.609 Base-Backbone interact. energy: 0.673 local terms energy: -660.815928 where: bonds (distance) C4'-P energy: -137.856 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -154.607 flat angles P-C4'-P energy: -97.382 tors. eta vs tors. theta energy: -126.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1737.277755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.277755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.277755 (E_RNA) where: Base-Base interactions energy: -1130.418 where: short stacking energy: -502.611 Base-Backbone interact. energy: -2.151 local terms energy: -604.709257 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -150.013 flat angles C4'-P-C4' energy: -123.781 flat angles P-C4'-P energy: -90.620 tors. eta vs tors. theta energy: -108.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1197.075933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.075933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.075933 (E_RNA) where: Base-Base interactions energy: -702.061 where: short stacking energy: -321.942 Base-Backbone interact. energy: -1.268 local terms energy: -493.747078 where: bonds (distance) C4'-P energy: -125.481 bonds (distance) P-C4' energy: -139.664 flat angles C4'-P-C4' energy: -108.580 flat angles P-C4'-P energy: -83.586 tors. eta vs tors. theta energy: -36.436 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: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1097.339208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.339208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.339208 (E_RNA) where: Base-Base interactions energy: -590.348 where: short stacking energy: -344.657 Base-Backbone interact. energy: -3.895 local terms energy: -503.096978 where: bonds (distance) C4'-P energy: -135.456 bonds (distance) P-C4' energy: -150.878 flat angles C4'-P-C4' energy: -120.053 flat angles P-C4'-P energy: -58.838 tors. eta vs tors. theta energy: -37.871 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: 189 Temperature: 0.900000 Total energy: -3030.878786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.878786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.878786 (E_RNA) where: Base-Base interactions energy: -2109.056 where: short stacking energy: -929.505 Base-Backbone interact. energy: -2.643 local terms energy: -919.179254 where: bonds (distance) C4'-P energy: -166.285 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -204.744 flat angles P-C4'-P energy: -127.529 tors. eta vs tors. theta energy: -264.939 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: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -2741.111122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.111122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.111122 (E_RNA) where: Base-Base interactions energy: -1868.071 where: short stacking energy: -835.098 Base-Backbone interact. energy: -3.440 local terms energy: -869.599849 where: bonds (distance) C4'-P energy: -160.411 bonds (distance) P-C4' energy: -149.175 flat angles C4'-P-C4' energy: -185.072 flat angles P-C4'-P energy: -131.859 tors. eta vs tors. theta energy: -243.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2593.065216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.065216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.065216 (E_RNA) where: Base-Base interactions energy: -1803.500 where: short stacking energy: -753.816 Base-Backbone interact. energy: -2.879 local terms energy: -786.687199 where: bonds (distance) C4'-P energy: -152.679 bonds (distance) P-C4' energy: -155.235 flat angles C4'-P-C4' energy: -176.026 flat angles P-C4'-P energy: -106.738 tors. eta vs tors. theta energy: -196.009 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: 4, replica: 7 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2542.450429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.450429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.450429 (E_RNA) where: Base-Base interactions energy: -1756.854 where: short stacking energy: -780.293 Base-Backbone interact. energy: -2.103 local terms energy: -783.493371 where: bonds (distance) C4'-P energy: -129.278 bonds (distance) P-C4' energy: -155.646 flat angles C4'-P-C4' energy: -183.239 flat angles P-C4'-P energy: -123.638 tors. eta vs tors. theta energy: -191.693 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: 3 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2476.300662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.300662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.300662 (E_RNA) where: Base-Base interactions energy: -1695.061 where: short stacking energy: -771.306 Base-Backbone interact. energy: -2.832 local terms energy: -778.407156 where: bonds (distance) C4'-P energy: -143.378 bonds (distance) P-C4' energy: -144.519 flat angles C4'-P-C4' energy: -180.382 flat angles P-C4'-P energy: -99.342 tors. eta vs tors. theta energy: -210.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2356.059802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.059802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.059802 (E_RNA) where: Base-Base interactions energy: -1636.120 where: short stacking energy: -752.231 Base-Backbone interact. energy: 0.612 local terms energy: -720.551720 where: bonds (distance) C4'-P energy: -140.573 bonds (distance) P-C4' energy: -142.533 flat angles C4'-P-C4' energy: -156.151 flat angles P-C4'-P energy: -93.152 tors. eta vs tors. theta energy: -188.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1877.254701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.254701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.254701 (E_RNA) where: Base-Base interactions energy: -1214.391 where: short stacking energy: -567.492 Base-Backbone interact. energy: -0.395 local terms energy: -662.468759 where: bonds (distance) C4'-P energy: -125.965 bonds (distance) P-C4' energy: -157.742 flat angles C4'-P-C4' energy: -158.329 flat angles P-C4'-P energy: -99.144 tors. eta vs tors. theta energy: -121.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1720.126983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.126983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.126983 (E_RNA) where: Base-Base interactions energy: -1148.744 where: short stacking energy: -527.381 Base-Backbone interact. energy: 10.463 local terms energy: -581.846491 where: bonds (distance) C4'-P energy: -112.101 bonds (distance) P-C4' energy: -141.059 flat angles C4'-P-C4' energy: -151.037 flat angles P-C4'-P energy: -79.420 tors. eta vs tors. theta energy: -98.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1121.670572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.670572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.670572 (E_RNA) where: Base-Base interactions energy: -672.727 where: short stacking energy: -346.502 Base-Backbone interact. energy: -0.886 local terms energy: -448.057645 where: bonds (distance) C4'-P energy: -120.578 bonds (distance) P-C4' energy: -129.800 flat angles C4'-P-C4' energy: -113.384 flat angles P-C4'-P energy: -65.338 tors. eta vs tors. theta energy: -18.958 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: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1064.738368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.738368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.738368 (E_RNA) where: Base-Base interactions energy: -603.644 where: short stacking energy: -310.886 Base-Backbone interact. energy: -3.336 local terms energy: -457.758342 where: bonds (distance) C4'-P energy: -141.714 bonds (distance) P-C4' energy: -127.464 flat angles C4'-P-C4' energy: -96.667 flat angles P-C4'-P energy: -63.770 tors. eta vs tors. theta energy: -28.143 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: 1 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3031.479299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.479299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.479299 (E_RNA) where: Base-Base interactions energy: -2112.620 where: short stacking energy: -911.931 Base-Backbone interact. energy: -2.665 local terms energy: -916.194357 where: bonds (distance) C4'-P energy: -157.268 bonds (distance) P-C4' energy: -167.924 flat angles C4'-P-C4' energy: -204.350 flat angles P-C4'-P energy: -118.946 tors. eta vs tors. theta energy: -267.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -2718.203394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.203394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.203394 (E_RNA) where: Base-Base interactions energy: -1825.673 where: short stacking energy: -826.718 Base-Backbone interact. energy: -2.300 local terms energy: -890.230894 where: bonds (distance) C4'-P energy: -178.913 bonds (distance) P-C4' energy: -177.197 flat angles C4'-P-C4' energy: -183.057 flat angles P-C4'-P energy: -122.287 tors. eta vs tors. theta energy: -228.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2582.068731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.068731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.068731 (E_RNA) where: Base-Base interactions energy: -1747.426 where: short stacking energy: -778.403 Base-Backbone interact. energy: -5.028 local terms energy: -829.614808 where: bonds (distance) C4'-P energy: -164.648 bonds (distance) P-C4' energy: -155.338 flat angles C4'-P-C4' energy: -184.452 flat angles P-C4'-P energy: -125.860 tors. eta vs tors. theta energy: -199.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2538.354268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.354268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.354268 (E_RNA) where: Base-Base interactions energy: -1776.476 where: short stacking energy: -727.526 Base-Backbone interact. energy: 7.320 local terms energy: -769.197880 where: bonds (distance) C4'-P energy: -163.892 bonds (distance) P-C4' energy: -143.713 flat angles C4'-P-C4' energy: -176.141 flat angles P-C4'-P energy: -99.856 tors. eta vs tors. theta energy: -185.596 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: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2431.165446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.165446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.165446 (E_RNA) where: Base-Base interactions energy: -1665.027 where: short stacking energy: -753.088 Base-Backbone interact. energy: 4.598 local terms energy: -770.736441 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -146.049 flat angles C4'-P-C4' energy: -171.916 flat angles P-C4'-P energy: -106.540 tors. eta vs tors. theta energy: -212.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2307.695895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.695895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.695895 (E_RNA) where: Base-Base interactions energy: -1577.628 where: short stacking energy: -671.024 Base-Backbone interact. energy: -3.269 local terms energy: -726.798342 where: bonds (distance) C4'-P energy: -130.473 bonds (distance) P-C4' energy: -138.923 flat angles C4'-P-C4' energy: -172.068 flat angles P-C4'-P energy: -106.968 tors. eta vs tors. theta energy: -178.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1854.954405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.954405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.954405 (E_RNA) where: Base-Base interactions energy: -1205.484 where: short stacking energy: -524.879 Base-Backbone interact. energy: -1.773 local terms energy: -647.697821 where: bonds (distance) C4'-P energy: -142.362 bonds (distance) P-C4' energy: -155.248 flat angles C4'-P-C4' energy: -147.405 flat angles P-C4'-P energy: -79.730 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: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1736.202861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.202861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.202861 (E_RNA) where: Base-Base interactions energy: -1142.844 where: short stacking energy: -518.300 Base-Backbone interact. energy: 1.471 local terms energy: -594.829342 where: bonds (distance) C4'-P energy: -153.460 bonds (distance) P-C4' energy: -136.875 flat angles C4'-P-C4' energy: -136.505 flat angles P-C4'-P energy: -80.938 tors. eta vs tors. theta energy: -87.051 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: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1115.455082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.455082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.455082 (E_RNA) where: Base-Base interactions energy: -630.467 where: short stacking energy: -330.516 Base-Backbone interact. energy: -3.684 local terms energy: -481.303661 where: bonds (distance) C4'-P energy: -123.468 bonds (distance) P-C4' energy: -121.233 flat angles C4'-P-C4' energy: -122.859 flat angles P-C4'-P energy: -84.827 tors. eta vs tors. theta energy: -28.916 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: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1038.783339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.783339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.783339 (E_RNA) where: Base-Base interactions energy: -581.351 where: short stacking energy: -305.937 Base-Backbone interact. energy: 4.365 local terms energy: -461.797274 where: bonds (distance) C4'-P energy: -140.670 bonds (distance) P-C4' energy: -135.714 flat angles C4'-P-C4' energy: -101.983 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -21.268 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: 191 Temperature: 0.900000 Total energy: -3007.420274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.420274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.420274 (E_RNA) where: Base-Base interactions energy: -2099.289 where: short stacking energy: -912.011 Base-Backbone interact. energy: -2.317 local terms energy: -905.814270 where: bonds (distance) C4'-P energy: -167.803 bonds (distance) P-C4' energy: -174.135 flat angles C4'-P-C4' energy: -186.618 flat angles P-C4'-P energy: -116.657 tors. eta vs tors. theta energy: -260.601 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: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -2748.824324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.824324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.824324 (E_RNA) where: Base-Base interactions energy: -1891.274 where: short stacking energy: -839.374 Base-Backbone interact. energy: -2.814 local terms energy: -854.736735 where: bonds (distance) C4'-P energy: -167.985 bonds (distance) P-C4' energy: -138.547 flat angles C4'-P-C4' energy: -184.572 flat angles P-C4'-P energy: -132.302 tors. eta vs tors. theta energy: -231.331 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: 7 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2597.548832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.548832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.548832 (E_RNA) where: Base-Base interactions energy: -1776.994 where: short stacking energy: -766.437 Base-Backbone interact. energy: -0.628 local terms energy: -819.926828 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -174.937 flat angles C4'-P-C4' energy: -179.184 flat angles P-C4'-P energy: -119.552 tors. eta vs tors. theta energy: -197.987 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: 191 Temperature: 1.050000 Total energy: -2485.660257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.660257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.660257 (E_RNA) where: Base-Base interactions energy: -1725.885 where: short stacking energy: -687.254 Base-Backbone interact. energy: -3.489 local terms energy: -756.286621 where: bonds (distance) C4'-P energy: -155.416 bonds (distance) P-C4' energy: -143.012 flat angles C4'-P-C4' energy: -169.909 flat angles P-C4'-P energy: -125.353 tors. eta vs tors. theta energy: -162.596 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: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2451.533537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.533537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.533537 (E_RNA) where: Base-Base interactions energy: -1637.294 where: short stacking energy: -749.304 Base-Backbone interact. energy: -1.151 local terms energy: -813.088717 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -166.500 flat angles C4'-P-C4' energy: -177.528 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -210.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2335.576150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.576150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.576150 (E_RNA) where: Base-Base interactions energy: -1588.595 where: short stacking energy: -663.913 Base-Backbone interact. energy: -2.512 local terms energy: -744.469234 where: bonds (distance) C4'-P energy: -129.318 bonds (distance) P-C4' energy: -168.787 flat angles C4'-P-C4' energy: -172.770 flat angles P-C4'-P energy: -95.991 tors. eta vs tors. theta energy: -177.604 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: 4 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1875.328383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.328383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.328383 (E_RNA) where: Base-Base interactions energy: -1208.672 where: short stacking energy: -548.647 Base-Backbone interact. energy: 0.017 local terms energy: -666.673747 where: bonds (distance) C4'-P energy: -147.842 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -77.204 tors. eta vs tors. theta energy: -137.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1685.586579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.586579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.586579 (E_RNA) where: Base-Base interactions energy: -1102.893 where: short stacking energy: -508.611 Base-Backbone interact. energy: 1.836 local terms energy: -584.529219 where: bonds (distance) C4'-P energy: -121.735 bonds (distance) P-C4' energy: -119.325 flat angles C4'-P-C4' energy: -140.086 flat angles P-C4'-P energy: -88.627 tors. eta vs tors. theta energy: -114.756 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: 191 Temperature: 1.300000 Total energy: -1203.277357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.277357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.277357 (E_RNA) where: Base-Base interactions energy: -681.941 where: short stacking energy: -389.691 Base-Backbone interact. energy: 4.084 local terms energy: -525.419632 where: bonds (distance) C4'-P energy: -114.495 bonds (distance) P-C4' energy: -155.362 flat angles C4'-P-C4' energy: -125.490 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -54.493 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: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -992.062818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.062818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.062818 (E_RNA) where: Base-Base interactions energy: -523.643 where: short stacking energy: -270.094 Base-Backbone interact. energy: 3.153 local terms energy: -471.572538 where: bonds (distance) C4'-P energy: -137.945 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -120.080 flat angles P-C4'-P energy: -55.301 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3024.201990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.201990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.201990 (E_RNA) where: Base-Base interactions energy: -2095.363 where: short stacking energy: -911.248 Base-Backbone interact. energy: -2.414 local terms energy: -926.425013 where: bonds (distance) C4'-P energy: -147.798 bonds (distance) P-C4' energy: -181.459 flat angles C4'-P-C4' energy: -204.929 flat angles P-C4'-P energy: -134.466 tors. eta vs tors. theta energy: -257.774 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: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2768.651933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.651933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.651933 (E_RNA) where: Base-Base interactions energy: -1871.459 where: short stacking energy: -818.842 Base-Backbone interact. energy: -4.633 local terms energy: -892.560725 where: bonds (distance) C4'-P energy: -158.045 bonds (distance) P-C4' energy: -169.006 flat angles C4'-P-C4' energy: -201.090 flat angles P-C4'-P energy: -127.223 tors. eta vs tors. theta energy: -237.197 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: 7 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2585.523641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.523641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.523641 (E_RNA) where: Base-Base interactions energy: -1788.899 where: short stacking energy: -795.712 Base-Backbone interact. energy: 0.701 local terms energy: -797.325777 where: bonds (distance) C4'-P energy: -135.635 bonds (distance) P-C4' energy: -172.007 flat angles C4'-P-C4' energy: -173.918 flat angles P-C4'-P energy: -116.930 tors. eta vs tors. theta energy: -198.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2527.265689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.265689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.265689 (E_RNA) where: Base-Base interactions energy: -1773.863 where: short stacking energy: -716.062 Base-Backbone interact. energy: 4.321 local terms energy: -757.723479 where: bonds (distance) C4'-P energy: -130.151 bonds (distance) P-C4' energy: -164.910 flat angles C4'-P-C4' energy: -150.434 flat angles P-C4'-P energy: -116.450 tors. eta vs tors. theta energy: -195.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2447.810506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.810506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.810506 (E_RNA) where: Base-Base interactions energy: -1663.201 where: short stacking energy: -755.420 Base-Backbone interact. energy: -4.927 local terms energy: -779.682028 where: bonds (distance) C4'-P energy: -145.304 bonds (distance) P-C4' energy: -159.844 flat angles C4'-P-C4' energy: -154.907 flat angles P-C4'-P energy: -102.280 tors. eta vs tors. theta energy: -217.347 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: 10 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2326.704599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.704599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.704599 (E_RNA) where: Base-Base interactions energy: -1588.320 where: short stacking energy: -670.843 Base-Backbone interact. energy: -2.758 local terms energy: -735.626495 where: bonds (distance) C4'-P energy: -148.466 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -154.799 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -186.504 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: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1965.519299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.519299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.519299 (E_RNA) where: Base-Base interactions energy: -1300.541 where: short stacking energy: -606.249 Base-Backbone interact. energy: 4.388 local terms energy: -669.366228 where: bonds (distance) C4'-P energy: -142.892 bonds (distance) P-C4' energy: -128.411 flat angles C4'-P-C4' energy: -157.655 flat angles P-C4'-P energy: -93.949 tors. eta vs tors. theta energy: -146.459 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: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -1689.167515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.167515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.167515 (E_RNA) where: Base-Base interactions energy: -1086.235 where: short stacking energy: -500.648 Base-Backbone interact. energy: 0.402 local terms energy: -603.334846 where: bonds (distance) C4'-P energy: -113.736 bonds (distance) P-C4' energy: -138.604 flat angles C4'-P-C4' energy: -157.695 flat angles P-C4'-P energy: -89.702 tors. eta vs tors. theta energy: -103.598 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: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1142.562964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.562964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.562964 (E_RNA) where: Base-Base interactions energy: -640.862 where: short stacking energy: -341.036 Base-Backbone interact. energy: -2.673 local terms energy: -499.028638 where: bonds (distance) C4'-P energy: -135.322 bonds (distance) P-C4' energy: -141.758 flat angles C4'-P-C4' energy: -109.548 flat angles P-C4'-P energy: -68.374 tors. eta vs tors. theta energy: -44.028 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: 6 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -889.069302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.069302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.069302 (E_RNA) where: Base-Base interactions energy: -441.348 where: short stacking energy: -234.684 Base-Backbone interact. energy: 2.411 local terms energy: -450.132108 where: bonds (distance) C4'-P energy: -150.192 bonds (distance) P-C4' energy: -122.056 flat angles C4'-P-C4' energy: -122.633 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: 14.537 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: 193 Temperature: 0.900000 Total energy: -3028.120673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.120673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.120673 (E_RNA) where: Base-Base interactions energy: -2098.302 where: short stacking energy: -918.455 Base-Backbone interact. energy: -4.911 local terms energy: -924.907746 where: bonds (distance) C4'-P energy: -173.740 bonds (distance) P-C4' energy: -162.107 flat angles C4'-P-C4' energy: -200.679 flat angles P-C4'-P energy: -130.399 tors. eta vs tors. theta energy: -257.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -2765.841559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.841559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.841559 (E_RNA) where: Base-Base interactions energy: -1911.021 where: short stacking energy: -867.539 Base-Backbone interact. energy: -5.556 local terms energy: -849.265051 where: bonds (distance) C4'-P energy: -132.700 bonds (distance) P-C4' energy: -157.730 flat angles C4'-P-C4' energy: -196.408 flat angles P-C4'-P energy: -113.178 tors. eta vs tors. theta energy: -249.249 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -2586.019185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.019185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.019185 (E_RNA) where: Base-Base interactions energy: -1764.014 where: short stacking energy: -783.857 Base-Backbone interact. energy: -3.902 local terms energy: -818.103679 where: bonds (distance) C4'-P energy: -160.605 bonds (distance) P-C4' energy: -162.968 flat angles C4'-P-C4' energy: -180.386 flat angles P-C4'-P energy: -112.554 tors. eta vs tors. theta energy: -201.591 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: 193 Temperature: 1.050000 Total energy: -2515.954288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.954288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.954288 (E_RNA) where: Base-Base interactions energy: -1743.428 where: short stacking energy: -708.817 Base-Backbone interact. energy: 2.983 local terms energy: -775.509456 where: bonds (distance) C4'-P energy: -147.340 bonds (distance) P-C4' energy: -170.425 flat angles C4'-P-C4' energy: -160.208 flat angles P-C4'-P energy: -116.680 tors. eta vs tors. theta energy: -180.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2412.744219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.744219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.744219 (E_RNA) where: Base-Base interactions energy: -1614.527 where: short stacking energy: -746.905 Base-Backbone interact. energy: -0.815 local terms energy: -797.401905 where: bonds (distance) C4'-P energy: -145.820 bonds (distance) P-C4' energy: -165.714 flat angles C4'-P-C4' energy: -164.337 flat angles P-C4'-P energy: -102.238 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: 6, replica: 10 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2307.832035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.832035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.832035 (E_RNA) where: Base-Base interactions energy: -1586.528 where: short stacking energy: -681.782 Base-Backbone interact. energy: -3.897 local terms energy: -717.406750 where: bonds (distance) C4'-P energy: -134.261 bonds (distance) P-C4' energy: -139.613 flat angles C4'-P-C4' energy: -158.109 flat angles P-C4'-P energy: -100.386 tors. eta vs tors. theta energy: -185.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1904.097275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.097275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.097275 (E_RNA) where: Base-Base interactions energy: -1286.384 where: short stacking energy: -585.764 Base-Backbone interact. energy: -2.117 local terms energy: -615.596467 where: bonds (distance) C4'-P energy: -129.307 bonds (distance) P-C4' energy: -136.489 flat angles C4'-P-C4' energy: -139.388 flat angles P-C4'-P energy: -84.775 tors. eta vs tors. theta energy: -125.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -1774.616563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.616563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.616563 (E_RNA) where: Base-Base interactions energy: -1158.726 where: short stacking energy: -528.421 Base-Backbone interact. energy: -0.287 local terms energy: -615.603136 where: bonds (distance) C4'-P energy: -134.340 bonds (distance) P-C4' energy: -148.268 flat angles C4'-P-C4' energy: -154.039 flat angles P-C4'-P energy: -65.530 tors. eta vs tors. theta energy: -113.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1093.312479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.312479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.312479 (E_RNA) where: Base-Base interactions energy: -619.796 where: short stacking energy: -336.605 Base-Backbone interact. energy: 1.770 local terms energy: -475.285935 where: bonds (distance) C4'-P energy: -115.110 bonds (distance) P-C4' energy: -147.069 flat angles C4'-P-C4' energy: -118.637 flat angles P-C4'-P energy: -76.165 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -819.284279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.284279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.284279 (E_RNA) where: Base-Base interactions energy: -391.711 where: short stacking energy: -212.012 Base-Backbone interact. energy: 9.997 local terms energy: -437.569799 where: bonds (distance) C4'-P energy: -131.832 bonds (distance) P-C4' energy: -155.444 flat angles C4'-P-C4' energy: -130.855 flat angles P-C4'-P energy: -55.432 tors. eta vs tors. theta energy: 35.993 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: 1 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -2987.655766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.655766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.655766 (E_RNA) where: Base-Base interactions energy: -2079.697 where: short stacking energy: -908.455 Base-Backbone interact. energy: -3.537 local terms energy: -904.421050 where: bonds (distance) C4'-P energy: -163.765 bonds (distance) P-C4' energy: -155.583 flat angles C4'-P-C4' energy: -188.538 flat angles P-C4'-P energy: -130.272 tors. eta vs tors. theta energy: -266.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -2800.188383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.188383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.188383 (E_RNA) where: Base-Base interactions energy: -1914.870 where: short stacking energy: -880.796 Base-Backbone interact. energy: -2.956 local terms energy: -882.362405 where: bonds (distance) C4'-P energy: -159.319 bonds (distance) P-C4' energy: -160.889 flat angles C4'-P-C4' energy: -187.715 flat angles P-C4'-P energy: -129.191 tors. eta vs tors. theta energy: -245.248 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: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -2559.523070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.523070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.523070 (E_RNA) where: Base-Base interactions energy: -1767.271 where: short stacking energy: -776.158 Base-Backbone interact. energy: -2.541 local terms energy: -789.710850 where: bonds (distance) C4'-P energy: -150.891 bonds (distance) P-C4' energy: -157.538 flat angles C4'-P-C4' energy: -171.423 flat angles P-C4'-P energy: -118.578 tors. eta vs tors. theta energy: -191.280 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: 194 Temperature: 1.050000 Total energy: -2532.535031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.535031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.535031 (E_RNA) where: Base-Base interactions energy: -1801.484 where: short stacking energy: -710.693 Base-Backbone interact. energy: 5.970 local terms energy: -737.021485 where: bonds (distance) C4'-P energy: -142.009 bonds (distance) P-C4' energy: -158.300 flat angles C4'-P-C4' energy: -176.664 flat angles P-C4'-P energy: -103.337 tors. eta vs tors. theta energy: -156.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2416.526266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.526266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.526266 (E_RNA) where: Base-Base interactions energy: -1635.733 where: short stacking energy: -708.649 Base-Backbone interact. energy: 3.202 local terms energy: -783.995701 where: bonds (distance) C4'-P energy: -155.955 bonds (distance) P-C4' energy: -151.473 flat angles C4'-P-C4' energy: -170.650 flat angles P-C4'-P energy: -100.224 tors. eta vs tors. theta energy: -205.693 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: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2310.705294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.705294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.705294 (E_RNA) where: Base-Base interactions energy: -1558.927 where: short stacking energy: -674.162 Base-Backbone interact. energy: -2.741 local terms energy: -749.036848 where: bonds (distance) C4'-P energy: -148.494 bonds (distance) P-C4' energy: -134.151 flat angles C4'-P-C4' energy: -167.812 flat angles P-C4'-P energy: -108.202 tors. eta vs tors. theta energy: -190.377 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: 7, replica: 4 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1935.514373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.514373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.514373 (E_RNA) where: Base-Base interactions energy: -1294.408 where: short stacking energy: -570.046 Base-Backbone interact. energy: 0.796 local terms energy: -641.902324 where: bonds (distance) C4'-P energy: -129.112 bonds (distance) P-C4' energy: -146.648 flat angles C4'-P-C4' energy: -138.807 flat angles P-C4'-P energy: -87.182 tors. eta vs tors. theta energy: -140.153 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: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1660.123714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.123714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.123714 (E_RNA) where: Base-Base interactions energy: -1072.251 where: short stacking energy: -514.452 Base-Backbone interact. energy: 2.329 local terms energy: -590.202334 where: bonds (distance) C4'-P energy: -149.167 bonds (distance) P-C4' energy: -120.325 flat angles C4'-P-C4' energy: -136.177 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -91.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1182.124203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.124203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.124203 (E_RNA) where: Base-Base interactions energy: -666.218 where: short stacking energy: -320.288 Base-Backbone interact. energy: -1.035 local terms energy: -514.871669 where: bonds (distance) C4'-P energy: -150.234 bonds (distance) P-C4' energy: -132.633 flat angles C4'-P-C4' energy: -121.209 flat angles P-C4'-P energy: -87.406 tors. eta vs tors. theta energy: -23.389 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: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -770.335385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.335385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.335385 (E_RNA) where: Base-Base interactions energy: -320.883 where: short stacking energy: -217.745 Base-Backbone interact. energy: -0.966 local terms energy: -448.486454 where: bonds (distance) C4'-P energy: -125.067 bonds (distance) P-C4' energy: -135.029 flat angles C4'-P-C4' energy: -124.691 flat angles P-C4'-P energy: -73.479 tors. eta vs tors. theta energy: 9.779 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: 1 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3030.296323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.296323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.296323 (E_RNA) where: Base-Base interactions energy: -2113.690 where: short stacking energy: -922.888 Base-Backbone interact. energy: 4.203 local terms energy: -920.809916 where: bonds (distance) C4'-P energy: -174.317 bonds (distance) P-C4' energy: -159.207 flat angles C4'-P-C4' energy: -193.462 flat angles P-C4'-P energy: -131.893 tors. eta vs tors. theta energy: -261.931 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: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -2771.428890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.428890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.428890 (E_RNA) where: Base-Base interactions energy: -1856.809 where: short stacking energy: -829.174 Base-Backbone interact. energy: -1.027 local terms energy: -913.593041 where: bonds (distance) C4'-P energy: -177.562 bonds (distance) P-C4' energy: -172.202 flat angles C4'-P-C4' energy: -177.001 flat angles P-C4'-P energy: -130.506 tors. eta vs tors. theta energy: -256.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2582.880414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.880414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.880414 (E_RNA) where: Base-Base interactions energy: -1742.555 where: short stacking energy: -760.303 Base-Backbone interact. energy: -1.487 local terms energy: -838.838627 where: bonds (distance) C4'-P energy: -151.770 bonds (distance) P-C4' energy: -174.579 flat angles C4'-P-C4' energy: -173.565 flat angles P-C4'-P energy: -130.853 tors. eta vs tors. theta energy: -208.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2473.727958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.727958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.727958 (E_RNA) where: Base-Base interactions energy: -1762.323 where: short stacking energy: -698.165 Base-Backbone interact. energy: -0.314 local terms energy: -711.090810 where: bonds (distance) C4'-P energy: -132.333 bonds (distance) P-C4' energy: -161.567 flat angles C4'-P-C4' energy: -170.097 flat angles P-C4'-P energy: -91.255 tors. eta vs tors. theta energy: -155.839 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: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2401.397090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.397090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.397090 (E_RNA) where: Base-Base interactions energy: -1642.143 where: short stacking energy: -737.520 Base-Backbone interact. energy: -0.246 local terms energy: -759.008528 where: bonds (distance) C4'-P energy: -154.002 bonds (distance) P-C4' energy: -136.639 flat angles C4'-P-C4' energy: -159.784 flat angles P-C4'-P energy: -112.666 tors. eta vs tors. theta energy: -195.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2259.132019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.132019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.132019 (E_RNA) where: Base-Base interactions energy: -1528.648 where: short stacking energy: -640.895 Base-Backbone interact. energy: -1.302 local terms energy: -729.182115 where: bonds (distance) C4'-P energy: -149.789 bonds (distance) P-C4' energy: -138.173 flat angles C4'-P-C4' energy: -151.331 flat angles P-C4'-P energy: -115.832 tors. eta vs tors. theta energy: -174.057 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: 195 Temperature: 1.200000 Total energy: -1997.461612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.461612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.461612 (E_RNA) where: Base-Base interactions energy: -1326.409 where: short stacking energy: -605.253 Base-Backbone interact. energy: -3.137 local terms energy: -667.915825 where: bonds (distance) C4'-P energy: -135.049 bonds (distance) P-C4' energy: -158.388 flat angles C4'-P-C4' energy: -142.678 flat angles P-C4'-P energy: -90.926 tors. eta vs tors. theta energy: -140.874 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: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1751.774903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.774903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.774903 (E_RNA) where: Base-Base interactions energy: -1153.784 where: short stacking energy: -567.220 Base-Backbone interact. energy: -0.905 local terms energy: -597.085796 where: bonds (distance) C4'-P energy: -138.855 bonds (distance) P-C4' energy: -128.495 flat angles C4'-P-C4' energy: -133.475 flat angles P-C4'-P energy: -60.826 tors. eta vs tors. theta energy: -135.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1132.313906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.313906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.313906 (E_RNA) where: Base-Base interactions energy: -617.431 where: short stacking energy: -342.411 Base-Backbone interact. energy: 1.107 local terms energy: -515.989524 where: bonds (distance) C4'-P energy: -127.167 bonds (distance) P-C4' energy: -157.048 flat angles C4'-P-C4' energy: -117.160 flat angles P-C4'-P energy: -82.153 tors. eta vs tors. theta energy: -32.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -742.553046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.553046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.553046 (E_RNA) where: Base-Base interactions energy: -339.929 where: short stacking energy: -231.675 Base-Backbone interact. energy: 0.090 local terms energy: -402.713900 where: bonds (distance) C4'-P energy: -126.764 bonds (distance) P-C4' energy: -128.419 flat angles C4'-P-C4' energy: -102.932 flat angles P-C4'-P energy: -47.233 tors. eta vs tors. theta energy: 2.634 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: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3034.483894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.483894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.483894 (E_RNA) where: Base-Base interactions energy: -2104.243 where: short stacking energy: -910.169 Base-Backbone interact. energy: -2.567 local terms energy: -927.673307 where: bonds (distance) C4'-P energy: -168.337 bonds (distance) P-C4' energy: -165.056 flat angles C4'-P-C4' energy: -189.535 flat angles P-C4'-P energy: -135.852 tors. eta vs tors. theta energy: -268.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -2784.924197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.924197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.924197 (E_RNA) where: Base-Base interactions energy: -1927.475 where: short stacking energy: -860.634 Base-Backbone interact. energy: -4.147 local terms energy: -853.302723 where: bonds (distance) C4'-P energy: -153.823 bonds (distance) P-C4' energy: -166.209 flat angles C4'-P-C4' energy: -183.668 flat angles P-C4'-P energy: -112.242 tors. eta vs tors. theta energy: -237.361 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: 7 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2665.188613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.188613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.188613 (E_RNA) where: Base-Base interactions energy: -1847.443 where: short stacking energy: -815.105 Base-Backbone interact. energy: -3.356 local terms energy: -814.390023 where: bonds (distance) C4'-P energy: -147.147 bonds (distance) P-C4' energy: -145.732 flat angles C4'-P-C4' energy: -179.625 flat angles P-C4'-P energy: -133.097 tors. eta vs tors. theta energy: -208.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2485.309993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.309993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.309993 (E_RNA) where: Base-Base interactions energy: -1749.586 where: short stacking energy: -739.692 Base-Backbone interact. energy: -3.765 local terms energy: -731.959671 where: bonds (distance) C4'-P energy: -115.731 bonds (distance) P-C4' energy: -152.663 flat angles C4'-P-C4' energy: -160.052 flat angles P-C4'-P energy: -120.124 tors. eta vs tors. theta energy: -183.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2419.304757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.304757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.304757 (E_RNA) where: Base-Base interactions energy: -1673.133 where: short stacking energy: -732.408 Base-Backbone interact. energy: -0.537 local terms energy: -745.634706 where: bonds (distance) C4'-P energy: -127.657 bonds (distance) P-C4' energy: -148.585 flat angles C4'-P-C4' energy: -179.907 flat angles P-C4'-P energy: -101.107 tors. eta vs tors. theta energy: -188.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2392.242857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.242857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.242857 (E_RNA) where: Base-Base interactions energy: -1660.861 where: short stacking energy: -707.564 Base-Backbone interact. energy: 2.332 local terms energy: -733.714408 where: bonds (distance) C4'-P energy: -127.936 bonds (distance) P-C4' energy: -150.127 flat angles C4'-P-C4' energy: -168.276 flat angles P-C4'-P energy: -97.241 tors. eta vs tors. theta energy: -190.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2006.289020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.289020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.289020 (E_RNA) where: Base-Base interactions energy: -1360.619 where: short stacking energy: -588.077 Base-Backbone interact. energy: -4.536 local terms energy: -641.133424 where: bonds (distance) C4'-P energy: -134.855 bonds (distance) P-C4' energy: -137.134 flat angles C4'-P-C4' energy: -149.718 flat angles P-C4'-P energy: -94.091 tors. eta vs tors. theta energy: -125.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -1638.015908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.015908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.015908 (E_RNA) where: Base-Base interactions energy: -1014.021 where: short stacking energy: -489.586 Base-Backbone interact. energy: -0.909 local terms energy: -623.086110 where: bonds (distance) C4'-P energy: -134.228 bonds (distance) P-C4' energy: -145.435 flat angles C4'-P-C4' energy: -147.716 flat angles P-C4'-P energy: -91.633 tors. eta vs tors. theta energy: -104.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1131.882927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.882927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.882927 (E_RNA) where: Base-Base interactions energy: -625.439 where: short stacking energy: -322.345 Base-Backbone interact. energy: -1.545 local terms energy: -504.898386 where: bonds (distance) C4'-P energy: -142.655 bonds (distance) P-C4' energy: -145.599 flat angles C4'-P-C4' energy: -136.416 flat angles P-C4'-P energy: -57.449 tors. eta vs tors. theta energy: -22.781 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: 10, replica: 6 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -835.372665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.372665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.372665 (E_RNA) where: Base-Base interactions energy: -402.735 where: short stacking energy: -233.252 Base-Backbone interact. energy: 0.714 local terms energy: -433.351636 where: bonds (distance) C4'-P energy: -140.237 bonds (distance) P-C4' energy: -124.330 flat angles C4'-P-C4' energy: -105.838 flat angles P-C4'-P energy: -83.870 tors. eta vs tors. theta energy: 20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3029.275118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.275118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.275118 (E_RNA) where: Base-Base interactions energy: -2119.913 where: short stacking energy: -929.638 Base-Backbone interact. energy: 0.173 local terms energy: -909.535605 where: bonds (distance) C4'-P energy: -162.974 bonds (distance) P-C4' energy: -176.737 flat angles C4'-P-C4' energy: -185.223 flat angles P-C4'-P energy: -120.763 tors. eta vs tors. theta energy: -263.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -2790.988239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.988239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.988239 (E_RNA) where: Base-Base interactions energy: -1908.598 where: short stacking energy: -892.150 Base-Backbone interact. energy: -1.591 local terms energy: -880.798596 where: bonds (distance) C4'-P energy: -166.444 bonds (distance) P-C4' energy: -170.691 flat angles C4'-P-C4' energy: -184.300 flat angles P-C4'-P energy: -113.804 tors. eta vs tors. theta energy: -245.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2609.971608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.971608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.971608 (E_RNA) where: Base-Base interactions energy: -1779.442 where: short stacking energy: -769.127 Base-Backbone interact. energy: -1.264 local terms energy: -829.266017 where: bonds (distance) C4'-P energy: -158.693 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -167.877 flat angles P-C4'-P energy: -130.479 tors. eta vs tors. theta energy: -207.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2552.436935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.436935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.436935 (E_RNA) where: Base-Base interactions energy: -1742.708 where: short stacking energy: -780.379 Base-Backbone interact. energy: -1.996 local terms energy: -807.732934 where: bonds (distance) C4'-P energy: -145.645 bonds (distance) P-C4' energy: -158.718 flat angles C4'-P-C4' energy: -181.695 flat angles P-C4'-P energy: -113.155 tors. eta vs tors. theta energy: -208.521 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: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2328.378960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.378960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.378960 (E_RNA) where: Base-Base interactions energy: -1628.707 where: short stacking energy: -661.748 Base-Backbone interact. energy: -2.720 local terms energy: -696.951111 where: bonds (distance) C4'-P energy: -149.685 bonds (distance) P-C4' energy: -128.722 flat angles C4'-P-C4' energy: -147.668 flat angles P-C4'-P energy: -114.272 tors. eta vs tors. theta energy: -156.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2355.494001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.494001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.494001 (E_RNA) where: Base-Base interactions energy: -1645.288 where: short stacking energy: -675.626 Base-Backbone interact. energy: -0.774 local terms energy: -709.432707 where: bonds (distance) C4'-P energy: -137.431 bonds (distance) P-C4' energy: -146.632 flat angles C4'-P-C4' energy: -147.501 flat angles P-C4'-P energy: -96.950 tors. eta vs tors. theta energy: -180.919 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: 4 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1919.698963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.698963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.698963 (E_RNA) where: Base-Base interactions energy: -1282.241 where: short stacking energy: -574.937 Base-Backbone interact. energy: 0.327 local terms energy: -637.784939 where: bonds (distance) C4'-P energy: -137.510 bonds (distance) P-C4' energy: -141.569 flat angles C4'-P-C4' energy: -147.763 flat angles P-C4'-P energy: -91.384 tors. eta vs tors. theta energy: -119.560 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: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1605.943976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.943976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.943976 (E_RNA) where: Base-Base interactions energy: -968.032 where: short stacking energy: -455.427 Base-Backbone interact. energy: 1.136 local terms energy: -639.047240 where: bonds (distance) C4'-P energy: -147.066 bonds (distance) P-C4' energy: -128.807 flat angles C4'-P-C4' energy: -149.240 flat angles P-C4'-P energy: -112.944 tors. eta vs tors. theta energy: -100.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1123.518007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.518007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.518007 (E_RNA) where: Base-Base interactions energy: -606.467 where: short stacking energy: -342.273 Base-Backbone interact. energy: 6.044 local terms energy: -523.095095 where: bonds (distance) C4'-P energy: -135.701 bonds (distance) P-C4' energy: -142.611 flat angles C4'-P-C4' energy: -134.448 flat angles P-C4'-P energy: -81.014 tors. eta vs tors. theta energy: -29.321 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: 10, replica: 6 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1012.879694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.879694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.879694 (E_RNA) where: Base-Base interactions energy: -575.949 where: short stacking energy: -308.319 Base-Backbone interact. energy: -1.115 local terms energy: -435.815921 where: bonds (distance) C4'-P energy: -101.080 bonds (distance) P-C4' energy: -135.154 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -78.769 tors. eta vs tors. theta energy: -20.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -2999.416725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.416725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.416725 (E_RNA) where: Base-Base interactions energy: -2110.026 where: short stacking energy: -925.112 Base-Backbone interact. energy: -0.683 local terms energy: -888.707384 where: bonds (distance) C4'-P energy: -150.328 bonds (distance) P-C4' energy: -162.295 flat angles C4'-P-C4' energy: -190.866 flat angles P-C4'-P energy: -117.515 tors. eta vs tors. theta energy: -267.704 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: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -2757.162596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.162596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.162596 (E_RNA) where: Base-Base interactions energy: -1896.743 where: short stacking energy: -850.428 Base-Backbone interact. energy: -3.341 local terms energy: -857.078952 where: bonds (distance) C4'-P energy: -142.966 bonds (distance) P-C4' energy: -168.087 flat angles C4'-P-C4' energy: -184.441 flat angles P-C4'-P energy: -130.866 tors. eta vs tors. theta energy: -230.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2604.901301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.901301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.901301 (E_RNA) where: Base-Base interactions energy: -1804.462 where: short stacking energy: -784.663 Base-Backbone interact. energy: -4.275 local terms energy: -796.164459 where: bonds (distance) C4'-P energy: -143.584 bonds (distance) P-C4' energy: -154.994 flat angles C4'-P-C4' energy: -179.496 flat angles P-C4'-P energy: -110.634 tors. eta vs tors. theta energy: -207.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2546.283795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.283795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.283795 (E_RNA) where: Base-Base interactions energy: -1713.732 where: short stacking energy: -726.821 Base-Backbone interact. energy: -7.030 local terms energy: -825.521772 where: bonds (distance) C4'-P energy: -157.750 bonds (distance) P-C4' energy: -177.541 flat angles C4'-P-C4' energy: -175.963 flat angles P-C4'-P energy: -119.704 tors. eta vs tors. theta energy: -194.564 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2380.828329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.828329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.828329 (E_RNA) where: Base-Base interactions energy: -1632.867 where: short stacking energy: -661.329 Base-Backbone interact. energy: 4.402 local terms energy: -752.363981 where: bonds (distance) C4'-P energy: -156.639 bonds (distance) P-C4' energy: -160.813 flat angles C4'-P-C4' energy: -165.286 flat angles P-C4'-P energy: -104.442 tors. eta vs tors. theta energy: -165.185 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: 198 Temperature: 1.150000 Total energy: -2325.749728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.749728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.749728 (E_RNA) where: Base-Base interactions energy: -1645.162 where: short stacking energy: -678.823 Base-Backbone interact. energy: -1.427 local terms energy: -679.160364 where: bonds (distance) C4'-P energy: -124.800 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -162.210 flat angles P-C4'-P energy: -86.862 tors. eta vs tors. theta energy: -149.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1987.002899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.002899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.002899 (E_RNA) where: Base-Base interactions energy: -1313.396 where: short stacking energy: -597.073 Base-Backbone interact. energy: -2.258 local terms energy: -671.348915 where: bonds (distance) C4'-P energy: -128.242 bonds (distance) P-C4' energy: -167.396 flat angles C4'-P-C4' energy: -135.180 flat angles P-C4'-P energy: -90.850 tors. eta vs tors. theta energy: -149.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1560.413072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.413072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.413072 (E_RNA) where: Base-Base interactions energy: -1020.105 where: short stacking energy: -475.252 Base-Backbone interact. energy: -2.515 local terms energy: -537.793257 where: bonds (distance) C4'-P energy: -109.707 bonds (distance) P-C4' energy: -124.918 flat angles C4'-P-C4' energy: -135.505 flat angles P-C4'-P energy: -89.564 tors. eta vs tors. theta energy: -78.100 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: 8 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1096.473081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.473081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.473081 (E_RNA) where: Base-Base interactions energy: -621.415 where: short stacking energy: -306.318 Base-Backbone interact. energy: 0.336 local terms energy: -475.393776 where: bonds (distance) C4'-P energy: -126.293 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -132.308 flat angles P-C4'-P energy: -44.977 tors. eta vs tors. theta energy: -22.800 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: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -980.942571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.942571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.942571 (E_RNA) where: Base-Base interactions energy: -509.055 where: short stacking energy: -256.592 Base-Backbone interact. energy: -1.853 local terms energy: -470.034393 where: bonds (distance) C4'-P energy: -135.198 bonds (distance) P-C4' energy: -137.761 flat angles C4'-P-C4' energy: -118.169 flat angles P-C4'-P energy: -79.631 tors. eta vs tors. theta energy: 0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3008.417590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.417590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.417590 (E_RNA) where: Base-Base interactions energy: -2090.181 where: short stacking energy: -928.154 Base-Backbone interact. energy: -0.482 local terms energy: -917.754465 where: bonds (distance) C4'-P energy: -164.443 bonds (distance) P-C4' energy: -170.930 flat angles C4'-P-C4' energy: -192.713 flat angles P-C4'-P energy: -129.585 tors. eta vs tors. theta energy: -260.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -2766.605585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.605585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.605585 (E_RNA) where: Base-Base interactions energy: -1890.718 where: short stacking energy: -879.139 Base-Backbone interact. energy: -2.879 local terms energy: -873.008979 where: bonds (distance) C4'-P energy: -162.964 bonds (distance) P-C4' energy: -152.568 flat angles C4'-P-C4' energy: -193.280 flat angles P-C4'-P energy: -119.128 tors. eta vs tors. theta energy: -245.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2589.474280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.474280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.474280 (E_RNA) where: Base-Base interactions energy: -1786.581 where: short stacking energy: -775.241 Base-Backbone interact. energy: -2.389 local terms energy: -800.505129 where: bonds (distance) C4'-P energy: -149.771 bonds (distance) P-C4' energy: -155.452 flat angles C4'-P-C4' energy: -171.089 flat angles P-C4'-P energy: -117.376 tors. eta vs tors. theta energy: -206.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2555.870413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.870413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.870413 (E_RNA) where: Base-Base interactions energy: -1741.834 where: short stacking energy: -771.201 Base-Backbone interact. energy: -2.224 local terms energy: -811.812983 where: bonds (distance) C4'-P energy: -151.333 bonds (distance) P-C4' energy: -151.381 flat angles C4'-P-C4' energy: -184.479 flat angles P-C4'-P energy: -116.676 tors. eta vs tors. theta energy: -207.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2399.405219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.405219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.405219 (E_RNA) where: Base-Base interactions energy: -1684.770 where: short stacking energy: -700.700 Base-Backbone interact. energy: -3.129 local terms energy: -711.506877 where: bonds (distance) C4'-P energy: -130.820 bonds (distance) P-C4' energy: -129.742 flat angles C4'-P-C4' energy: -175.979 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -164.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2373.290945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.290945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.290945 (E_RNA) where: Base-Base interactions energy: -1642.689 where: short stacking energy: -664.356 Base-Backbone interact. energy: -2.281 local terms energy: -728.321037 where: bonds (distance) C4'-P energy: -135.459 bonds (distance) P-C4' energy: -135.185 flat angles C4'-P-C4' energy: -172.619 flat angles P-C4'-P energy: -114.275 tors. eta vs tors. theta energy: -170.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2005.789036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.789036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.789036 (E_RNA) where: Base-Base interactions energy: -1341.531 where: short stacking energy: -612.319 Base-Backbone interact. energy: -0.696 local terms energy: -663.562691 where: bonds (distance) C4'-P energy: -126.604 bonds (distance) P-C4' energy: -140.105 flat angles C4'-P-C4' energy: -149.566 flat angles P-C4'-P energy: -97.169 tors. eta vs tors. theta energy: -150.119 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: 2 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1673.990039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.990039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.990039 (E_RNA) where: Base-Base interactions energy: -1089.163 where: short stacking energy: -532.621 Base-Backbone interact. energy: -0.654 local terms energy: -584.173534 where: bonds (distance) C4'-P energy: -104.893 bonds (distance) P-C4' energy: -138.477 flat angles C4'-P-C4' energy: -147.243 flat angles P-C4'-P energy: -84.906 tors. eta vs tors. theta energy: -108.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1062.561756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.561756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.561756 (E_RNA) where: Base-Base interactions energy: -559.600 where: short stacking energy: -302.607 Base-Backbone interact. energy: -0.990 local terms energy: -501.972042 where: bonds (distance) C4'-P energy: -146.998 bonds (distance) P-C4' energy: -140.955 flat angles C4'-P-C4' energy: -130.291 flat angles P-C4'-P energy: -61.778 tors. eta vs tors. theta energy: -21.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1025.404857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.404857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.404857 (E_RNA) where: Base-Base interactions energy: -562.797 where: short stacking energy: -289.999 Base-Backbone interact. energy: -2.995 local terms energy: -459.613497 where: bonds (distance) C4'-P energy: -105.167 bonds (distance) P-C4' energy: -152.786 flat angles C4'-P-C4' energy: -123.554 flat angles P-C4'-P energy: -78.455 tors. eta vs tors. theta energy: 0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3007.833478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.833478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.833478 (E_RNA) where: Base-Base interactions energy: -2074.563 where: short stacking energy: -911.184 Base-Backbone interact. energy: -4.945 local terms energy: -928.325610 where: bonds (distance) C4'-P energy: -166.381 bonds (distance) P-C4' energy: -169.109 flat angles C4'-P-C4' energy: -195.741 flat angles P-C4'-P energy: -135.870 tors. eta vs tors. theta energy: -261.224 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: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -2775.934844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.934844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.934844 (E_RNA) where: Base-Base interactions energy: -1909.235 where: short stacking energy: -869.479 Base-Backbone interact. energy: -3.010 local terms energy: -863.689903 where: bonds (distance) C4'-P energy: -168.581 bonds (distance) P-C4' energy: -160.052 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -116.300 tors. eta vs tors. theta energy: -245.475 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: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2568.112064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.112064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.112064 (E_RNA) where: Base-Base interactions energy: -1765.161 where: short stacking energy: -824.826 Base-Backbone interact. energy: -4.928 local terms energy: -798.023169 where: bonds (distance) C4'-P energy: -140.694 bonds (distance) P-C4' energy: -160.457 flat angles C4'-P-C4' energy: -163.352 flat angles P-C4'-P energy: -127.083 tors. eta vs tors. theta energy: -206.438 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: 3 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2603.198759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.198759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.198759 (E_RNA) where: Base-Base interactions energy: -1807.701 where: short stacking energy: -802.831 Base-Backbone interact. energy: -3.758 local terms energy: -791.739452 where: bonds (distance) C4'-P energy: -145.186 bonds (distance) P-C4' energy: -161.479 flat angles C4'-P-C4' energy: -153.786 flat angles P-C4'-P energy: -105.716 tors. eta vs tors. theta energy: -225.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2429.569357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.569357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.569357 (E_RNA) where: Base-Base interactions energy: -1683.902 where: short stacking energy: -737.005 Base-Backbone interact. energy: -1.508 local terms energy: -744.159789 where: bonds (distance) C4'-P energy: -138.872 bonds (distance) P-C4' energy: -141.864 flat angles C4'-P-C4' energy: -182.085 flat angles P-C4'-P energy: -99.089 tors. eta vs tors. theta energy: -182.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2274.859268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.859268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.859268 (E_RNA) where: Base-Base interactions energy: -1604.146 where: short stacking energy: -656.928 Base-Backbone interact. energy: -2.233 local terms energy: -668.480607 where: bonds (distance) C4'-P energy: -137.045 bonds (distance) P-C4' energy: -131.853 flat angles C4'-P-C4' energy: -161.141 flat angles P-C4'-P energy: -92.755 tors. eta vs tors. theta energy: -145.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1962.755748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.755748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.755748 (E_RNA) where: Base-Base interactions energy: -1310.362 where: short stacking energy: -575.188 Base-Backbone interact. energy: -2.659 local terms energy: -649.734927 where: bonds (distance) C4'-P energy: -142.378 bonds (distance) P-C4' energy: -144.460 flat angles C4'-P-C4' energy: -148.628 flat angles P-C4'-P energy: -83.531 tors. eta vs tors. theta energy: -130.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1624.605186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.605186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.605186 (E_RNA) where: Base-Base interactions energy: -1050.330 where: short stacking energy: -484.154 Base-Backbone interact. energy: -2.338 local terms energy: -571.937237 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -143.615 flat angles C4'-P-C4' energy: -127.933 flat angles P-C4'-P energy: -78.754 tors. eta vs tors. theta energy: -84.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1081.786497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.786497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.786497 (E_RNA) where: Base-Base interactions energy: -588.243 where: short stacking energy: -338.720 Base-Backbone interact. energy: -2.288 local terms energy: -491.255367 where: bonds (distance) C4'-P energy: -149.156 bonds (distance) P-C4' energy: -134.445 flat angles C4'-P-C4' energy: -110.979 flat angles P-C4'-P energy: -51.012 tors. eta vs tors. theta energy: -45.663 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: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1013.430243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.430243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.430243 (E_RNA) where: Base-Base interactions energy: -518.559 where: short stacking energy: -286.791 Base-Backbone interact. energy: -1.059 local terms energy: -493.811525 where: bonds (distance) C4'-P energy: -127.472 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -133.098 flat angles P-C4'-P energy: -56.807 tors. eta vs tors. theta energy: -39.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3038.542945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.542945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.542945 (E_RNA) where: Base-Base interactions energy: -2104.226 where: short stacking energy: -919.701 Base-Backbone interact. energy: -3.305 local terms energy: -931.011322 where: bonds (distance) C4'-P energy: -172.853 bonds (distance) P-C4' energy: -179.095 flat angles C4'-P-C4' energy: -193.825 flat angles P-C4'-P energy: -124.433 tors. eta vs tors. theta energy: -260.805 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: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -2783.276025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.276025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.276025 (E_RNA) where: Base-Base interactions energy: -1938.080 where: short stacking energy: -851.351 Base-Backbone interact. energy: -3.057 local terms energy: -842.138111 where: bonds (distance) C4'-P energy: -151.867 bonds (distance) P-C4' energy: -155.587 flat angles C4'-P-C4' energy: -179.130 flat angles P-C4'-P energy: -110.760 tors. eta vs tors. theta energy: -244.795 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: 7 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2628.386909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.386909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.386909 (E_RNA) where: Base-Base interactions energy: -1844.524 where: short stacking energy: -802.465 Base-Backbone interact. energy: -4.314 local terms energy: -779.549253 where: bonds (distance) C4'-P energy: -135.163 bonds (distance) P-C4' energy: -153.302 flat angles C4'-P-C4' energy: -170.865 flat angles P-C4'-P energy: -110.048 tors. eta vs tors. theta energy: -210.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2507.335465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.335465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.335465 (E_RNA) where: Base-Base interactions energy: -1729.038 where: short stacking energy: -748.921 Base-Backbone interact. energy: -5.104 local terms energy: -773.193971 where: bonds (distance) C4'-P energy: -144.877 bonds (distance) P-C4' energy: -143.923 flat angles C4'-P-C4' energy: -175.828 flat angles P-C4'-P energy: -101.933 tors. eta vs tors. theta energy: -206.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2478.834595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.834595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.834595 (E_RNA) where: Base-Base interactions energy: -1736.452 where: short stacking energy: -773.165 Base-Backbone interact. energy: -0.833 local terms energy: -741.549941 where: bonds (distance) C4'-P energy: -144.830 bonds (distance) P-C4' energy: -108.267 flat angles C4'-P-C4' energy: -174.883 flat angles P-C4'-P energy: -113.425 tors. eta vs tors. theta energy: -200.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2226.287788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2226.287788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2226.287788 (E_RNA) where: Base-Base interactions energy: -1543.492 where: short stacking energy: -623.574 Base-Backbone interact. energy: 1.165 local terms energy: -683.961106 where: bonds (distance) C4'-P energy: -144.463 bonds (distance) P-C4' energy: -120.658 flat angles C4'-P-C4' energy: -150.683 flat angles P-C4'-P energy: -112.988 tors. eta vs tors. theta energy: -155.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1908.353560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.353560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.353560 (E_RNA) where: Base-Base interactions energy: -1253.502 where: short stacking energy: -566.756 Base-Backbone interact. energy: 1.442 local terms energy: -656.293803 where: bonds (distance) C4'-P energy: -138.307 bonds (distance) P-C4' energy: -138.941 flat angles C4'-P-C4' energy: -143.968 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -141.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1584.858102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.858102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.858102 (E_RNA) where: Base-Base interactions energy: -1000.717 where: short stacking energy: -498.420 Base-Backbone interact. energy: 5.663 local terms energy: -589.803931 where: bonds (distance) C4'-P energy: -130.509 bonds (distance) P-C4' energy: -131.475 flat angles C4'-P-C4' energy: -138.755 flat angles P-C4'-P energy: -99.554 tors. eta vs tors. theta energy: -89.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1071.309496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.309496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.309496 (E_RNA) where: Base-Base interactions energy: -609.699 where: short stacking energy: -342.666 Base-Backbone interact. energy: -1.005 local terms energy: -460.605290 where: bonds (distance) C4'-P energy: -136.871 bonds (distance) P-C4' energy: -126.089 flat angles C4'-P-C4' energy: -103.526 flat angles P-C4'-P energy: -60.532 tors. eta vs tors. theta energy: -33.587 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: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1058.473549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.473549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.473549 (E_RNA) where: Base-Base interactions energy: -584.163 where: short stacking energy: -304.398 Base-Backbone interact. energy: 2.268 local terms energy: -476.578986 where: bonds (distance) C4'-P energy: -120.579 bonds (distance) P-C4' energy: -134.292 flat angles C4'-P-C4' energy: -122.382 flat angles P-C4'-P energy: -69.965 tors. eta vs tors. theta energy: -29.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3018.325552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.325552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.325552 (E_RNA) where: Base-Base interactions energy: -2069.956 where: short stacking energy: -899.244 Base-Backbone interact. energy: -0.194 local terms energy: -948.175597 where: bonds (distance) C4'-P energy: -180.647 bonds (distance) P-C4' energy: -174.515 flat angles C4'-P-C4' energy: -196.024 flat angles P-C4'-P energy: -131.343 tors. eta vs tors. theta energy: -265.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -2770.929509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.929509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.929509 (E_RNA) where: Base-Base interactions energy: -1870.573 where: short stacking energy: -851.485 Base-Backbone interact. energy: -2.531 local terms energy: -897.826441 where: bonds (distance) C4'-P energy: -164.494 bonds (distance) P-C4' energy: -164.618 flat angles C4'-P-C4' energy: -189.506 flat angles P-C4'-P energy: -136.143 tors. eta vs tors. theta energy: -243.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2623.445164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.445164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.445164 (E_RNA) where: Base-Base interactions energy: -1789.293 where: short stacking energy: -798.033 Base-Backbone interact. energy: -1.177 local terms energy: -832.975552 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -152.403 flat angles C4'-P-C4' energy: -176.057 flat angles P-C4'-P energy: -124.173 tors. eta vs tors. theta energy: -217.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2591.056514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.056514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.056514 (E_RNA) where: Base-Base interactions energy: -1759.687 where: short stacking energy: -782.861 Base-Backbone interact. energy: -2.168 local terms energy: -829.201401 where: bonds (distance) C4'-P energy: -176.496 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -175.470 flat angles P-C4'-P energy: -105.974 tors. eta vs tors. theta energy: -213.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2510.108352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.108352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.108352 (E_RNA) where: Base-Base interactions energy: -1738.566 where: short stacking energy: -760.837 Base-Backbone interact. energy: -2.320 local terms energy: -769.223128 where: bonds (distance) C4'-P energy: -130.613 bonds (distance) P-C4' energy: -155.784 flat angles C4'-P-C4' energy: -170.174 flat angles P-C4'-P energy: -98.349 tors. eta vs tors. theta energy: -214.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2209.136602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.136602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.136602 (E_RNA) where: Base-Base interactions energy: -1510.425 where: short stacking energy: -598.767 Base-Backbone interact. energy: 2.926 local terms energy: -701.638032 where: bonds (distance) C4'-P energy: -136.032 bonds (distance) P-C4' energy: -162.061 flat angles C4'-P-C4' energy: -165.525 flat angles P-C4'-P energy: -90.730 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: 7, replica: 4 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1942.744328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.744328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.744328 (E_RNA) where: Base-Base interactions energy: -1320.642 where: short stacking energy: -578.336 Base-Backbone interact. energy: -1.854 local terms energy: -620.248087 where: bonds (distance) C4'-P energy: -96.365 bonds (distance) P-C4' energy: -139.154 flat angles C4'-P-C4' energy: -156.896 flat angles P-C4'-P energy: -99.512 tors. eta vs tors. theta energy: -128.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1642.358060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.358060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.358060 (E_RNA) where: Base-Base interactions energy: -1061.295 where: short stacking energy: -485.655 Base-Backbone interact. energy: -2.358 local terms energy: -578.705424 where: bonds (distance) C4'-P energy: -131.449 bonds (distance) P-C4' energy: -126.969 flat angles C4'-P-C4' energy: -160.833 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -94.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1085.051806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.051806 (E_RNA) where: Base-Base interactions energy: -638.839 where: short stacking energy: -331.478 Base-Backbone interact. energy: 10.754 local terms energy: -456.967162 where: bonds (distance) C4'-P energy: -113.122 bonds (distance) P-C4' energy: -132.627 flat angles C4'-P-C4' energy: -104.805 flat angles P-C4'-P energy: -80.678 tors. eta vs tors. theta energy: -25.736 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: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1086.142441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.142441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.142441 (E_RNA) where: Base-Base interactions energy: -621.841 where: short stacking energy: -311.586 Base-Backbone interact. energy: 0.801 local terms energy: -465.101971 where: bonds (distance) C4'-P energy: -135.029 bonds (distance) P-C4' energy: -116.901 flat angles C4'-P-C4' energy: -129.116 flat angles P-C4'-P energy: -74.579 tors. eta vs tors. theta energy: -9.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -2999.974599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.974599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.974599 (E_RNA) where: Base-Base interactions energy: -2077.404 where: short stacking energy: -934.841 Base-Backbone interact. energy: -1.982 local terms energy: -920.588529 where: bonds (distance) C4'-P energy: -166.594 bonds (distance) P-C4' energy: -162.166 flat angles C4'-P-C4' energy: -198.739 flat angles P-C4'-P energy: -123.273 tors. eta vs tors. theta energy: -269.816 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: 2, replica: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -2781.866714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.866714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.866714 (E_RNA) where: Base-Base interactions energy: -1893.422 where: short stacking energy: -887.249 Base-Backbone interact. energy: -3.418 local terms energy: -885.027119 where: bonds (distance) C4'-P energy: -141.621 bonds (distance) P-C4' energy: -154.168 flat angles C4'-P-C4' energy: -197.040 flat angles P-C4'-P energy: -138.663 tors. eta vs tors. theta energy: -253.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2627.996787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.996787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.996787 (E_RNA) where: Base-Base interactions energy: -1797.370 where: short stacking energy: -804.057 Base-Backbone interact. energy: -2.651 local terms energy: -827.975984 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -160.323 flat angles C4'-P-C4' energy: -185.286 flat angles P-C4'-P energy: -128.171 tors. eta vs tors. theta energy: -211.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2596.978541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.978541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.978541 (E_RNA) where: Base-Base interactions energy: -1802.168 where: short stacking energy: -755.063 Base-Backbone interact. energy: -3.672 local terms energy: -791.138286 where: bonds (distance) C4'-P energy: -144.190 bonds (distance) P-C4' energy: -157.311 flat angles C4'-P-C4' energy: -174.620 flat angles P-C4'-P energy: -106.291 tors. eta vs tors. theta energy: -208.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2511.188673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.188673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.188673 (E_RNA) where: Base-Base interactions energy: -1734.362 where: short stacking energy: -753.335 Base-Backbone interact. energy: 2.212 local terms energy: -779.038835 where: bonds (distance) C4'-P energy: -142.734 bonds (distance) P-C4' energy: -138.686 flat angles C4'-P-C4' energy: -163.746 flat angles P-C4'-P energy: -111.738 tors. eta vs tors. theta energy: -222.135 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: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2309.544422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.544422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.544422 (E_RNA) where: Base-Base interactions energy: -1597.204 where: short stacking energy: -674.770 Base-Backbone interact. energy: 0.237 local terms energy: -712.577283 where: bonds (distance) C4'-P energy: -152.411 bonds (distance) P-C4' energy: -137.884 flat angles C4'-P-C4' energy: -153.329 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -168.106 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: 7, replica: 4 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1939.445399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.445399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.445399 (E_RNA) where: Base-Base interactions energy: -1313.594 where: short stacking energy: -556.861 Base-Backbone interact. energy: -0.847 local terms energy: -625.005154 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -148.286 flat angles C4'-P-C4' energy: -137.331 flat angles P-C4'-P energy: -89.047 tors. eta vs tors. theta energy: -109.798 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: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1596.327495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.327495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.327495 (E_RNA) where: Base-Base interactions energy: -994.095 where: short stacking energy: -464.572 Base-Backbone interact. energy: 2.444 local terms energy: -604.676422 where: bonds (distance) C4'-P energy: -116.702 bonds (distance) P-C4' energy: -146.030 flat angles C4'-P-C4' energy: -159.140 flat angles P-C4'-P energy: -86.512 tors. eta vs tors. theta energy: -96.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1133.148606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.148606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.148606 (E_RNA) where: Base-Base interactions energy: -627.295 where: short stacking energy: -337.909 Base-Backbone interact. energy: -4.347 local terms energy: -501.506247 where: bonds (distance) C4'-P energy: -149.363 bonds (distance) P-C4' energy: -124.820 flat angles C4'-P-C4' energy: -132.321 flat angles P-C4'-P energy: -81.271 tors. eta vs tors. theta energy: -13.731 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: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1009.980813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.980813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.980813 (E_RNA) where: Base-Base interactions energy: -569.728 where: short stacking energy: -313.065 Base-Backbone interact. energy: -1.096 local terms energy: -439.156205 where: bonds (distance) C4'-P energy: -135.657 bonds (distance) P-C4' energy: -136.691 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -24.976 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: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3007.793794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.793794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.793794 (E_RNA) where: Base-Base interactions energy: -2064.508 where: short stacking energy: -903.173 Base-Backbone interact. energy: -3.655 local terms energy: -939.630146 where: bonds (distance) C4'-P energy: -176.429 bonds (distance) P-C4' energy: -166.156 flat angles C4'-P-C4' energy: -199.341 flat angles P-C4'-P energy: -136.047 tors. eta vs tors. theta energy: -261.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -2752.165918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.165918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.165918 (E_RNA) where: Base-Base interactions energy: -1862.124 where: short stacking energy: -864.324 Base-Backbone interact. energy: -2.721 local terms energy: -887.321405 where: bonds (distance) C4'-P energy: -165.240 bonds (distance) P-C4' energy: -169.135 flat angles C4'-P-C4' energy: -187.396 flat angles P-C4'-P energy: -127.300 tors. eta vs tors. theta energy: -238.250 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2596.621398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.621398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.621398 (E_RNA) where: Base-Base interactions energy: -1793.119 where: short stacking energy: -766.887 Base-Backbone interact. energy: -4.567 local terms energy: -798.935228 where: bonds (distance) C4'-P energy: -140.007 bonds (distance) P-C4' energy: -155.550 flat angles C4'-P-C4' energy: -177.993 flat angles P-C4'-P energy: -115.867 tors. eta vs tors. theta energy: -209.518 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: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2570.898113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.898113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.898113 (E_RNA) where: Base-Base interactions energy: -1769.434 where: short stacking energy: -741.818 Base-Backbone interact. energy: -0.756 local terms energy: -800.707991 where: bonds (distance) C4'-P energy: -133.932 bonds (distance) P-C4' energy: -160.027 flat angles C4'-P-C4' energy: -199.432 flat angles P-C4'-P energy: -114.840 tors. eta vs tors. theta energy: -192.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2493.353058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.353058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.353058 (E_RNA) where: Base-Base interactions energy: -1693.899 where: short stacking energy: -750.660 Base-Backbone interact. energy: 2.437 local terms energy: -801.890829 where: bonds (distance) C4'-P energy: -147.309 bonds (distance) P-C4' energy: -149.022 flat angles C4'-P-C4' energy: -181.492 flat angles P-C4'-P energy: -111.527 tors. eta vs tors. theta energy: -212.540 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: 204 Temperature: 1.150000 Total energy: -2194.025199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.025199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.025199 (E_RNA) where: Base-Base interactions energy: -1534.811 where: short stacking energy: -649.843 Base-Backbone interact. energy: 13.196 local terms energy: -672.410174 where: bonds (distance) C4'-P energy: -123.717 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -160.314 flat angles P-C4'-P energy: -106.405 tors. eta vs tors. theta energy: -138.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1988.026622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.026622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.026622 (E_RNA) where: Base-Base interactions energy: -1333.962 where: short stacking energy: -590.705 Base-Backbone interact. energy: -3.291 local terms energy: -650.773448 where: bonds (distance) C4'-P energy: -136.979 bonds (distance) P-C4' energy: -135.762 flat angles C4'-P-C4' energy: -148.882 flat angles P-C4'-P energy: -86.116 tors. eta vs tors. theta energy: -143.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1589.158556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.158556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.158556 (E_RNA) where: Base-Base interactions energy: -994.781 where: short stacking energy: -464.731 Base-Backbone interact. energy: -2.150 local terms energy: -592.226987 where: bonds (distance) C4'-P energy: -150.781 bonds (distance) P-C4' energy: -138.148 flat angles C4'-P-C4' energy: -140.330 flat angles P-C4'-P energy: -79.367 tors. eta vs tors. theta energy: -83.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1116.390307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.390307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.390307 (E_RNA) where: Base-Base interactions energy: -616.191 where: short stacking energy: -333.616 Base-Backbone interact. energy: 2.032 local terms energy: -502.231432 where: bonds (distance) C4'-P energy: -134.363 bonds (distance) P-C4' energy: -136.163 flat angles C4'-P-C4' energy: -118.965 flat angles P-C4'-P energy: -79.766 tors. eta vs tors. theta energy: -32.974 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: 8 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -997.185539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.185539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.185539 (E_RNA) where: Base-Base interactions energy: -513.650 where: short stacking energy: -292.481 Base-Backbone interact. energy: -2.051 local terms energy: -481.483921 where: bonds (distance) C4'-P energy: -135.543 bonds (distance) P-C4' energy: -151.116 flat angles C4'-P-C4' energy: -111.095 flat angles P-C4'-P energy: -66.059 tors. eta vs tors. theta energy: -17.670 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: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3010.951273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.951273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.951273 (E_RNA) where: Base-Base interactions energy: -2091.252 where: short stacking energy: -918.408 Base-Backbone interact. energy: -2.279 local terms energy: -917.420537 where: bonds (distance) C4'-P energy: -158.505 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -207.338 flat angles P-C4'-P energy: -124.777 tors. eta vs tors. theta energy: -270.800 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: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -2803.603183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.603183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.603183 (E_RNA) where: Base-Base interactions energy: -1920.760 where: short stacking energy: -867.583 Base-Backbone interact. energy: -2.726 local terms energy: -880.116792 where: bonds (distance) C4'-P energy: -152.165 bonds (distance) P-C4' energy: -167.538 flat angles C4'-P-C4' energy: -183.294 flat angles P-C4'-P energy: -122.552 tors. eta vs tors. theta energy: -254.569 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: 7 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2637.451303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.451303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.451303 (E_RNA) where: Base-Base interactions energy: -1791.051 where: short stacking energy: -790.612 Base-Backbone interact. energy: -1.070 local terms energy: -845.330561 where: bonds (distance) C4'-P energy: -162.983 bonds (distance) P-C4' energy: -150.825 flat angles C4'-P-C4' energy: -186.804 flat angles P-C4'-P energy: -123.681 tors. eta vs tors. theta energy: -221.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2544.796118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.796118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.796118 (E_RNA) where: Base-Base interactions energy: -1786.670 where: short stacking energy: -750.087 Base-Backbone interact. energy: -2.555 local terms energy: -755.571053 where: bonds (distance) C4'-P energy: -127.020 bonds (distance) P-C4' energy: -160.344 flat angles C4'-P-C4' energy: -159.444 flat angles P-C4'-P energy: -115.816 tors. eta vs tors. theta energy: -192.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2501.162228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.162228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.162228 (E_RNA) where: Base-Base interactions energy: -1731.450 where: short stacking energy: -740.359 Base-Backbone interact. energy: 0.622 local terms energy: -770.334568 where: bonds (distance) C4'-P energy: -127.660 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -169.524 flat angles P-C4'-P energy: -112.739 tors. eta vs tors. theta energy: -219.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2138.454046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.454046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.454046 (E_RNA) where: Base-Base interactions energy: -1471.797 where: short stacking energy: -579.478 Base-Backbone interact. energy: -2.303 local terms energy: -664.353928 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -164.126 flat angles C4'-P-C4' energy: -154.658 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -117.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1806.541367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.541367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.541367 (E_RNA) where: Base-Base interactions energy: -1195.579 where: short stacking energy: -547.600 Base-Backbone interact. energy: 5.157 local terms energy: -616.119099 where: bonds (distance) C4'-P energy: -138.369 bonds (distance) P-C4' energy: -125.650 flat angles C4'-P-C4' energy: -144.087 flat angles P-C4'-P energy: -96.809 tors. eta vs tors. theta energy: -111.204 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: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1575.229372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.229372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.229372 (E_RNA) where: Base-Base interactions energy: -983.272 where: short stacking energy: -463.594 Base-Backbone interact. energy: -0.417 local terms energy: -591.541096 where: bonds (distance) C4'-P energy: -121.636 bonds (distance) P-C4' energy: -147.103 flat angles C4'-P-C4' energy: -154.111 flat angles P-C4'-P energy: -88.626 tors. eta vs tors. theta energy: -80.066 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: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1129.051471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.051471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.051471 (E_RNA) where: Base-Base interactions energy: -643.231 where: short stacking energy: -358.237 Base-Backbone interact. energy: 0.910 local terms energy: -486.730439 where: bonds (distance) C4'-P energy: -120.693 bonds (distance) P-C4' energy: -147.005 flat angles C4'-P-C4' energy: -127.828 flat angles P-C4'-P energy: -65.593 tors. eta vs tors. theta energy: -25.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1092.278072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.278072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.278072 (E_RNA) where: Base-Base interactions energy: -613.235 where: short stacking energy: -311.613 Base-Backbone interact. energy: 0.539 local terms energy: -479.581979 where: bonds (distance) C4'-P energy: -144.273 bonds (distance) P-C4' energy: -135.144 flat angles C4'-P-C4' energy: -114.058 flat angles P-C4'-P energy: -69.700 tors. eta vs tors. theta energy: -16.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3002.962124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.962124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.962124 (E_RNA) where: Base-Base interactions energy: -2102.868 where: short stacking energy: -925.219 Base-Backbone interact. energy: -0.827 local terms energy: -899.266994 where: bonds (distance) C4'-P energy: -158.607 bonds (distance) P-C4' energy: -179.292 flat angles C4'-P-C4' energy: -179.936 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -269.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -2765.565035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.565035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.565035 (E_RNA) where: Base-Base interactions energy: -1898.081 where: short stacking energy: -864.756 Base-Backbone interact. energy: -4.482 local terms energy: -863.001355 where: bonds (distance) C4'-P energy: -173.020 bonds (distance) P-C4' energy: -164.961 flat angles C4'-P-C4' energy: -176.688 flat angles P-C4'-P energy: -106.971 tors. eta vs tors. theta energy: -241.361 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: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2647.319272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.319272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.319272 (E_RNA) where: Base-Base interactions energy: -1841.443 where: short stacking energy: -775.969 Base-Backbone interact. energy: 0.715 local terms energy: -806.591841 where: bonds (distance) C4'-P energy: -150.277 bonds (distance) P-C4' energy: -146.108 flat angles C4'-P-C4' energy: -176.370 flat angles P-C4'-P energy: -126.988 tors. eta vs tors. theta energy: -206.849 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: 7 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2540.482979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.482979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.482979 (E_RNA) where: Base-Base interactions energy: -1767.795 where: short stacking energy: -775.758 Base-Backbone interact. energy: -3.583 local terms energy: -769.104827 where: bonds (distance) C4'-P energy: -146.844 bonds (distance) P-C4' energy: -135.390 flat angles C4'-P-C4' energy: -167.841 flat angles P-C4'-P energy: -118.922 tors. eta vs tors. theta energy: -200.108 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: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2477.678975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.678975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.678975 (E_RNA) where: Base-Base interactions energy: -1687.800 where: short stacking energy: -737.189 Base-Backbone interact. energy: -2.392 local terms energy: -787.486748 where: bonds (distance) C4'-P energy: -134.764 bonds (distance) P-C4' energy: -154.791 flat angles C4'-P-C4' energy: -173.848 flat angles P-C4'-P energy: -105.804 tors. eta vs tors. theta energy: -218.279 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: 9 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2162.227250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.227250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.227250 (E_RNA) where: Base-Base interactions energy: -1528.215 where: short stacking energy: -631.383 Base-Backbone interact. energy: 6.514 local terms energy: -640.526583 where: bonds (distance) C4'-P energy: -128.292 bonds (distance) P-C4' energy: -133.475 flat angles C4'-P-C4' energy: -162.756 flat angles P-C4'-P energy: -93.073 tors. eta vs tors. theta energy: -122.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1823.340524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.340524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.340524 (E_RNA) where: Base-Base interactions energy: -1228.632 where: short stacking energy: -584.066 Base-Backbone interact. energy: 0.357 local terms energy: -595.065360 where: bonds (distance) C4'-P energy: -125.152 bonds (distance) P-C4' energy: -145.368 flat angles C4'-P-C4' energy: -132.827 flat angles P-C4'-P energy: -72.644 tors. eta vs tors. theta energy: -119.075 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: 2 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1588.836752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.836752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.836752 (E_RNA) where: Base-Base interactions energy: -1013.624 where: short stacking energy: -462.542 Base-Backbone interact. energy: 1.127 local terms energy: -576.340223 where: bonds (distance) C4'-P energy: -117.570 bonds (distance) P-C4' energy: -146.025 flat angles C4'-P-C4' energy: -136.461 flat angles P-C4'-P energy: -80.489 tors. eta vs tors. theta energy: -95.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1131.496551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.496551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.496551 (E_RNA) where: Base-Base interactions energy: -627.092 where: short stacking energy: -343.469 Base-Backbone interact. energy: -1.828 local terms energy: -502.576812 where: bonds (distance) C4'-P energy: -125.565 bonds (distance) P-C4' energy: -136.329 flat angles C4'-P-C4' energy: -120.042 flat angles P-C4'-P energy: -65.182 tors. eta vs tors. theta energy: -55.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1052.090488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.090488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.090488 (E_RNA) where: Base-Base interactions energy: -580.855 where: short stacking energy: -334.208 Base-Backbone interact. energy: 0.864 local terms energy: -472.098862 where: bonds (distance) C4'-P energy: -133.421 bonds (distance) P-C4' energy: -140.704 flat angles C4'-P-C4' energy: -107.573 flat angles P-C4'-P energy: -67.728 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: 1, replica: 1 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3010.407119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.407119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.407119 (E_RNA) where: Base-Base interactions energy: -2093.295 where: short stacking energy: -923.105 Base-Backbone interact. energy: -3.242 local terms energy: -913.870765 where: bonds (distance) C4'-P energy: -158.832 bonds (distance) P-C4' energy: -169.619 flat angles C4'-P-C4' energy: -191.437 flat angles P-C4'-P energy: -127.615 tors. eta vs tors. theta energy: -266.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -2786.875845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.875845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.875845 (E_RNA) where: Base-Base interactions energy: -1912.510 where: short stacking energy: -876.697 Base-Backbone interact. energy: -2.607 local terms energy: -871.758200 where: bonds (distance) C4'-P energy: -168.477 bonds (distance) P-C4' energy: -161.505 flat angles C4'-P-C4' energy: -181.988 flat angles P-C4'-P energy: -121.804 tors. eta vs tors. theta energy: -237.984 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: 10 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2628.110094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.110094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.110094 (E_RNA) where: Base-Base interactions energy: -1863.718 where: short stacking energy: -756.611 Base-Backbone interact. energy: -3.644 local terms energy: -760.747349 where: bonds (distance) C4'-P energy: -163.387 bonds (distance) P-C4' energy: -149.994 flat angles C4'-P-C4' energy: -157.166 flat angles P-C4'-P energy: -94.710 tors. eta vs tors. theta energy: -195.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2564.575617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.575617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.575617 (E_RNA) where: Base-Base interactions energy: -1774.094 where: short stacking energy: -755.032 Base-Backbone interact. energy: -3.315 local terms energy: -787.167257 where: bonds (distance) C4'-P energy: -151.826 bonds (distance) P-C4' energy: -145.293 flat angles C4'-P-C4' energy: -161.343 flat angles P-C4'-P energy: -127.803 tors. eta vs tors. theta energy: -200.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2548.225937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.225937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.225937 (E_RNA) where: Base-Base interactions energy: -1742.796 where: short stacking energy: -782.607 Base-Backbone interact. energy: 0.892 local terms energy: -806.321915 where: bonds (distance) C4'-P energy: -154.495 bonds (distance) P-C4' energy: -163.318 flat angles C4'-P-C4' energy: -158.451 flat angles P-C4'-P energy: -105.777 tors. eta vs tors. theta energy: -224.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2175.517406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.517406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.517406 (E_RNA) where: Base-Base interactions energy: -1480.426 where: short stacking energy: -626.018 Base-Backbone interact. energy: -1.445 local terms energy: -693.646147 where: bonds (distance) C4'-P energy: -137.301 bonds (distance) P-C4' energy: -173.478 flat angles C4'-P-C4' energy: -162.780 flat angles P-C4'-P energy: -73.566 tors. eta vs tors. theta energy: -146.520 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: 207 Temperature: 1.200000 Total energy: -1862.029713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.029713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.029713 (E_RNA) where: Base-Base interactions energy: -1219.448 where: short stacking energy: -576.345 Base-Backbone interact. energy: 1.693 local terms energy: -644.274533 where: bonds (distance) C4'-P energy: -139.771 bonds (distance) P-C4' energy: -135.583 flat angles C4'-P-C4' energy: -139.516 flat angles P-C4'-P energy: -112.323 tors. eta vs tors. theta energy: -117.081 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: 2 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1735.660248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.660248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.660248 (E_RNA) where: Base-Base interactions energy: -1102.965 where: short stacking energy: -528.203 Base-Backbone interact. energy: -3.320 local terms energy: -629.375778 where: bonds (distance) C4'-P energy: -134.317 bonds (distance) P-C4' energy: -123.818 flat angles C4'-P-C4' energy: -151.856 flat angles P-C4'-P energy: -94.055 tors. eta vs tors. theta energy: -125.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1077.668526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.668526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.668526 (E_RNA) where: Base-Base interactions energy: -595.685 where: short stacking energy: -303.124 Base-Backbone interact. energy: 6.330 local terms energy: -488.313172 where: bonds (distance) C4'-P energy: -137.224 bonds (distance) P-C4' energy: -129.907 flat angles C4'-P-C4' energy: -116.263 flat angles P-C4'-P energy: -85.528 tors. eta vs tors. theta energy: -19.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1121.053159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.053159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.053159 (E_RNA) where: Base-Base interactions energy: -621.889 where: short stacking energy: -286.215 Base-Backbone interact. energy: 3.950 local terms energy: -503.114163 where: bonds (distance) C4'-P energy: -136.504 bonds (distance) P-C4' energy: -137.733 flat angles C4'-P-C4' energy: -111.329 flat angles P-C4'-P energy: -86.821 tors. eta vs tors. theta energy: -30.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3008.199102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.199102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.199102 (E_RNA) where: Base-Base interactions energy: -2085.347 where: short stacking energy: -920.910 Base-Backbone interact. energy: -1.995 local terms energy: -920.857078 where: bonds (distance) C4'-P energy: -167.849 bonds (distance) P-C4' energy: -156.747 flat angles C4'-P-C4' energy: -200.348 flat angles P-C4'-P energy: -126.938 tors. eta vs tors. theta energy: -268.976 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: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -2778.655312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.655312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.655312 (E_RNA) where: Base-Base interactions energy: -1904.870 where: short stacking energy: -864.817 Base-Backbone interact. energy: -1.646 local terms energy: -872.139444 where: bonds (distance) C4'-P energy: -158.861 bonds (distance) P-C4' energy: -166.147 flat angles C4'-P-C4' energy: -192.812 flat angles P-C4'-P energy: -114.634 tors. eta vs tors. theta energy: -239.686 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: 10 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2700.762093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.762093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.762093 (E_RNA) where: Base-Base interactions energy: -1859.488 where: short stacking energy: -809.617 Base-Backbone interact. energy: -2.663 local terms energy: -838.611221 where: bonds (distance) C4'-P energy: -173.791 bonds (distance) P-C4' energy: -171.131 flat angles C4'-P-C4' energy: -167.989 flat angles P-C4'-P energy: -98.830 tors. eta vs tors. theta energy: -226.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2615.380580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.380580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.380580 (E_RNA) where: Base-Base interactions energy: -1821.732 where: short stacking energy: -786.163 Base-Backbone interact. energy: -1.655 local terms energy: -791.993689 where: bonds (distance) C4'-P energy: -141.062 bonds (distance) P-C4' energy: -151.567 flat angles C4'-P-C4' energy: -166.259 flat angles P-C4'-P energy: -122.935 tors. eta vs tors. theta energy: -210.171 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: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2572.613854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.613854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.613854 (E_RNA) where: Base-Base interactions energy: -1782.261 where: short stacking energy: -784.368 Base-Backbone interact. energy: -2.874 local terms energy: -787.478912 where: bonds (distance) C4'-P energy: -140.914 bonds (distance) P-C4' energy: -140.578 flat angles C4'-P-C4' energy: -165.293 flat angles P-C4'-P energy: -113.427 tors. eta vs tors. theta energy: -227.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2225.859667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.859667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.859667 (E_RNA) where: Base-Base interactions energy: -1540.673 where: short stacking energy: -633.000 Base-Backbone interact. energy: 0.127 local terms energy: -685.314353 where: bonds (distance) C4'-P energy: -137.879 bonds (distance) P-C4' energy: -135.156 flat angles C4'-P-C4' energy: -164.396 flat angles P-C4'-P energy: -89.355 tors. eta vs tors. theta energy: -158.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1799.896949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.896949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.896949 (E_RNA) where: Base-Base interactions energy: -1167.381 where: short stacking energy: -516.712 Base-Backbone interact. energy: -2.045 local terms energy: -630.470619 where: bonds (distance) C4'-P energy: -125.328 bonds (distance) P-C4' energy: -146.208 flat angles C4'-P-C4' energy: -153.258 flat angles P-C4'-P energy: -89.025 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1775.251627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.251627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.251627 (E_RNA) where: Base-Base interactions energy: -1179.642 where: short stacking energy: -518.103 Base-Backbone interact. energy: -0.566 local terms energy: -595.044531 where: bonds (distance) C4'-P energy: -125.173 bonds (distance) P-C4' energy: -162.814 flat angles C4'-P-C4' energy: -138.674 flat angles P-C4'-P energy: -67.938 tors. eta vs tors. theta energy: -100.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1126.815684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.815684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.815684 (E_RNA) where: Base-Base interactions energy: -648.741 where: short stacking energy: -317.282 Base-Backbone interact. energy: 0.126 local terms energy: -478.200891 where: bonds (distance) C4'-P energy: -135.113 bonds (distance) P-C4' energy: -142.059 flat angles C4'-P-C4' energy: -114.733 flat angles P-C4'-P energy: -69.037 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: 6 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1041.114170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.114170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.114170 (E_RNA) where: Base-Base interactions energy: -602.975 where: short stacking energy: -299.544 Base-Backbone interact. energy: -0.669 local terms energy: -437.469272 where: bonds (distance) C4'-P energy: -117.019 bonds (distance) P-C4' energy: -132.330 flat angles C4'-P-C4' energy: -101.393 flat angles P-C4'-P energy: -67.119 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -2977.214663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.214663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.214663 (E_RNA) where: Base-Base interactions energy: -2064.598 where: short stacking energy: -917.857 Base-Backbone interact. energy: 0.766 local terms energy: -913.383142 where: bonds (distance) C4'-P energy: -165.845 bonds (distance) P-C4' energy: -166.469 flat angles C4'-P-C4' energy: -187.552 flat angles P-C4'-P energy: -120.372 tors. eta vs tors. theta energy: -273.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -2779.256186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.256186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.256186 (E_RNA) where: Base-Base interactions energy: -1913.799 where: short stacking energy: -878.965 Base-Backbone interact. energy: -1.695 local terms energy: -863.762604 where: bonds (distance) C4'-P energy: -163.550 bonds (distance) P-C4' energy: -163.476 flat angles C4'-P-C4' energy: -196.613 flat angles P-C4'-P energy: -108.693 tors. eta vs tors. theta energy: -231.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2758.339231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.339231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.339231 (E_RNA) where: Base-Base interactions energy: -1910.707 where: short stacking energy: -808.138 Base-Backbone interact. energy: 1.647 local terms energy: -849.279443 where: bonds (distance) C4'-P energy: -157.766 bonds (distance) P-C4' energy: -155.098 flat angles C4'-P-C4' energy: -183.633 flat angles P-C4'-P energy: -124.593 tors. eta vs tors. theta energy: -228.190 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2602.608940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.608940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.608940 (E_RNA) where: Base-Base interactions energy: -1795.382 where: short stacking energy: -796.548 Base-Backbone interact. energy: 1.751 local terms energy: -808.978210 where: bonds (distance) C4'-P energy: -138.974 bonds (distance) P-C4' energy: -157.622 flat angles C4'-P-C4' energy: -173.535 flat angles P-C4'-P energy: -112.057 tors. eta vs tors. theta energy: -226.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2566.860404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.860404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.860404 (E_RNA) where: Base-Base interactions energy: -1763.028 where: short stacking energy: -760.546 Base-Backbone interact. energy: -2.907 local terms energy: -800.926151 where: bonds (distance) C4'-P energy: -142.205 bonds (distance) P-C4' energy: -157.718 flat angles C4'-P-C4' energy: -177.116 flat angles P-C4'-P energy: -106.661 tors. eta vs tors. theta energy: -217.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2174.711565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.711565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.711565 (E_RNA) where: Base-Base interactions energy: -1500.174 where: short stacking energy: -619.869 Base-Backbone interact. energy: 1.299 local terms energy: -675.836196 where: bonds (distance) C4'-P energy: -146.584 bonds (distance) P-C4' energy: -134.424 flat angles C4'-P-C4' energy: -152.186 flat angles P-C4'-P energy: -100.944 tors. eta vs tors. theta energy: -141.698 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: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1913.732577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.732577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.732577 (E_RNA) where: Base-Base interactions energy: -1269.824 where: short stacking energy: -563.670 Base-Backbone interact. energy: -0.214 local terms energy: -643.694412 where: bonds (distance) C4'-P energy: -143.007 bonds (distance) P-C4' energy: -128.148 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -101.672 tors. eta vs tors. theta energy: -127.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1790.858111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.858111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.858111 (E_RNA) where: Base-Base interactions energy: -1185.445 where: short stacking energy: -541.351 Base-Backbone interact. energy: 3.729 local terms energy: -609.142737 where: bonds (distance) C4'-P energy: -144.954 bonds (distance) P-C4' energy: -123.979 flat angles C4'-P-C4' energy: -127.354 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -105.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1181.137673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.137673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.137673 (E_RNA) where: Base-Base interactions energy: -702.864 where: short stacking energy: -356.790 Base-Backbone interact. energy: 4.014 local terms energy: -482.287082 where: bonds (distance) C4'-P energy: -134.574 bonds (distance) P-C4' energy: -108.500 flat angles C4'-P-C4' energy: -119.947 flat angles P-C4'-P energy: -78.785 tors. eta vs tors. theta energy: -40.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1048.084774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.084774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.084774 (E_RNA) where: Base-Base interactions energy: -605.922 where: short stacking energy: -294.875 Base-Backbone interact. energy: 2.070 local terms energy: -444.232993 where: bonds (distance) C4'-P energy: -119.210 bonds (distance) P-C4' energy: -122.941 flat angles C4'-P-C4' energy: -112.464 flat angles P-C4'-P energy: -85.283 tors. eta vs tors. theta energy: -4.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3017.007522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.007522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.007522 (E_RNA) where: Base-Base interactions energy: -2071.118 where: short stacking energy: -922.731 Base-Backbone interact. energy: -1.574 local terms energy: -944.315260 where: bonds (distance) C4'-P energy: -167.134 bonds (distance) P-C4' energy: -163.843 flat angles C4'-P-C4' energy: -195.051 flat angles P-C4'-P energy: -147.392 tors. eta vs tors. theta energy: -270.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -2809.112882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.112882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.112882 (E_RNA) where: Base-Base interactions energy: -1942.851 where: short stacking energy: -885.192 Base-Backbone interact. energy: -7.402 local terms energy: -858.859756 where: bonds (distance) C4'-P energy: -140.296 bonds (distance) P-C4' energy: -157.243 flat angles C4'-P-C4' energy: -189.608 flat angles P-C4'-P energy: -122.287 tors. eta vs tors. theta energy: -249.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2782.826242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.826242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.826242 (E_RNA) where: Base-Base interactions energy: -1958.141 where: short stacking energy: -798.511 Base-Backbone interact. energy: -1.520 local terms energy: -823.166000 where: bonds (distance) C4'-P energy: -136.706 bonds (distance) P-C4' energy: -169.551 flat angles C4'-P-C4' energy: -173.446 flat angles P-C4'-P energy: -126.344 tors. eta vs tors. theta energy: -217.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2534.194527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.194527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.194527 (E_RNA) where: Base-Base interactions energy: -1743.380 where: short stacking energy: -736.543 Base-Backbone interact. energy: 0.781 local terms energy: -791.596244 where: bonds (distance) C4'-P energy: -144.971 bonds (distance) P-C4' energy: -145.714 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -123.746 tors. eta vs tors. theta energy: -207.453 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: 3 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2550.861771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.861771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.861771 (E_RNA) where: Base-Base interactions energy: -1745.806 where: short stacking energy: -751.754 Base-Backbone interact. energy: 0.864 local terms energy: -805.920643 where: bonds (distance) C4'-P energy: -145.098 bonds (distance) P-C4' energy: -151.832 flat angles C4'-P-C4' energy: -174.378 flat angles P-C4'-P energy: -108.672 tors. eta vs tors. theta energy: -225.941 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: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2145.429750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.429750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.429750 (E_RNA) where: Base-Base interactions energy: -1486.062 where: short stacking energy: -603.351 Base-Backbone interact. energy: -2.995 local terms energy: -656.372655 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -157.299 flat angles C4'-P-C4' energy: -143.699 flat angles P-C4'-P energy: -97.156 tors. eta vs tors. theta energy: -124.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1938.230069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.230069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.230069 (E_RNA) where: Base-Base interactions energy: -1301.215 where: short stacking energy: -572.261 Base-Backbone interact. energy: -2.639 local terms energy: -634.376319 where: bonds (distance) C4'-P energy: -117.356 bonds (distance) P-C4' energy: -154.697 flat angles C4'-P-C4' energy: -160.717 flat angles P-C4'-P energy: -82.498 tors. eta vs tors. theta energy: -119.107 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: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1802.543263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.543263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.543263 (E_RNA) where: Base-Base interactions energy: -1201.749 where: short stacking energy: -542.656 Base-Backbone interact. energy: -3.989 local terms energy: -596.805106 where: bonds (distance) C4'-P energy: -137.638 bonds (distance) P-C4' energy: -143.094 flat angles C4'-P-C4' energy: -127.052 flat angles P-C4'-P energy: -74.459 tors. eta vs tors. theta energy: -114.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1181.957690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.957690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.957690 (E_RNA) where: Base-Base interactions energy: -670.235 where: short stacking energy: -335.985 Base-Backbone interact. energy: 2.723 local terms energy: -514.445642 where: bonds (distance) C4'-P energy: -124.506 bonds (distance) P-C4' energy: -142.578 flat angles C4'-P-C4' energy: -135.831 flat angles P-C4'-P energy: -91.035 tors. eta vs tors. theta energy: -20.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1022.732719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.732719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.732719 (E_RNA) where: Base-Base interactions energy: -537.288 where: short stacking energy: -282.817 Base-Backbone interact. energy: 0.059 local terms energy: -485.503959 where: bonds (distance) C4'-P energy: -144.168 bonds (distance) P-C4' energy: -158.777 flat angles C4'-P-C4' energy: -114.074 flat angles P-C4'-P energy: -47.231 tors. eta vs tors. theta energy: -21.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3017.174944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.174944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.174944 (E_RNA) where: Base-Base interactions energy: -2113.055 where: short stacking energy: -914.098 Base-Backbone interact. energy: -3.007 local terms energy: -901.112777 where: bonds (distance) C4'-P energy: -176.315 bonds (distance) P-C4' energy: -167.188 flat angles C4'-P-C4' energy: -182.473 flat angles P-C4'-P energy: -125.056 tors. eta vs tors. theta energy: -250.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -2874.852328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.852328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.852328 (E_RNA) where: Base-Base interactions energy: -2031.126 where: short stacking energy: -859.831 Base-Backbone interact. energy: -2.963 local terms energy: -840.763650 where: bonds (distance) C4'-P energy: -150.599 bonds (distance) P-C4' energy: -135.679 flat angles C4'-P-C4' energy: -194.900 flat angles P-C4'-P energy: -122.730 tors. eta vs tors. theta energy: -236.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2730.699399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.699399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.699399 (E_RNA) where: Base-Base interactions energy: -1882.120 where: short stacking energy: -841.801 Base-Backbone interact. energy: 1.090 local terms energy: -849.669374 where: bonds (distance) C4'-P energy: -158.426 bonds (distance) P-C4' energy: -163.029 flat angles C4'-P-C4' energy: -184.857 flat angles P-C4'-P energy: -115.386 tors. eta vs tors. theta energy: -227.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2584.965467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.965467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.965467 (E_RNA) where: Base-Base interactions energy: -1768.256 where: short stacking energy: -761.715 Base-Backbone interact. energy: 0.399 local terms energy: -817.108856 where: bonds (distance) C4'-P energy: -145.633 bonds (distance) P-C4' energy: -154.407 flat angles C4'-P-C4' energy: -171.111 flat angles P-C4'-P energy: -129.342 tors. eta vs tors. theta energy: -216.616 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: 7 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2474.408224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.408224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.408224 (E_RNA) where: Base-Base interactions energy: -1705.976 where: short stacking energy: -742.505 Base-Backbone interact. energy: -2.721 local terms energy: -765.711659 where: bonds (distance) C4'-P energy: -146.194 bonds (distance) P-C4' energy: -148.713 flat angles C4'-P-C4' energy: -162.609 flat angles P-C4'-P energy: -114.168 tors. eta vs tors. theta energy: -194.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2151.786812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.786812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.786812 (E_RNA) where: Base-Base interactions energy: -1467.243 where: short stacking energy: -607.280 Base-Backbone interact. energy: -2.410 local terms energy: -682.133766 where: bonds (distance) C4'-P energy: -135.397 bonds (distance) P-C4' energy: -135.511 flat angles C4'-P-C4' energy: -155.003 flat angles P-C4'-P energy: -115.807 tors. eta vs tors. theta energy: -140.416 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: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1900.339095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.339095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.339095 (E_RNA) where: Base-Base interactions energy: -1260.851 where: short stacking energy: -535.056 Base-Backbone interact. energy: 2.103 local terms energy: -641.591530 where: bonds (distance) C4'-P energy: -154.151 bonds (distance) P-C4' energy: -124.195 flat angles C4'-P-C4' energy: -145.512 flat angles P-C4'-P energy: -94.986 tors. eta vs tors. theta energy: -122.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1807.532577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.532577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.532577 (E_RNA) where: Base-Base interactions energy: -1164.308 where: short stacking energy: -532.400 Base-Backbone interact. energy: -3.079 local terms energy: -640.145973 where: bonds (distance) C4'-P energy: -122.666 bonds (distance) P-C4' energy: -145.548 flat angles C4'-P-C4' energy: -144.513 flat angles P-C4'-P energy: -101.982 tors. eta vs tors. theta energy: -125.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1191.608734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.608734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.608734 (E_RNA) where: Base-Base interactions energy: -669.943 where: short stacking energy: -336.975 Base-Backbone interact. energy: 2.549 local terms energy: -524.214785 where: bonds (distance) C4'-P energy: -116.879 bonds (distance) P-C4' energy: -157.351 flat angles C4'-P-C4' energy: -137.993 flat angles P-C4'-P energy: -93.381 tors. eta vs tors. theta energy: -18.610 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: 10, replica: 6 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -996.552601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.552601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.552601 (E_RNA) where: Base-Base interactions energy: -524.177 where: short stacking energy: -294.109 Base-Backbone interact. energy: 0.414 local terms energy: -472.789254 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -127.144 flat angles C4'-P-C4' energy: -125.452 flat angles P-C4'-P energy: -82.547 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3019.344769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.344769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.344769 (E_RNA) where: Base-Base interactions energy: -2097.430 where: short stacking energy: -922.241 Base-Backbone interact. energy: -0.345 local terms energy: -921.569655 where: bonds (distance) C4'-P energy: -168.217 bonds (distance) P-C4' energy: -173.994 flat angles C4'-P-C4' energy: -181.897 flat angles P-C4'-P energy: -125.733 tors. eta vs tors. theta energy: -271.729 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: 10 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -2867.463971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.463971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.463971 (E_RNA) where: Base-Base interactions energy: -2017.952 where: short stacking energy: -842.307 Base-Backbone interact. energy: -0.629 local terms energy: -848.883417 where: bonds (distance) C4'-P energy: -155.970 bonds (distance) P-C4' energy: -159.775 flat angles C4'-P-C4' energy: -179.721 flat angles P-C4'-P energy: -119.977 tors. eta vs tors. theta energy: -233.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2692.729562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.729562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.729562 (E_RNA) where: Base-Base interactions energy: -1846.520 where: short stacking energy: -842.184 Base-Backbone interact. energy: 5.221 local terms energy: -851.430646 where: bonds (distance) C4'-P energy: -158.786 bonds (distance) P-C4' energy: -172.020 flat angles C4'-P-C4' energy: -174.404 flat angles P-C4'-P energy: -107.054 tors. eta vs tors. theta energy: -239.167 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: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2636.839321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.839321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.839321 (E_RNA) where: Base-Base interactions energy: -1833.907 where: short stacking energy: -825.211 Base-Backbone interact. energy: -5.393 local terms energy: -797.539629 where: bonds (distance) C4'-P energy: -133.841 bonds (distance) P-C4' energy: -148.399 flat angles C4'-P-C4' energy: -173.376 flat angles P-C4'-P energy: -103.086 tors. eta vs tors. theta energy: -238.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2478.241586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.241586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.241586 (E_RNA) where: Base-Base interactions energy: -1701.913 where: short stacking energy: -757.565 Base-Backbone interact. energy: -2.352 local terms energy: -773.976430 where: bonds (distance) C4'-P energy: -144.416 bonds (distance) P-C4' energy: -145.890 flat angles C4'-P-C4' energy: -188.942 flat angles P-C4'-P energy: -85.482 tors. eta vs tors. theta energy: -209.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2065.831099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.831099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.831099 (E_RNA) where: Base-Base interactions energy: -1386.419 where: short stacking energy: -616.846 Base-Backbone interact. energy: -4.385 local terms energy: -675.026399 where: bonds (distance) C4'-P energy: -139.332 bonds (distance) P-C4' energy: -152.191 flat angles C4'-P-C4' energy: -145.813 flat angles P-C4'-P energy: -105.339 tors. eta vs tors. theta energy: -132.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1872.459722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.459722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.459722 (E_RNA) where: Base-Base interactions energy: -1284.491 where: short stacking energy: -581.579 Base-Backbone interact. energy: 2.299 local terms energy: -590.267863 where: bonds (distance) C4'-P energy: -108.900 bonds (distance) P-C4' energy: -120.542 flat angles C4'-P-C4' energy: -158.239 flat angles P-C4'-P energy: -81.728 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: 8, replica: 2 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1832.291782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.291782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.291782 (E_RNA) where: Base-Base interactions energy: -1200.181 where: short stacking energy: -531.335 Base-Backbone interact. energy: 1.529 local terms energy: -633.639192 where: bonds (distance) C4'-P energy: -124.185 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -165.788 flat angles P-C4'-P energy: -82.647 tors. eta vs tors. theta energy: -117.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1213.794433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.794433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.794433 (E_RNA) where: Base-Base interactions energy: -695.272 where: short stacking energy: -340.472 Base-Backbone interact. energy: 0.341 local terms energy: -518.863118 where: bonds (distance) C4'-P energy: -120.303 bonds (distance) P-C4' energy: -137.596 flat angles C4'-P-C4' energy: -141.557 flat angles P-C4'-P energy: -89.524 tors. eta vs tors. theta energy: -29.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1054.686746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.686746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.686746 (E_RNA) where: Base-Base interactions energy: -567.721 where: short stacking energy: -325.875 Base-Backbone interact. energy: 7.118 local terms energy: -494.083506 where: bonds (distance) C4'-P energy: -130.399 bonds (distance) P-C4' energy: -135.389 flat angles C4'-P-C4' energy: -125.596 flat angles P-C4'-P energy: -75.134 tors. eta vs tors. theta energy: -27.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3014.018743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.018743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.018743 (E_RNA) where: Base-Base interactions energy: -2094.347 where: short stacking energy: -918.903 Base-Backbone interact. energy: -0.752 local terms energy: -918.918935 where: bonds (distance) C4'-P energy: -166.604 bonds (distance) P-C4' energy: -164.496 flat angles C4'-P-C4' energy: -189.988 flat angles P-C4'-P energy: -130.022 tors. eta vs tors. theta energy: -267.808 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: 2, replica: 10 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -2886.865837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.865837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.865837 (E_RNA) where: Base-Base interactions energy: -1995.656 where: short stacking energy: -865.153 Base-Backbone interact. energy: -1.733 local terms energy: -889.476650 where: bonds (distance) C4'-P energy: -171.158 bonds (distance) P-C4' energy: -158.307 flat angles C4'-P-C4' energy: -194.613 flat angles P-C4'-P energy: -121.442 tors. eta vs tors. theta energy: -243.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2661.161416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.161416 (E_RNA) where: Base-Base interactions energy: -1824.245 where: short stacking energy: -834.740 Base-Backbone interact. energy: -3.565 local terms energy: -833.351252 where: bonds (distance) C4'-P energy: -152.417 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -172.797 flat angles P-C4'-P energy: -104.197 tors. eta vs tors. theta energy: -244.779 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: 3 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2626.480931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.480931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.480931 (E_RNA) where: Base-Base interactions energy: -1810.657 where: short stacking energy: -809.078 Base-Backbone interact. energy: 0.291 local terms energy: -816.114948 where: bonds (distance) C4'-P energy: -144.497 bonds (distance) P-C4' energy: -159.851 flat angles C4'-P-C4' energy: -167.997 flat angles P-C4'-P energy: -109.949 tors. eta vs tors. theta energy: -233.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2486.842957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.842957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.842957 (E_RNA) where: Base-Base interactions energy: -1717.761 where: short stacking energy: -724.097 Base-Backbone interact. energy: -4.412 local terms energy: -764.670068 where: bonds (distance) C4'-P energy: -138.818 bonds (distance) P-C4' energy: -158.008 flat angles C4'-P-C4' energy: -167.638 flat angles P-C4'-P energy: -120.063 tors. eta vs tors. theta energy: -180.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2107.562585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.562585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.562585 (E_RNA) where: Base-Base interactions energy: -1429.957 where: short stacking energy: -611.382 Base-Backbone interact. energy: 5.907 local terms energy: -683.512175 where: bonds (distance) C4'-P energy: -138.902 bonds (distance) P-C4' energy: -133.515 flat angles C4'-P-C4' energy: -156.100 flat angles P-C4'-P energy: -103.024 tors. eta vs tors. theta energy: -151.972 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: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1997.177834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.177834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.177834 (E_RNA) where: Base-Base interactions energy: -1333.824 where: short stacking energy: -589.452 Base-Backbone interact. energy: -2.727 local terms energy: -660.626487 where: bonds (distance) C4'-P energy: -132.348 bonds (distance) P-C4' energy: -136.989 flat angles C4'-P-C4' energy: -159.070 flat angles P-C4'-P energy: -95.954 tors. eta vs tors. theta energy: -136.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1790.363957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.363957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.363957 (E_RNA) where: Base-Base interactions energy: -1182.416 where: short stacking energy: -538.330 Base-Backbone interact. energy: 4.067 local terms energy: -612.015017 where: bonds (distance) C4'-P energy: -127.390 bonds (distance) P-C4' energy: -158.385 flat angles C4'-P-C4' energy: -134.430 flat angles P-C4'-P energy: -68.154 tors. eta vs tors. theta energy: -123.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1119.230754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.230754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.230754 (E_RNA) where: Base-Base interactions energy: -653.234 where: short stacking energy: -344.556 Base-Backbone interact. energy: -0.321 local terms energy: -465.675593 where: bonds (distance) C4'-P energy: -131.379 bonds (distance) P-C4' energy: -117.394 flat angles C4'-P-C4' energy: -127.867 flat angles P-C4'-P energy: -63.640 tors. eta vs tors. theta energy: -25.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -972.999744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.999744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.999744 (E_RNA) where: Base-Base interactions energy: -530.566 where: short stacking energy: -321.338 Base-Backbone interact. energy: 0.360 local terms energy: -442.793398 where: bonds (distance) C4'-P energy: -114.779 bonds (distance) P-C4' energy: -129.104 flat angles C4'-P-C4' energy: -117.331 flat angles P-C4'-P energy: -60.872 tors. eta vs tors. theta energy: -20.707 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: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3049.664810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.664810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.664810 (E_RNA) where: Base-Base interactions energy: -2129.436 where: short stacking energy: -934.614 Base-Backbone interact. energy: -3.016 local terms energy: -917.213350 where: bonds (distance) C4'-P energy: -173.528 bonds (distance) P-C4' energy: -147.487 flat angles C4'-P-C4' energy: -187.536 flat angles P-C4'-P energy: -140.327 tors. eta vs tors. theta energy: -268.335 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: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -2826.654314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.654314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.654314 (E_RNA) where: Base-Base interactions energy: -1976.336 where: short stacking energy: -816.194 Base-Backbone interact. energy: -5.252 local terms energy: -845.065857 where: bonds (distance) C4'-P energy: -156.848 bonds (distance) P-C4' energy: -160.656 flat angles C4'-P-C4' energy: -192.545 flat angles P-C4'-P energy: -107.718 tors. eta vs tors. theta energy: -227.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2688.877193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.877193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.877193 (E_RNA) where: Base-Base interactions energy: -1836.752 where: short stacking energy: -870.124 Base-Backbone interact. energy: -0.749 local terms energy: -851.375561 where: bonds (distance) C4'-P energy: -151.033 bonds (distance) P-C4' energy: -148.957 flat angles C4'-P-C4' energy: -195.225 flat angles P-C4'-P energy: -114.467 tors. eta vs tors. theta energy: -241.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2589.589732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.589732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.589732 (E_RNA) where: Base-Base interactions energy: -1761.739 where: short stacking energy: -773.660 Base-Backbone interact. energy: -3.886 local terms energy: -823.964497 where: bonds (distance) C4'-P energy: -140.898 bonds (distance) P-C4' energy: -164.784 flat angles C4'-P-C4' energy: -193.848 flat angles P-C4'-P energy: -97.904 tors. eta vs tors. theta energy: -226.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2525.544247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.544247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.544247 (E_RNA) where: Base-Base interactions energy: -1733.438 where: short stacking energy: -708.041 Base-Backbone interact. energy: -4.624 local terms energy: -787.482656 where: bonds (distance) C4'-P energy: -164.678 bonds (distance) P-C4' energy: -164.479 flat angles C4'-P-C4' energy: -163.163 flat angles P-C4'-P energy: -101.973 tors. eta vs tors. theta energy: -193.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2159.429084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.429084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.429084 (E_RNA) where: Base-Base interactions energy: -1478.471 where: short stacking energy: -634.617 Base-Backbone interact. energy: -0.227 local terms energy: -680.731648 where: bonds (distance) C4'-P energy: -129.268 bonds (distance) P-C4' energy: -130.927 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -99.605 tors. eta vs tors. theta energy: -149.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1915.863373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.863373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.863373 (E_RNA) where: Base-Base interactions energy: -1249.914 where: short stacking energy: -553.222 Base-Backbone interact. energy: -1.300 local terms energy: -664.649842 where: bonds (distance) C4'-P energy: -121.669 bonds (distance) P-C4' energy: -153.726 flat angles C4'-P-C4' energy: -167.468 flat angles P-C4'-P energy: -96.448 tors. eta vs tors. theta energy: -125.339 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: 2 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1780.073657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.073657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.073657 (E_RNA) where: Base-Base interactions energy: -1183.127 where: short stacking energy: -517.769 Base-Backbone interact. energy: 0.544 local terms energy: -597.490635 where: bonds (distance) C4'-P energy: -140.932 bonds (distance) P-C4' energy: -118.588 flat angles C4'-P-C4' energy: -154.076 flat angles P-C4'-P energy: -81.189 tors. eta vs tors. theta energy: -102.706 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: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1222.527226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.527226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.527226 (E_RNA) where: Base-Base interactions energy: -713.780 where: short stacking energy: -362.795 Base-Backbone interact. energy: -0.164 local terms energy: -508.583743 where: bonds (distance) C4'-P energy: -124.281 bonds (distance) P-C4' energy: -148.138 flat angles C4'-P-C4' energy: -121.711 flat angles P-C4'-P energy: -84.456 tors. eta vs tors. theta energy: -29.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -892.079745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.079745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.079745 (E_RNA) where: Base-Base interactions energy: -432.581 where: short stacking energy: -244.612 Base-Backbone interact. energy: -3.552 local terms energy: -455.946420 where: bonds (distance) C4'-P energy: -146.936 bonds (distance) P-C4' energy: -144.661 flat angles C4'-P-C4' energy: -119.843 flat angles P-C4'-P energy: -71.159 tors. eta vs tors. theta energy: 26.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3014.625604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.625604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.625604 (E_RNA) where: Base-Base interactions energy: -2082.748 where: short stacking energy: -926.358 Base-Backbone interact. energy: -0.270 local terms energy: -931.607088 where: bonds (distance) C4'-P energy: -166.128 bonds (distance) P-C4' energy: -170.076 flat angles C4'-P-C4' energy: -202.623 flat angles P-C4'-P energy: -132.016 tors. eta vs tors. theta energy: -260.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -2834.289333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.289333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.289333 (E_RNA) where: Base-Base interactions energy: -1970.236 where: short stacking energy: -847.204 Base-Backbone interact. energy: -1.940 local terms energy: -862.113386 where: bonds (distance) C4'-P energy: -161.855 bonds (distance) P-C4' energy: -160.397 flat angles C4'-P-C4' energy: -184.842 flat angles P-C4'-P energy: -111.994 tors. eta vs tors. theta energy: -243.026 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: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2667.504632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.504632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.504632 (E_RNA) where: Base-Base interactions energy: -1811.500 where: short stacking energy: -851.096 Base-Backbone interact. energy: -0.180 local terms energy: -855.825311 where: bonds (distance) C4'-P energy: -165.834 bonds (distance) P-C4' energy: -156.252 flat angles C4'-P-C4' energy: -180.170 flat angles P-C4'-P energy: -121.883 tors. eta vs tors. theta energy: -231.687 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: 3 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2597.145476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.145476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.145476 (E_RNA) where: Base-Base interactions energy: -1765.256 where: short stacking energy: -770.178 Base-Backbone interact. energy: -3.428 local terms energy: -828.461341 where: bonds (distance) C4'-P energy: -158.018 bonds (distance) P-C4' energy: -156.566 flat angles C4'-P-C4' energy: -186.487 flat angles P-C4'-P energy: -114.863 tors. eta vs tors. theta energy: -212.527 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: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2445.757248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.757248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.757248 (E_RNA) where: Base-Base interactions energy: -1719.829 where: short stacking energy: -735.614 Base-Backbone interact. energy: -2.250 local terms energy: -723.678677 where: bonds (distance) C4'-P energy: -121.024 bonds (distance) P-C4' energy: -155.033 flat angles C4'-P-C4' energy: -153.081 flat angles P-C4'-P energy: -119.367 tors. eta vs tors. theta energy: -175.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2068.984033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.984033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.984033 (E_RNA) where: Base-Base interactions energy: -1412.874 where: short stacking energy: -609.155 Base-Backbone interact. energy: 2.601 local terms energy: -658.710726 where: bonds (distance) C4'-P energy: -122.901 bonds (distance) P-C4' energy: -161.450 flat angles C4'-P-C4' energy: -160.231 flat angles P-C4'-P energy: -92.328 tors. eta vs tors. theta energy: -121.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1884.629005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.629005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.629005 (E_RNA) where: Base-Base interactions energy: -1214.432 where: short stacking energy: -549.627 Base-Backbone interact. energy: -4.976 local terms energy: -665.221669 where: bonds (distance) C4'-P energy: -153.033 bonds (distance) P-C4' energy: -135.347 flat angles C4'-P-C4' energy: -144.658 flat angles P-C4'-P energy: -117.451 tors. eta vs tors. theta energy: -114.732 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: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -1903.121343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.121343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.121343 (E_RNA) where: Base-Base interactions energy: -1262.145 where: short stacking energy: -538.482 Base-Backbone interact. energy: -0.739 local terms energy: -640.236678 where: bonds (distance) C4'-P energy: -124.730 bonds (distance) P-C4' energy: -152.882 flat angles C4'-P-C4' energy: -163.484 flat angles P-C4'-P energy: -88.820 tors. eta vs tors. theta energy: -110.322 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: 215 Temperature: 1.300000 Total energy: -1191.326273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.326273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.326273 (E_RNA) where: Base-Base interactions energy: -699.991 where: short stacking energy: -363.732 Base-Backbone interact. energy: 0.786 local terms energy: -492.120447 where: bonds (distance) C4'-P energy: -123.672 bonds (distance) P-C4' energy: -145.472 flat angles C4'-P-C4' energy: -125.759 flat angles P-C4'-P energy: -49.708 tors. eta vs tors. theta energy: -47.510 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: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -919.763657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.763657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.763657 (E_RNA) where: Base-Base interactions energy: -503.580 where: short stacking energy: -263.396 Base-Backbone interact. energy: 5.023 local terms energy: -421.206634 where: bonds (distance) C4'-P energy: -131.457 bonds (distance) P-C4' energy: -124.707 flat angles C4'-P-C4' energy: -102.607 flat angles P-C4'-P energy: -65.984 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: 1, replica: 1 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3025.211445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.211445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.211445 (E_RNA) where: Base-Base interactions energy: -2099.066 where: short stacking energy: -931.389 Base-Backbone interact. energy: -2.452 local terms energy: -923.694177 where: bonds (distance) C4'-P energy: -169.245 bonds (distance) P-C4' energy: -149.353 flat angles C4'-P-C4' energy: -203.230 flat angles P-C4'-P energy: -123.797 tors. eta vs tors. theta energy: -278.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -2852.019285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.019285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.019285 (E_RNA) where: Base-Base interactions energy: -1948.592 where: short stacking energy: -837.638 Base-Backbone interact. energy: -1.183 local terms energy: -902.244141 where: bonds (distance) C4'-P energy: -172.307 bonds (distance) P-C4' energy: -171.172 flat angles C4'-P-C4' energy: -179.547 flat angles P-C4'-P energy: -140.010 tors. eta vs tors. theta energy: -239.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2659.996972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.996972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.996972 (E_RNA) where: Base-Base interactions energy: -1817.071 where: short stacking energy: -847.624 Base-Backbone interact. energy: -2.144 local terms energy: -840.782045 where: bonds (distance) C4'-P energy: -152.267 bonds (distance) P-C4' energy: -167.948 flat angles C4'-P-C4' energy: -175.233 flat angles P-C4'-P energy: -104.313 tors. eta vs tors. theta energy: -241.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2592.721468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.721468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.721468 (E_RNA) where: Base-Base interactions energy: -1787.876 where: short stacking energy: -804.206 Base-Backbone interact. energy: -3.782 local terms energy: -801.063854 where: bonds (distance) C4'-P energy: -136.970 bonds (distance) P-C4' energy: -152.887 flat angles C4'-P-C4' energy: -171.566 flat angles P-C4'-P energy: -114.105 tors. eta vs tors. theta energy: -225.536 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: 7 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2488.696296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.696296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.696296 (E_RNA) where: Base-Base interactions energy: -1721.486 where: short stacking energy: -748.781 Base-Backbone interact. energy: 2.626 local terms energy: -769.836757 where: bonds (distance) C4'-P energy: -153.078 bonds (distance) P-C4' energy: -158.850 flat angles C4'-P-C4' energy: -149.153 flat angles P-C4'-P energy: -115.201 tors. eta vs tors. theta energy: -193.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2184.264151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.264151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.264151 (E_RNA) where: Base-Base interactions energy: -1536.671 where: short stacking energy: -642.188 Base-Backbone interact. energy: -5.596 local terms energy: -641.997494 where: bonds (distance) C4'-P energy: -133.157 bonds (distance) P-C4' energy: -138.308 flat angles C4'-P-C4' energy: -147.986 flat angles P-C4'-P energy: -86.325 tors. eta vs tors. theta energy: -136.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -1926.981864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.981864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.981864 (E_RNA) where: Base-Base interactions energy: -1246.334 where: short stacking energy: -540.504 Base-Backbone interact. energy: -1.863 local terms energy: -678.784694 where: bonds (distance) C4'-P energy: -146.042 bonds (distance) P-C4' energy: -154.418 flat angles C4'-P-C4' energy: -150.861 flat angles P-C4'-P energy: -105.814 tors. eta vs tors. theta energy: -121.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1838.650995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.650995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.650995 (E_RNA) where: Base-Base interactions energy: -1218.232 where: short stacking energy: -532.191 Base-Backbone interact. energy: 2.396 local terms energy: -622.815413 where: bonds (distance) C4'-P energy: -134.417 bonds (distance) P-C4' energy: -150.782 flat angles C4'-P-C4' energy: -143.820 flat angles P-C4'-P energy: -93.134 tors. eta vs tors. theta energy: -100.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1172.283280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.283280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.283280 (E_RNA) where: Base-Base interactions energy: -694.463 where: short stacking energy: -323.159 Base-Backbone interact. energy: -2.876 local terms energy: -474.944129 where: bonds (distance) C4'-P energy: -125.620 bonds (distance) P-C4' energy: -135.598 flat angles C4'-P-C4' energy: -118.224 flat angles P-C4'-P energy: -81.659 tors. eta vs tors. theta energy: -13.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -978.781926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.781926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.781926 (E_RNA) where: Base-Base interactions energy: -553.909 where: short stacking energy: -280.928 Base-Backbone interact. energy: 6.023 local terms energy: -430.896058 where: bonds (distance) C4'-P energy: -122.783 bonds (distance) P-C4' energy: -116.111 flat angles C4'-P-C4' energy: -119.023 flat angles P-C4'-P energy: -64.807 tors. eta vs tors. theta energy: -8.172 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: 1 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3052.398814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.398814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.398814 (E_RNA) where: Base-Base interactions energy: -2115.665 where: short stacking energy: -910.212 Base-Backbone interact. energy: -4.340 local terms energy: -932.393715 where: bonds (distance) C4'-P energy: -170.864 bonds (distance) P-C4' energy: -160.248 flat angles C4'-P-C4' energy: -201.885 flat angles P-C4'-P energy: -131.627 tors. eta vs tors. theta energy: -267.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -2856.333016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.333016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.333016 (E_RNA) where: Base-Base interactions energy: -2013.720 where: short stacking energy: -834.647 Base-Backbone interact. energy: -2.017 local terms energy: -840.595516 where: bonds (distance) C4'-P energy: -157.765 bonds (distance) P-C4' energy: -141.984 flat angles C4'-P-C4' energy: -182.608 flat angles P-C4'-P energy: -125.918 tors. eta vs tors. theta energy: -232.320 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: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2647.345857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.345857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.345857 (E_RNA) where: Base-Base interactions energy: -1834.881 where: short stacking energy: -839.392 Base-Backbone interact. energy: -1.089 local terms energy: -811.376036 where: bonds (distance) C4'-P energy: -143.121 bonds (distance) P-C4' energy: -152.393 flat angles C4'-P-C4' energy: -174.506 flat angles P-C4'-P energy: -111.589 tors. eta vs tors. theta energy: -229.767 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: 5 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2582.605616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.605616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.605616 (E_RNA) where: Base-Base interactions energy: -1753.723 where: short stacking energy: -786.236 Base-Backbone interact. energy: -2.679 local terms energy: -826.204454 where: bonds (distance) C4'-P energy: -154.980 bonds (distance) P-C4' energy: -166.369 flat angles C4'-P-C4' energy: -174.521 flat angles P-C4'-P energy: -121.978 tors. eta vs tors. theta energy: -208.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2482.298015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.298015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.298015 (E_RNA) where: Base-Base interactions energy: -1708.348 where: short stacking energy: -738.707 Base-Backbone interact. energy: -0.592 local terms energy: -773.358732 where: bonds (distance) C4'-P energy: -127.102 bonds (distance) P-C4' energy: -151.451 flat angles C4'-P-C4' energy: -178.085 flat angles P-C4'-P energy: -114.717 tors. eta vs tors. theta energy: -202.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2194.438931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.438931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.438931 (E_RNA) where: Base-Base interactions energy: -1518.076 where: short stacking energy: -621.338 Base-Backbone interact. energy: 4.239 local terms energy: -680.601758 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -150.382 flat angles C4'-P-C4' energy: -173.434 flat angles P-C4'-P energy: -101.580 tors. eta vs tors. theta energy: -135.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1901.742246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.742246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.742246 (E_RNA) where: Base-Base interactions energy: -1245.668 where: short stacking energy: -586.417 Base-Backbone interact. energy: 1.721 local terms energy: -657.795446 where: bonds (distance) C4'-P energy: -136.095 bonds (distance) P-C4' energy: -148.197 flat angles C4'-P-C4' energy: -148.686 flat angles P-C4'-P energy: -103.040 tors. eta vs tors. theta energy: -121.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1784.781880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.781880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.781880 (E_RNA) where: Base-Base interactions energy: -1178.886 where: short stacking energy: -554.994 Base-Backbone interact. energy: 4.409 local terms energy: -610.305652 where: bonds (distance) C4'-P energy: -123.639 bonds (distance) P-C4' energy: -154.838 flat angles C4'-P-C4' energy: -152.761 flat angles P-C4'-P energy: -70.931 tors. eta vs tors. theta energy: -108.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1279.301009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.301009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.301009 (E_RNA) where: Base-Base interactions energy: -747.822 where: short stacking energy: -379.246 Base-Backbone interact. energy: -0.475 local terms energy: -531.003791 where: bonds (distance) C4'-P energy: -135.357 bonds (distance) P-C4' energy: -140.293 flat angles C4'-P-C4' energy: -132.443 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -57.574 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: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -932.160136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.160136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.160136 (E_RNA) where: Base-Base interactions energy: -471.884 where: short stacking energy: -282.317 Base-Backbone interact. energy: 7.732 local terms energy: -468.007830 where: bonds (distance) C4'-P energy: -132.736 bonds (distance) P-C4' energy: -140.188 flat angles C4'-P-C4' energy: -118.691 flat angles P-C4'-P energy: -75.142 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3042.390148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.390148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.390148 (E_RNA) where: Base-Base interactions energy: -2121.709 where: short stacking energy: -925.478 Base-Backbone interact. energy: -4.399 local terms energy: -916.282257 where: bonds (distance) C4'-P energy: -162.368 bonds (distance) P-C4' energy: -170.359 flat angles C4'-P-C4' energy: -186.402 flat angles P-C4'-P energy: -133.408 tors. eta vs tors. theta energy: -263.745 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: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -2804.714120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.714120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.714120 (E_RNA) where: Base-Base interactions energy: -1956.897 where: short stacking energy: -801.812 Base-Backbone interact. energy: -4.119 local terms energy: -843.698060 where: bonds (distance) C4'-P energy: -163.916 bonds (distance) P-C4' energy: -156.482 flat angles C4'-P-C4' energy: -172.105 flat angles P-C4'-P energy: -116.424 tors. eta vs tors. theta energy: -234.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2695.381827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.381827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.381827 (E_RNA) where: Base-Base interactions energy: -1850.226 where: short stacking energy: -821.781 Base-Backbone interact. energy: -2.531 local terms energy: -842.625457 where: bonds (distance) C4'-P energy: -143.398 bonds (distance) P-C4' energy: -164.812 flat angles C4'-P-C4' energy: -187.074 flat angles P-C4'-P energy: -99.907 tors. eta vs tors. theta energy: -247.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2594.042405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.042405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.042405 (E_RNA) where: Base-Base interactions energy: -1769.757 where: short stacking energy: -790.574 Base-Backbone interact. energy: -0.902 local terms energy: -823.383819 where: bonds (distance) C4'-P energy: -148.251 bonds (distance) P-C4' energy: -167.243 flat angles C4'-P-C4' energy: -173.036 flat angles P-C4'-P energy: -117.082 tors. eta vs tors. theta energy: -217.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2513.901378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.901378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.901378 (E_RNA) where: Base-Base interactions energy: -1696.767 where: short stacking energy: -723.079 Base-Backbone interact. energy: -3.491 local terms energy: -813.642614 where: bonds (distance) C4'-P energy: -155.480 bonds (distance) P-C4' energy: -169.596 flat angles C4'-P-C4' energy: -183.668 flat angles P-C4'-P energy: -111.763 tors. eta vs tors. theta energy: -193.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2125.071486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.071486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.071486 (E_RNA) where: Base-Base interactions energy: -1476.756 where: short stacking energy: -615.347 Base-Backbone interact. energy: 1.702 local terms energy: -650.017472 where: bonds (distance) C4'-P energy: -107.011 bonds (distance) P-C4' energy: -159.838 flat angles C4'-P-C4' energy: -166.754 flat angles P-C4'-P energy: -86.664 tors. eta vs tors. theta energy: -129.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1903.100921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.100921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.100921 (E_RNA) where: Base-Base interactions energy: -1256.570 where: short stacking energy: -548.187 Base-Backbone interact. energy: -4.181 local terms energy: -642.350194 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -158.596 flat angles C4'-P-C4' energy: -149.966 flat angles P-C4'-P energy: -87.241 tors. eta vs tors. theta energy: -110.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1745.075413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.075413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.075413 (E_RNA) where: Base-Base interactions energy: -1147.071 where: short stacking energy: -518.990 Base-Backbone interact. energy: 0.387 local terms energy: -598.391088 where: bonds (distance) C4'-P energy: -133.692 bonds (distance) P-C4' energy: -123.937 flat angles C4'-P-C4' energy: -150.821 flat angles P-C4'-P energy: -80.169 tors. eta vs tors. theta energy: -109.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1209.187138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.187138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.187138 (E_RNA) where: Base-Base interactions energy: -711.098 where: short stacking energy: -358.106 Base-Backbone interact. energy: 2.358 local terms energy: -500.447070 where: bonds (distance) C4'-P energy: -136.307 bonds (distance) P-C4' energy: -115.594 flat angles C4'-P-C4' energy: -136.210 flat angles P-C4'-P energy: -78.812 tors. eta vs tors. theta energy: -33.524 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: 6 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -958.091740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.091740 (E_RNA) where: Base-Base interactions energy: -514.286 where: short stacking energy: -264.915 Base-Backbone interact. energy: -1.953 local terms energy: -441.852975 where: bonds (distance) C4'-P energy: -112.101 bonds (distance) P-C4' energy: -151.480 flat angles C4'-P-C4' energy: -141.265 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: 10.128 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: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3054.713482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.713482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.713482 (E_RNA) where: Base-Base interactions energy: -2130.655 where: short stacking energy: -942.288 Base-Backbone interact. energy: -4.527 local terms energy: -919.531933 where: bonds (distance) C4'-P energy: -148.365 bonds (distance) P-C4' energy: -161.991 flat angles C4'-P-C4' energy: -194.757 flat angles P-C4'-P energy: -140.607 tors. eta vs tors. theta energy: -273.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -2846.394160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.394160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.394160 (E_RNA) where: Base-Base interactions energy: -1994.266 where: short stacking energy: -823.221 Base-Backbone interact. energy: -4.677 local terms energy: -847.451138 where: bonds (distance) C4'-P energy: -154.140 bonds (distance) P-C4' energy: -151.651 flat angles C4'-P-C4' energy: -188.216 flat angles P-C4'-P energy: -111.622 tors. eta vs tors. theta energy: -241.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2687.944992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.944992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.944992 (E_RNA) where: Base-Base interactions energy: -1815.246 where: short stacking energy: -827.072 Base-Backbone interact. energy: -0.428 local terms energy: -872.270985 where: bonds (distance) C4'-P energy: -148.596 bonds (distance) P-C4' energy: -166.246 flat angles C4'-P-C4' energy: -175.461 flat angles P-C4'-P energy: -138.127 tors. eta vs tors. theta energy: -243.840 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: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2634.463266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.463266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.463266 (E_RNA) where: Base-Base interactions energy: -1840.575 where: short stacking energy: -825.216 Base-Backbone interact. energy: -2.406 local terms energy: -791.481825 where: bonds (distance) C4'-P energy: -124.574 bonds (distance) P-C4' energy: -156.193 flat angles C4'-P-C4' energy: -180.676 flat angles P-C4'-P energy: -109.339 tors. eta vs tors. theta energy: -220.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2413.807470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.807470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.807470 (E_RNA) where: Base-Base interactions energy: -1646.973 where: short stacking energy: -703.942 Base-Backbone interact. energy: -3.016 local terms energy: -763.818970 where: bonds (distance) C4'-P energy: -154.996 bonds (distance) P-C4' energy: -146.292 flat angles C4'-P-C4' energy: -169.460 flat angles P-C4'-P energy: -106.239 tors. eta vs tors. theta energy: -186.831 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: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2195.263033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2195.263033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2195.263033 (E_RNA) where: Base-Base interactions energy: -1521.914 where: short stacking energy: -597.725 Base-Backbone interact. energy: 2.272 local terms energy: -675.620416 where: bonds (distance) C4'-P energy: -139.398 bonds (distance) P-C4' energy: -144.944 flat angles C4'-P-C4' energy: -168.670 flat angles P-C4'-P energy: -92.662 tors. eta vs tors. theta energy: -129.946 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: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1886.095369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.095369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.095369 (E_RNA) where: Base-Base interactions energy: -1253.024 where: short stacking energy: -575.500 Base-Backbone interact. energy: -1.221 local terms energy: -631.850078 where: bonds (distance) C4'-P energy: -138.825 bonds (distance) P-C4' energy: -122.872 flat angles C4'-P-C4' energy: -137.585 flat angles P-C4'-P energy: -100.049 tors. eta vs tors. theta energy: -132.519 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: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1758.905197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.905197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.905197 (E_RNA) where: Base-Base interactions energy: -1157.394 where: short stacking energy: -553.232 Base-Backbone interact. energy: -3.664 local terms energy: -597.847101 where: bonds (distance) C4'-P energy: -115.521 bonds (distance) P-C4' energy: -137.815 flat angles C4'-P-C4' energy: -145.100 flat angles P-C4'-P energy: -87.381 tors. eta vs tors. theta energy: -112.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1281.378702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.378702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.378702 (E_RNA) where: Base-Base interactions energy: -799.317 where: short stacking energy: -396.843 Base-Backbone interact. energy: 3.073 local terms energy: -485.134590 where: bonds (distance) C4'-P energy: -110.032 bonds (distance) P-C4' energy: -136.422 flat angles C4'-P-C4' energy: -122.372 flat angles P-C4'-P energy: -75.440 tors. eta vs tors. theta energy: -40.869 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: 6 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -946.962657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.962657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.962657 (E_RNA) where: Base-Base interactions energy: -506.848 where: short stacking energy: -284.099 Base-Backbone interact. energy: 0.200 local terms energy: -440.314412 where: bonds (distance) C4'-P energy: -141.798 bonds (distance) P-C4' energy: -131.845 flat angles C4'-P-C4' energy: -106.896 flat angles P-C4'-P energy: -56.090 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3017.778114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.778114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.778114 (E_RNA) where: Base-Base interactions energy: -2119.682 where: short stacking energy: -924.501 Base-Backbone interact. energy: -1.260 local terms energy: -896.835592 where: bonds (distance) C4'-P energy: -158.198 bonds (distance) P-C4' energy: -154.844 flat angles C4'-P-C4' energy: -190.147 flat angles P-C4'-P energy: -123.062 tors. eta vs tors. theta energy: -270.585 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: 10 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -2840.382792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.382792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.382792 (E_RNA) where: Base-Base interactions energy: -1981.711 where: short stacking energy: -830.451 Base-Backbone interact. energy: 3.354 local terms energy: -862.025910 where: bonds (distance) C4'-P energy: -154.005 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -188.430 flat angles P-C4'-P energy: -124.079 tors. eta vs tors. theta energy: -232.387 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: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2682.440131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.440131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.440131 (E_RNA) where: Base-Base interactions energy: -1817.277 where: short stacking energy: -817.057 Base-Backbone interact. energy: -3.114 local terms energy: -862.049105 where: bonds (distance) C4'-P energy: -164.432 bonds (distance) P-C4' energy: -166.467 flat angles C4'-P-C4' energy: -176.287 flat angles P-C4'-P energy: -122.922 tors. eta vs tors. theta energy: -231.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2545.047559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.047559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.047559 (E_RNA) where: Base-Base interactions energy: -1766.878 where: short stacking energy: -781.895 Base-Backbone interact. energy: -4.352 local terms energy: -773.817659 where: bonds (distance) C4'-P energy: -146.942 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -157.557 flat angles P-C4'-P energy: -107.235 tors. eta vs tors. theta energy: -198.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2364.581879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.581879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.581879 (E_RNA) where: Base-Base interactions energy: -1626.287 where: short stacking energy: -706.684 Base-Backbone interact. energy: 0.799 local terms energy: -739.093831 where: bonds (distance) C4'-P energy: -129.628 bonds (distance) P-C4' energy: -160.611 flat angles C4'-P-C4' energy: -163.741 flat angles P-C4'-P energy: -109.036 tors. eta vs tors. theta energy: -176.078 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: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2189.649258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.649258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.649258 (E_RNA) where: Base-Base interactions energy: -1524.826 where: short stacking energy: -619.606 Base-Backbone interact. energy: 0.362 local terms energy: -665.185499 where: bonds (distance) C4'-P energy: -148.655 bonds (distance) P-C4' energy: -154.753 flat angles C4'-P-C4' energy: -155.434 flat angles P-C4'-P energy: -76.279 tors. eta vs tors. theta energy: -130.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1956.253690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.253690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.253690 (E_RNA) where: Base-Base interactions energy: -1290.339 where: short stacking energy: -569.971 Base-Backbone interact. energy: -0.387 local terms energy: -665.527713 where: bonds (distance) C4'-P energy: -127.213 bonds (distance) P-C4' energy: -150.987 flat angles C4'-P-C4' energy: -156.502 flat angles P-C4'-P energy: -93.340 tors. eta vs tors. theta energy: -137.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1680.202279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.202279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.202279 (E_RNA) where: Base-Base interactions energy: -1048.455 where: short stacking energy: -496.129 Base-Backbone interact. energy: -4.627 local terms energy: -627.119869 where: bonds (distance) C4'-P energy: -126.443 bonds (distance) P-C4' energy: -144.465 flat angles C4'-P-C4' energy: -150.217 flat angles P-C4'-P energy: -86.407 tors. eta vs tors. theta energy: -119.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1300.567022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.567022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.567022 (E_RNA) where: Base-Base interactions energy: -763.172 where: short stacking energy: -374.905 Base-Backbone interact. energy: -1.174 local terms energy: -536.221076 where: bonds (distance) C4'-P energy: -135.180 bonds (distance) P-C4' energy: -126.616 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -73.863 tors. eta vs tors. theta energy: -64.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -870.804221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.804221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.804221 (E_RNA) where: Base-Base interactions energy: -428.149 where: short stacking energy: -237.969 Base-Backbone interact. energy: 1.061 local terms energy: -443.715771 where: bonds (distance) C4'-P energy: -110.894 bonds (distance) P-C4' energy: -147.052 flat angles C4'-P-C4' energy: -121.856 flat angles P-C4'-P energy: -81.722 tors. eta vs tors. theta energy: 17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3040.519363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.519363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.519363 (E_RNA) where: Base-Base interactions energy: -2117.914 where: short stacking energy: -931.054 Base-Backbone interact. energy: -3.012 local terms energy: -919.593602 where: bonds (distance) C4'-P energy: -165.103 bonds (distance) P-C4' energy: -157.833 flat angles C4'-P-C4' energy: -189.338 flat angles P-C4'-P energy: -133.982 tors. eta vs tors. theta energy: -273.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -2850.803982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.803982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.803982 (E_RNA) where: Base-Base interactions energy: -1975.435 where: short stacking energy: -821.313 Base-Backbone interact. energy: -3.839 local terms energy: -871.530340 where: bonds (distance) C4'-P energy: -153.698 bonds (distance) P-C4' energy: -168.786 flat angles C4'-P-C4' energy: -184.333 flat angles P-C4'-P energy: -124.124 tors. eta vs tors. theta energy: -240.590 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: 3, replica: 5 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2701.110178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.110178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.110178 (E_RNA) where: Base-Base interactions energy: -1838.265 where: short stacking energy: -825.650 Base-Backbone interact. energy: 1.739 local terms energy: -864.584504 where: bonds (distance) C4'-P energy: -156.814 bonds (distance) P-C4' energy: -155.196 flat angles C4'-P-C4' energy: -186.285 flat angles P-C4'-P energy: -125.628 tors. eta vs tors. theta energy: -240.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2606.889754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.889754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.889754 (E_RNA) where: Base-Base interactions energy: -1836.528 where: short stacking energy: -788.611 Base-Backbone interact. energy: -3.301 local terms energy: -767.060690 where: bonds (distance) C4'-P energy: -130.589 bonds (distance) P-C4' energy: -139.279 flat angles C4'-P-C4' energy: -165.690 flat angles P-C4'-P energy: -113.160 tors. eta vs tors. theta energy: -218.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2350.003078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.003078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.003078 (E_RNA) where: Base-Base interactions energy: -1621.289 where: short stacking energy: -657.720 Base-Backbone interact. energy: -0.115 local terms energy: -728.598741 where: bonds (distance) C4'-P energy: -164.804 bonds (distance) P-C4' energy: -134.024 flat angles C4'-P-C4' energy: -164.456 flat angles P-C4'-P energy: -110.700 tors. eta vs tors. theta energy: -154.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2149.491549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.491549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.491549 (E_RNA) where: Base-Base interactions energy: -1454.348 where: short stacking energy: -611.191 Base-Backbone interact. energy: 0.814 local terms energy: -695.956943 where: bonds (distance) C4'-P energy: -139.414 bonds (distance) P-C4' energy: -151.617 flat angles C4'-P-C4' energy: -158.261 flat angles P-C4'-P energy: -120.720 tors. eta vs tors. theta energy: -125.944 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: 2 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1887.305379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.305379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.305379 (E_RNA) where: Base-Base interactions energy: -1255.272 where: short stacking energy: -549.782 Base-Backbone interact. energy: -1.035 local terms energy: -630.998952 where: bonds (distance) C4'-P energy: -143.506 bonds (distance) P-C4' energy: -134.875 flat angles C4'-P-C4' energy: -142.750 flat angles P-C4'-P energy: -95.461 tors. eta vs tors. theta energy: -114.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1715.926507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.926507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.926507 (E_RNA) where: Base-Base interactions energy: -1136.160 where: short stacking energy: -514.887 Base-Backbone interact. energy: 6.301 local terms energy: -586.068094 where: bonds (distance) C4'-P energy: -129.171 bonds (distance) P-C4' energy: -145.782 flat angles C4'-P-C4' energy: -136.326 flat angles P-C4'-P energy: -77.392 tors. eta vs tors. theta energy: -97.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1265.342526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.342526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.342526 (E_RNA) where: Base-Base interactions energy: -724.599 where: short stacking energy: -341.612 Base-Backbone interact. energy: 4.889 local terms energy: -545.632191 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -141.614 flat angles C4'-P-C4' energy: -124.132 flat angles P-C4'-P energy: -88.630 tors. eta vs tors. theta energy: -54.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -895.900371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.900371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.900371 (E_RNA) where: Base-Base interactions energy: -446.419 where: short stacking energy: -260.247 Base-Backbone interact. energy: -1.047 local terms energy: -448.434357 where: bonds (distance) C4'-P energy: -125.536 bonds (distance) P-C4' energy: -133.409 flat angles C4'-P-C4' energy: -103.307 flat angles P-C4'-P energy: -84.485 tors. eta vs tors. theta energy: -1.697 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: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3032.998721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.998721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.998721 (E_RNA) where: Base-Base interactions energy: -2111.053 where: short stacking energy: -928.635 Base-Backbone interact. energy: 0.266 local terms energy: -922.210934 where: bonds (distance) C4'-P energy: -153.280 bonds (distance) P-C4' energy: -165.595 flat angles C4'-P-C4' energy: -203.288 flat angles P-C4'-P energy: -134.961 tors. eta vs tors. theta energy: -265.087 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: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -2842.261137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.261137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.261137 (E_RNA) where: Base-Base interactions energy: -1959.464 where: short stacking energy: -838.217 Base-Backbone interact. energy: -3.932 local terms energy: -878.865535 where: bonds (distance) C4'-P energy: -163.852 bonds (distance) P-C4' energy: -166.331 flat angles C4'-P-C4' energy: -188.024 flat angles P-C4'-P energy: -116.466 tors. eta vs tors. theta energy: -244.193 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: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2706.719831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.719831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.719831 (E_RNA) where: Base-Base interactions energy: -1856.301 where: short stacking energy: -828.376 Base-Backbone interact. energy: -1.676 local terms energy: -848.742393 where: bonds (distance) C4'-P energy: -159.183 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -182.922 flat angles P-C4'-P energy: -123.384 tors. eta vs tors. theta energy: -227.633 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: 222 Temperature: 1.050000 Total energy: -2623.521643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.521643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.521643 (E_RNA) where: Base-Base interactions energy: -1819.440 where: short stacking energy: -815.974 Base-Backbone interact. energy: -2.851 local terms energy: -801.230310 where: bonds (distance) C4'-P energy: -157.141 bonds (distance) P-C4' energy: -144.329 flat angles C4'-P-C4' energy: -173.463 flat angles P-C4'-P energy: -103.268 tors. eta vs tors. theta energy: -223.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2377.114349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.114349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.114349 (E_RNA) where: Base-Base interactions energy: -1652.404 where: short stacking energy: -702.508 Base-Backbone interact. energy: -2.211 local terms energy: -722.498708 where: bonds (distance) C4'-P energy: -131.670 bonds (distance) P-C4' energy: -146.214 flat angles C4'-P-C4' energy: -163.293 flat angles P-C4'-P energy: -127.271 tors. eta vs tors. theta energy: -154.049 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: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2176.768035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.768035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.768035 (E_RNA) where: Base-Base interactions energy: -1514.359 where: short stacking energy: -590.049 Base-Backbone interact. energy: 4.160 local terms energy: -666.569496 where: bonds (distance) C4'-P energy: -146.415 bonds (distance) P-C4' energy: -146.352 flat angles C4'-P-C4' energy: -150.886 flat angles P-C4'-P energy: -100.729 tors. eta vs tors. theta energy: -122.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1875.557876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.557876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.557876 (E_RNA) where: Base-Base interactions energy: -1228.042 where: short stacking energy: -522.431 Base-Backbone interact. energy: -4.054 local terms energy: -643.461586 where: bonds (distance) C4'-P energy: -135.049 bonds (distance) P-C4' energy: -152.525 flat angles C4'-P-C4' energy: -146.572 flat angles P-C4'-P energy: -97.399 tors. eta vs tors. theta energy: -111.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1720.508449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.508449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.508449 (E_RNA) where: Base-Base interactions energy: -1124.876 where: short stacking energy: -511.943 Base-Backbone interact. energy: -1.084 local terms energy: -594.548294 where: bonds (distance) C4'-P energy: -122.736 bonds (distance) P-C4' energy: -139.637 flat angles C4'-P-C4' energy: -142.377 flat angles P-C4'-P energy: -75.563 tors. eta vs tors. theta energy: -114.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1167.039371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.039371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.039371 (E_RNA) where: Base-Base interactions energy: -673.695 where: short stacking energy: -346.593 Base-Backbone interact. energy: 3.882 local terms energy: -497.225987 where: bonds (distance) C4'-P energy: -130.373 bonds (distance) P-C4' energy: -145.511 flat angles C4'-P-C4' energy: -124.570 flat angles P-C4'-P energy: -64.590 tors. eta vs tors. theta energy: -32.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -964.592129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.592129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.592129 (E_RNA) where: Base-Base interactions energy: -482.357 where: short stacking energy: -265.271 Base-Backbone interact. energy: 0.232 local terms energy: -482.467214 where: bonds (distance) C4'-P energy: -137.779 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -113.598 flat angles P-C4'-P energy: -79.769 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3076.517144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.517144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.517144 (E_RNA) where: Base-Base interactions energy: -2135.999 where: short stacking energy: -917.944 Base-Backbone interact. energy: -5.518 local terms energy: -934.999709 where: bonds (distance) C4'-P energy: -172.584 bonds (distance) P-C4' energy: -184.745 flat angles C4'-P-C4' energy: -190.350 flat angles P-C4'-P energy: -132.608 tors. eta vs tors. theta energy: -254.713 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: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -2860.175918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.175918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.175918 (E_RNA) where: Base-Base interactions energy: -1996.287 where: short stacking energy: -848.844 Base-Backbone interact. energy: 4.041 local terms energy: -867.930212 where: bonds (distance) C4'-P energy: -148.267 bonds (distance) P-C4' energy: -165.032 flat angles C4'-P-C4' energy: -193.281 flat angles P-C4'-P energy: -124.863 tors. eta vs tors. theta energy: -236.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2717.274149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.274149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.274149 (E_RNA) where: Base-Base interactions energy: -1859.895 where: short stacking energy: -827.747 Base-Backbone interact. energy: -3.542 local terms energy: -853.836690 where: bonds (distance) C4'-P energy: -154.341 bonds (distance) P-C4' energy: -148.566 flat angles C4'-P-C4' energy: -193.300 flat angles P-C4'-P energy: -119.932 tors. eta vs tors. theta energy: -237.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2609.016465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.016465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.016465 (E_RNA) where: Base-Base interactions energy: -1800.103 where: short stacking energy: -808.900 Base-Backbone interact. energy: 3.731 local terms energy: -812.644489 where: bonds (distance) C4'-P energy: -143.308 bonds (distance) P-C4' energy: -159.297 flat angles C4'-P-C4' energy: -175.037 flat angles P-C4'-P energy: -116.649 tors. eta vs tors. theta energy: -218.354 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: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2374.633288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.633288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.633288 (E_RNA) where: Base-Base interactions energy: -1603.439 where: short stacking energy: -691.004 Base-Backbone interact. energy: -4.551 local terms energy: -766.642694 where: bonds (distance) C4'-P energy: -151.399 bonds (distance) P-C4' energy: -138.021 flat angles C4'-P-C4' energy: -166.212 flat angles P-C4'-P energy: -124.615 tors. eta vs tors. theta energy: -186.396 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: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2149.534765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.534765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.534765 (E_RNA) where: Base-Base interactions energy: -1474.972 where: short stacking energy: -608.054 Base-Backbone interact. energy: 6.163 local terms energy: -680.725831 where: bonds (distance) C4'-P energy: -140.102 bonds (distance) P-C4' energy: -160.622 flat angles C4'-P-C4' energy: -157.596 flat angles P-C4'-P energy: -92.591 tors. eta vs tors. theta energy: -129.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1893.077778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.077778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.077778 (E_RNA) where: Base-Base interactions energy: -1310.374 where: short stacking energy: -581.104 Base-Backbone interact. energy: 3.162 local terms energy: -585.865466 where: bonds (distance) C4'-P energy: -120.006 bonds (distance) P-C4' energy: -138.750 flat angles C4'-P-C4' energy: -136.501 flat angles P-C4'-P energy: -57.314 tors. eta vs tors. theta energy: -133.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1748.139189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.139189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.139189 (E_RNA) where: Base-Base interactions energy: -1164.688 where: short stacking energy: -486.441 Base-Backbone interact. energy: -0.346 local terms energy: -583.105136 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -121.573 flat angles C4'-P-C4' energy: -146.827 flat angles P-C4'-P energy: -77.532 tors. eta vs tors. theta energy: -113.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1156.781483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.781483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.781483 (E_RNA) where: Base-Base interactions energy: -618.740 where: short stacking energy: -309.048 Base-Backbone interact. energy: -1.231 local terms energy: -536.811112 where: bonds (distance) C4'-P energy: -132.127 bonds (distance) P-C4' energy: -146.551 flat angles C4'-P-C4' energy: -130.073 flat angles P-C4'-P energy: -96.508 tors. eta vs tors. theta energy: -31.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -860.713523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.713523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.713523 (E_RNA) where: Base-Base interactions energy: -437.355 where: short stacking energy: -264.137 Base-Backbone interact. energy: 2.743 local terms energy: -426.101841 where: bonds (distance) C4'-P energy: -108.451 bonds (distance) P-C4' energy: -139.224 flat angles C4'-P-C4' energy: -112.906 flat angles P-C4'-P energy: -66.415 tors. eta vs tors. theta energy: 0.896 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: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3068.062350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.062350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.062350 (E_RNA) where: Base-Base interactions energy: -2160.829 where: short stacking energy: -927.516 Base-Backbone interact. energy: 0.816 local terms energy: -908.049398 where: bonds (distance) C4'-P energy: -148.514 bonds (distance) P-C4' energy: -173.091 flat angles C4'-P-C4' energy: -197.242 flat angles P-C4'-P energy: -121.572 tors. eta vs tors. theta energy: -267.630 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: 10 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -2863.857215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.857215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.857215 (E_RNA) where: Base-Base interactions energy: -2020.712 where: short stacking energy: -839.078 Base-Backbone interact. energy: -4.227 local terms energy: -838.917679 where: bonds (distance) C4'-P energy: -152.133 bonds (distance) P-C4' energy: -163.997 flat angles C4'-P-C4' energy: -174.726 flat angles P-C4'-P energy: -114.593 tors. eta vs tors. theta energy: -233.468 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: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2713.199218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.199218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.199218 (E_RNA) where: Base-Base interactions energy: -1848.629 where: short stacking energy: -829.707 Base-Backbone interact. energy: -2.725 local terms energy: -861.845809 where: bonds (distance) C4'-P energy: -156.531 bonds (distance) P-C4' energy: -149.881 flat angles C4'-P-C4' energy: -175.901 flat angles P-C4'-P energy: -130.700 tors. eta vs tors. theta energy: -248.833 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: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2577.217354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.217354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.217354 (E_RNA) where: Base-Base interactions energy: -1788.398 where: short stacking energy: -774.697 Base-Backbone interact. energy: 1.377 local terms energy: -790.196580 where: bonds (distance) C4'-P energy: -152.396 bonds (distance) P-C4' energy: -138.994 flat angles C4'-P-C4' energy: -170.866 flat angles P-C4'-P energy: -114.180 tors. eta vs tors. theta energy: -213.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2371.286775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.286775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.286775 (E_RNA) where: Base-Base interactions energy: -1677.103 where: short stacking energy: -726.019 Base-Backbone interact. energy: -1.921 local terms energy: -692.262746 where: bonds (distance) C4'-P energy: -129.765 bonds (distance) P-C4' energy: -123.092 flat angles C4'-P-C4' energy: -176.063 flat angles P-C4'-P energy: -91.697 tors. eta vs tors. theta energy: -171.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2086.010136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.010136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.010136 (E_RNA) where: Base-Base interactions energy: -1439.763 where: short stacking energy: -614.669 Base-Backbone interact. energy: 3.143 local terms energy: -649.389476 where: bonds (distance) C4'-P energy: -153.206 bonds (distance) P-C4' energy: -128.309 flat angles C4'-P-C4' energy: -149.220 flat angles P-C4'-P energy: -79.023 tors. eta vs tors. theta energy: -139.631 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: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -1985.526433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.526433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.526433 (E_RNA) where: Base-Base interactions energy: -1349.549 where: short stacking energy: -563.451 Base-Backbone interact. energy: -0.725 local terms energy: -635.252145 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -137.271 flat angles C4'-P-C4' energy: -158.638 flat angles P-C4'-P energy: -87.118 tors. eta vs tors. theta energy: -109.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1641.664666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.664666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.664666 (E_RNA) where: Base-Base interactions energy: -1047.643 where: short stacking energy: -485.893 Base-Backbone interact. energy: 1.714 local terms energy: -595.735253 where: bonds (distance) C4'-P energy: -136.202 bonds (distance) P-C4' energy: -151.893 flat angles C4'-P-C4' energy: -145.677 flat angles P-C4'-P energy: -76.362 tors. eta vs tors. theta energy: -85.601 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: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1271.459687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.459687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.459687 (E_RNA) where: Base-Base interactions energy: -738.736 where: short stacking energy: -379.195 Base-Backbone interact. energy: -1.222 local terms energy: -531.501401 where: bonds (distance) C4'-P energy: -130.653 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -116.358 flat angles P-C4'-P energy: -87.644 tors. eta vs tors. theta energy: -42.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -856.718064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.718064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.718064 (E_RNA) where: Base-Base interactions energy: -436.303 where: short stacking energy: -258.284 Base-Backbone interact. energy: 5.363 local terms energy: -425.777780 where: bonds (distance) C4'-P energy: -144.184 bonds (distance) P-C4' energy: -136.295 flat angles C4'-P-C4' energy: -129.284 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: 29.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3047.868932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.868932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.868932 (E_RNA) where: Base-Base interactions energy: -2142.555 where: short stacking energy: -929.384 Base-Backbone interact. energy: 1.726 local terms energy: -907.039789 where: bonds (distance) C4'-P energy: -169.007 bonds (distance) P-C4' energy: -164.756 flat angles C4'-P-C4' energy: -171.313 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -280.844 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: 10 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -2814.851687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.851687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.851687 (E_RNA) where: Base-Base interactions energy: -1938.459 where: short stacking energy: -817.260 Base-Backbone interact. energy: -0.432 local terms energy: -875.960939 where: bonds (distance) C4'-P energy: -148.770 bonds (distance) P-C4' energy: -175.870 flat angles C4'-P-C4' energy: -193.597 flat angles P-C4'-P energy: -118.041 tors. eta vs tors. theta energy: -239.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2709.735661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.735661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.735661 (E_RNA) where: Base-Base interactions energy: -1878.461 where: short stacking energy: -827.374 Base-Backbone interact. energy: -2.496 local terms energy: -828.778609 where: bonds (distance) C4'-P energy: -138.921 bonds (distance) P-C4' energy: -163.962 flat angles C4'-P-C4' energy: -185.602 flat angles P-C4'-P energy: -105.465 tors. eta vs tors. theta energy: -234.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2597.630663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.630663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.630663 (E_RNA) where: Base-Base interactions energy: -1782.512 where: short stacking energy: -782.263 Base-Backbone interact. energy: -0.539 local terms energy: -814.580188 where: bonds (distance) C4'-P energy: -150.511 bonds (distance) P-C4' energy: -163.953 flat angles C4'-P-C4' energy: -174.192 flat angles P-C4'-P energy: -108.936 tors. eta vs tors. theta energy: -216.987 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: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2371.032682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.032682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.032682 (E_RNA) where: Base-Base interactions energy: -1652.927 where: short stacking energy: -684.652 Base-Backbone interact. energy: 8.316 local terms energy: -726.422040 where: bonds (distance) C4'-P energy: -155.030 bonds (distance) P-C4' energy: -153.314 flat angles C4'-P-C4' energy: -158.437 flat angles P-C4'-P energy: -93.280 tors. eta vs tors. theta energy: -166.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2107.787796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.787796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.787796 (E_RNA) where: Base-Base interactions energy: -1449.379 where: short stacking energy: -581.112 Base-Backbone interact. energy: -2.978 local terms energy: -655.430219 where: bonds (distance) C4'-P energy: -123.623 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -150.525 flat angles P-C4'-P energy: -115.654 tors. eta vs tors. theta energy: -125.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2048.019184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.019184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.019184 (E_RNA) where: Base-Base interactions energy: -1390.350 where: short stacking energy: -594.037 Base-Backbone interact. energy: 0.407 local terms energy: -658.076082 where: bonds (distance) C4'-P energy: -133.022 bonds (distance) P-C4' energy: -155.665 flat angles C4'-P-C4' energy: -147.187 flat angles P-C4'-P energy: -102.279 tors. eta vs tors. theta energy: -119.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1642.890408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.890408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.890408 (E_RNA) where: Base-Base interactions energy: -1053.378 where: short stacking energy: -474.680 Base-Backbone interact. energy: -4.133 local terms energy: -585.379349 where: bonds (distance) C4'-P energy: -148.518 bonds (distance) P-C4' energy: -132.359 flat angles C4'-P-C4' energy: -137.326 flat angles P-C4'-P energy: -82.916 tors. eta vs tors. theta energy: -84.260 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: 8 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1256.055212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.055212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.055212 (E_RNA) where: Base-Base interactions energy: -725.881 where: short stacking energy: -345.034 Base-Backbone interact. energy: 4.207 local terms energy: -534.380772 where: bonds (distance) C4'-P energy: -132.747 bonds (distance) P-C4' energy: -139.479 flat angles C4'-P-C4' energy: -145.146 flat angles P-C4'-P energy: -76.981 tors. eta vs tors. theta energy: -40.028 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: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -872.537991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.537991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.537991 (E_RNA) where: Base-Base interactions energy: -395.595 where: short stacking energy: -264.026 Base-Backbone interact. energy: 2.068 local terms energy: -479.010566 where: bonds (distance) C4'-P energy: -141.612 bonds (distance) P-C4' energy: -139.814 flat angles C4'-P-C4' energy: -101.331 flat angles P-C4'-P energy: -84.707 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: 1, replica: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3085.938181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.938181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.938181 (E_RNA) where: Base-Base interactions energy: -2163.515 where: short stacking energy: -950.986 Base-Backbone interact. energy: -3.472 local terms energy: -918.950697 where: bonds (distance) C4'-P energy: -155.031 bonds (distance) P-C4' energy: -168.451 flat angles C4'-P-C4' energy: -184.374 flat angles P-C4'-P energy: -139.442 tors. eta vs tors. theta energy: -271.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -2819.009378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.009378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.009378 (E_RNA) where: Base-Base interactions energy: -1949.278 where: short stacking energy: -846.193 Base-Backbone interact. energy: 0.007 local terms energy: -869.737960 where: bonds (distance) C4'-P energy: -159.704 bonds (distance) P-C4' energy: -163.468 flat angles C4'-P-C4' energy: -182.880 flat angles P-C4'-P energy: -122.135 tors. eta vs tors. theta energy: -241.551 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: 5 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2660.825347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.825347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.825347 (E_RNA) where: Base-Base interactions energy: -1844.143 where: short stacking energy: -808.681 Base-Backbone interact. energy: -3.086 local terms energy: -813.596220 where: bonds (distance) C4'-P energy: -159.984 bonds (distance) P-C4' energy: -143.709 flat angles C4'-P-C4' energy: -169.881 flat angles P-C4'-P energy: -111.467 tors. eta vs tors. theta energy: -228.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2603.680329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.680329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.680329 (E_RNA) where: Base-Base interactions energy: -1792.937 where: short stacking energy: -794.266 Base-Backbone interact. energy: -0.791 local terms energy: -809.952641 where: bonds (distance) C4'-P energy: -158.963 bonds (distance) P-C4' energy: -155.548 flat angles C4'-P-C4' energy: -169.237 flat angles P-C4'-P energy: -100.595 tors. eta vs tors. theta energy: -225.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2329.357460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.357460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.357460 (E_RNA) where: Base-Base interactions energy: -1599.422 where: short stacking energy: -684.485 Base-Backbone interact. energy: -3.750 local terms energy: -726.184836 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -144.735 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -100.290 tors. eta vs tors. theta energy: -167.321 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: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2127.790228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.790228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.790228 (E_RNA) where: Base-Base interactions energy: -1473.622 where: short stacking energy: -594.394 Base-Backbone interact. energy: 0.163 local terms energy: -654.331130 where: bonds (distance) C4'-P energy: -137.768 bonds (distance) P-C4' energy: -150.587 flat angles C4'-P-C4' energy: -155.548 flat angles P-C4'-P energy: -94.024 tors. eta vs tors. theta energy: -116.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2006.075150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.075150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.075150 (E_RNA) where: Base-Base interactions energy: -1329.005 where: short stacking energy: -576.987 Base-Backbone interact. energy: -1.164 local terms energy: -675.906136 where: bonds (distance) C4'-P energy: -132.409 bonds (distance) P-C4' energy: -157.575 flat angles C4'-P-C4' energy: -155.956 flat angles P-C4'-P energy: -88.003 tors. eta vs tors. theta energy: -141.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1654.453928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.453928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.453928 (E_RNA) where: Base-Base interactions energy: -1048.184 where: short stacking energy: -468.239 Base-Backbone interact. energy: -2.716 local terms energy: -603.553214 where: bonds (distance) C4'-P energy: -139.396 bonds (distance) P-C4' energy: -150.463 flat angles C4'-P-C4' energy: -139.712 flat angles P-C4'-P energy: -80.333 tors. eta vs tors. theta energy: -93.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1312.105902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.105902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.105902 (E_RNA) where: Base-Base interactions energy: -773.985 where: short stacking energy: -372.532 Base-Backbone interact. energy: -2.973 local terms energy: -535.147478 where: bonds (distance) C4'-P energy: -131.702 bonds (distance) P-C4' energy: -139.241 flat angles C4'-P-C4' energy: -142.521 flat angles P-C4'-P energy: -74.702 tors. eta vs tors. theta energy: -46.982 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: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -826.825171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.825171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.825171 (E_RNA) where: Base-Base interactions energy: -393.074 where: short stacking energy: -222.581 Base-Backbone interact. energy: 2.956 local terms energy: -436.707706 where: bonds (distance) C4'-P energy: -136.826 bonds (distance) P-C4' energy: -137.112 flat angles C4'-P-C4' energy: -112.172 flat angles P-C4'-P energy: -39.933 tors. eta vs tors. theta energy: -10.664 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: 227 Temperature: 0.900000 Total energy: -3068.700333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.700333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.700333 (E_RNA) where: Base-Base interactions energy: -2124.622 where: short stacking energy: -923.653 Base-Backbone interact. energy: -0.833 local terms energy: -943.245286 where: bonds (distance) C4'-P energy: -182.371 bonds (distance) P-C4' energy: -176.229 flat angles C4'-P-C4' energy: -193.284 flat angles P-C4'-P energy: -117.191 tors. eta vs tors. theta energy: -274.171 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: 2, replica: 10 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -2818.120582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.120582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.120582 (E_RNA) where: Base-Base interactions energy: -1957.971 where: short stacking energy: -858.834 Base-Backbone interact. energy: -2.925 local terms energy: -857.224769 where: bonds (distance) C4'-P energy: -163.855 bonds (distance) P-C4' energy: -161.405 flat angles C4'-P-C4' energy: -178.939 flat angles P-C4'-P energy: -118.226 tors. eta vs tors. theta energy: -234.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2711.591200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.591200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.591200 (E_RNA) where: Base-Base interactions energy: -1834.534 where: short stacking energy: -832.400 Base-Backbone interact. energy: -1.114 local terms energy: -875.942973 where: bonds (distance) C4'-P energy: -170.659 bonds (distance) P-C4' energy: -150.854 flat angles C4'-P-C4' energy: -172.603 flat angles P-C4'-P energy: -135.155 tors. eta vs tors. theta energy: -246.672 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: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2616.902907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.902907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.902907 (E_RNA) where: Base-Base interactions energy: -1791.676 where: short stacking energy: -787.783 Base-Backbone interact. energy: 3.588 local terms energy: -828.814467 where: bonds (distance) C4'-P energy: -156.394 bonds (distance) P-C4' energy: -171.064 flat angles C4'-P-C4' energy: -183.192 flat angles P-C4'-P energy: -109.589 tors. eta vs tors. theta energy: -208.576 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: 5, replica: 7 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2365.808738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.808738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.808738 (E_RNA) where: Base-Base interactions energy: -1657.019 where: short stacking energy: -713.347 Base-Backbone interact. energy: 2.911 local terms energy: -711.700674 where: bonds (distance) C4'-P energy: -139.291 bonds (distance) P-C4' energy: -136.431 flat angles C4'-P-C4' energy: -172.350 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -168.769 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2120.735792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.735792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.735792 (E_RNA) where: Base-Base interactions energy: -1475.620 where: short stacking energy: -626.632 Base-Backbone interact. energy: -0.147 local terms energy: -644.968172 where: bonds (distance) C4'-P energy: -136.688 bonds (distance) P-C4' energy: -128.479 flat angles C4'-P-C4' energy: -156.286 flat angles P-C4'-P energy: -87.348 tors. eta vs tors. theta energy: -136.168 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: 2 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2030.868288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.868288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.868288 (E_RNA) where: Base-Base interactions energy: -1353.319 where: short stacking energy: -590.119 Base-Backbone interact. energy: 0.223 local terms energy: -677.772099 where: bonds (distance) C4'-P energy: -129.727 bonds (distance) P-C4' energy: -154.463 flat angles C4'-P-C4' energy: -162.862 flat angles P-C4'-P energy: -85.809 tors. eta vs tors. theta energy: -144.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1649.312289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.312289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.312289 (E_RNA) where: Base-Base interactions energy: -1053.506 where: short stacking energy: -473.960 Base-Backbone interact. energy: 4.325 local terms energy: -600.131231 where: bonds (distance) C4'-P energy: -135.613 bonds (distance) P-C4' energy: -140.885 flat angles C4'-P-C4' energy: -128.711 flat angles P-C4'-P energy: -96.463 tors. eta vs tors. theta energy: -98.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1322.635862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.635862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.635862 (E_RNA) where: Base-Base interactions energy: -800.565 where: short stacking energy: -393.575 Base-Backbone interact. energy: 0.649 local terms energy: -522.719529 where: bonds (distance) C4'-P energy: -118.279 bonds (distance) P-C4' energy: -126.612 flat angles C4'-P-C4' energy: -147.525 flat angles P-C4'-P energy: -86.059 tors. eta vs tors. theta energy: -44.245 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: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -884.188706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.188706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.188706 (E_RNA) where: Base-Base interactions energy: -454.859 where: short stacking energy: -259.556 Base-Backbone interact. energy: 0.591 local terms energy: -429.921019 where: bonds (distance) C4'-P energy: -135.791 bonds (distance) P-C4' energy: -140.676 flat angles C4'-P-C4' energy: -112.848 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: 8.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3047.090385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.090385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.090385 (E_RNA) where: Base-Base interactions energy: -2132.150 where: short stacking energy: -909.986 Base-Backbone interact. energy: -0.859 local terms energy: -914.080639 where: bonds (distance) C4'-P energy: -169.987 bonds (distance) P-C4' energy: -164.169 flat angles C4'-P-C4' energy: -181.304 flat angles P-C4'-P energy: -128.609 tors. eta vs tors. theta energy: -270.011 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: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -2816.088033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.088033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.088033 (E_RNA) where: Base-Base interactions energy: -1926.348 where: short stacking energy: -818.087 Base-Backbone interact. energy: -2.842 local terms energy: -886.897522 where: bonds (distance) C4'-P energy: -169.594 bonds (distance) P-C4' energy: -166.510 flat angles C4'-P-C4' energy: -196.997 flat angles P-C4'-P energy: -119.815 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: 3, replica: 5 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2694.086939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.086939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.086939 (E_RNA) where: Base-Base interactions energy: -1854.671 where: short stacking energy: -830.865 Base-Backbone interact. energy: -2.292 local terms energy: -837.124716 where: bonds (distance) C4'-P energy: -150.930 bonds (distance) P-C4' energy: -169.628 flat angles C4'-P-C4' energy: -180.529 flat angles P-C4'-P energy: -114.184 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: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2579.498632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.498632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.498632 (E_RNA) where: Base-Base interactions energy: -1782.905 where: short stacking energy: -783.966 Base-Backbone interact. energy: -1.876 local terms energy: -794.717316 where: bonds (distance) C4'-P energy: -147.969 bonds (distance) P-C4' energy: -151.601 flat angles C4'-P-C4' energy: -177.417 flat angles P-C4'-P energy: -95.607 tors. eta vs tors. theta energy: -222.124 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2397.396186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.396186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.396186 (E_RNA) where: Base-Base interactions energy: -1629.705 where: short stacking energy: -725.319 Base-Backbone interact. energy: -2.646 local terms energy: -765.045619 where: bonds (distance) C4'-P energy: -127.565 bonds (distance) P-C4' energy: -164.357 flat angles C4'-P-C4' energy: -170.098 flat angles P-C4'-P energy: -110.724 tors. eta vs tors. theta energy: -192.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2171.262235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.262235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.262235 (E_RNA) where: Base-Base interactions energy: -1536.510 where: short stacking energy: -598.562 Base-Backbone interact. energy: -5.029 local terms energy: -629.723551 where: bonds (distance) C4'-P energy: -131.018 bonds (distance) P-C4' energy: -152.765 flat angles C4'-P-C4' energy: -147.105 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -107.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1988.302867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.302867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.302867 (E_RNA) where: Base-Base interactions energy: -1318.750 where: short stacking energy: -567.617 Base-Backbone interact. energy: 0.690 local terms energy: -670.242860 where: bonds (distance) C4'-P energy: -137.661 bonds (distance) P-C4' energy: -142.436 flat angles C4'-P-C4' energy: -149.960 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -143.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1680.435522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.435522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.435522 (E_RNA) where: Base-Base interactions energy: -1057.327 where: short stacking energy: -488.234 Base-Backbone interact. energy: 1.567 local terms energy: -624.675689 where: bonds (distance) C4'-P energy: -148.255 bonds (distance) P-C4' energy: -159.147 flat angles C4'-P-C4' energy: -144.143 flat angles P-C4'-P energy: -80.921 tors. eta vs tors. theta energy: -92.210 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: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1293.377498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.377498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.377498 (E_RNA) where: Base-Base interactions energy: -766.429 where: short stacking energy: -375.355 Base-Backbone interact. energy: 0.951 local terms energy: -527.899254 where: bonds (distance) C4'-P energy: -145.581 bonds (distance) P-C4' energy: -126.707 flat angles C4'-P-C4' energy: -121.782 flat angles P-C4'-P energy: -88.147 tors. eta vs tors. theta energy: -45.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -830.143393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.143393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.143393 (E_RNA) where: Base-Base interactions energy: -404.696 where: short stacking energy: -262.176 Base-Backbone interact. energy: 5.225 local terms energy: -430.672476 where: bonds (distance) C4'-P energy: -111.889 bonds (distance) P-C4' energy: -131.697 flat angles C4'-P-C4' energy: -107.534 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -14.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3069.838562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.838562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.838562 (E_RNA) where: Base-Base interactions energy: -2136.934 where: short stacking energy: -942.886 Base-Backbone interact. energy: -3.417 local terms energy: -929.487271 where: bonds (distance) C4'-P energy: -174.798 bonds (distance) P-C4' energy: -165.327 flat angles C4'-P-C4' energy: -190.349 flat angles P-C4'-P energy: -123.251 tors. eta vs tors. theta energy: -275.763 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: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -2810.679903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.679903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.679903 (E_RNA) where: Base-Base interactions energy: -1934.500 where: short stacking energy: -826.802 Base-Backbone interact. energy: -0.805 local terms energy: -875.375002 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -161.080 flat angles C4'-P-C4' energy: -191.868 flat angles P-C4'-P energy: -123.273 tors. eta vs tors. theta energy: -242.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2695.016677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.016677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.016677 (E_RNA) where: Base-Base interactions energy: -1861.324 where: short stacking energy: -838.770 Base-Backbone interact. energy: -1.142 local terms energy: -832.550032 where: bonds (distance) C4'-P energy: -164.973 bonds (distance) P-C4' energy: -143.491 flat angles C4'-P-C4' energy: -187.306 flat angles P-C4'-P energy: -97.776 tors. eta vs tors. theta energy: -239.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2561.422765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.422765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.422765 (E_RNA) where: Base-Base interactions energy: -1765.190 where: short stacking energy: -785.787 Base-Backbone interact. energy: -1.865 local terms energy: -794.367607 where: bonds (distance) C4'-P energy: -133.661 bonds (distance) P-C4' energy: -142.699 flat angles C4'-P-C4' energy: -178.868 flat angles P-C4'-P energy: -119.959 tors. eta vs tors. theta energy: -219.181 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: 7 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2449.456362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.456362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.456362 (E_RNA) where: Base-Base interactions energy: -1675.659 where: short stacking energy: -725.045 Base-Backbone interact. energy: -1.235 local terms energy: -772.561942 where: bonds (distance) C4'-P energy: -141.395 bonds (distance) P-C4' energy: -153.900 flat angles C4'-P-C4' energy: -188.347 flat angles P-C4'-P energy: -102.644 tors. eta vs tors. theta energy: -186.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2167.657746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.657746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.657746 (E_RNA) where: Base-Base interactions energy: -1523.725 where: short stacking energy: -614.377 Base-Backbone interact. energy: 0.459 local terms energy: -644.391871 where: bonds (distance) C4'-P energy: -142.332 bonds (distance) P-C4' energy: -142.265 flat angles C4'-P-C4' energy: -149.823 flat angles P-C4'-P energy: -93.756 tors. eta vs tors. theta energy: -116.215 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: 229 Temperature: 1.200000 Total energy: -2037.601626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.601626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.601626 (E_RNA) where: Base-Base interactions energy: -1379.494 where: short stacking energy: -585.161 Base-Backbone interact. energy: -0.283 local terms energy: -657.824968 where: bonds (distance) C4'-P energy: -134.531 bonds (distance) P-C4' energy: -133.613 flat angles C4'-P-C4' energy: -156.606 flat angles P-C4'-P energy: -105.914 tors. eta vs tors. theta energy: -127.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1604.410996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.410996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.410996 (E_RNA) where: Base-Base interactions energy: -1048.459 where: short stacking energy: -482.305 Base-Backbone interact. energy: 4.205 local terms energy: -560.156676 where: bonds (distance) C4'-P energy: -125.770 bonds (distance) P-C4' energy: -145.574 flat angles C4'-P-C4' energy: -126.669 flat angles P-C4'-P energy: -74.234 tors. eta vs tors. theta energy: -87.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1258.738999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.738999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.738999 (E_RNA) where: Base-Base interactions energy: -743.687 where: short stacking energy: -357.793 Base-Backbone interact. energy: -4.248 local terms energy: -510.803632 where: bonds (distance) C4'-P energy: -131.664 bonds (distance) P-C4' energy: -129.627 flat angles C4'-P-C4' energy: -139.729 flat angles P-C4'-P energy: -84.478 tors. eta vs tors. theta energy: -25.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -864.432554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.432554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.432554 (E_RNA) where: Base-Base interactions energy: -429.667 where: short stacking energy: -278.924 Base-Backbone interact. energy: -2.761 local terms energy: -432.004831 where: bonds (distance) C4'-P energy: -132.067 bonds (distance) P-C4' energy: -134.401 flat angles C4'-P-C4' energy: -95.833 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: -14.880 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: 230 Temperature: 0.900000 Total energy: -3062.647870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.647870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.647870 (E_RNA) where: Base-Base interactions energy: -2143.147 where: short stacking energy: -908.361 Base-Backbone interact. energy: -2.552 local terms energy: -916.949279 where: bonds (distance) C4'-P energy: -167.159 bonds (distance) P-C4' energy: -172.472 flat angles C4'-P-C4' energy: -189.990 flat angles P-C4'-P energy: -120.607 tors. eta vs tors. theta energy: -266.721 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: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -2881.052174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.052174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.052174 (E_RNA) where: Base-Base interactions energy: -1983.691 where: short stacking energy: -876.239 Base-Backbone interact. energy: -5.581 local terms energy: -891.779771 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -160.098 flat angles C4'-P-C4' energy: -191.002 flat angles P-C4'-P energy: -128.169 tors. eta vs tors. theta energy: -248.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2713.831796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.831796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.831796 (E_RNA) where: Base-Base interactions energy: -1860.239 where: short stacking energy: -867.360 Base-Backbone interact. energy: -2.897 local terms energy: -850.695660 where: bonds (distance) C4'-P energy: -145.409 bonds (distance) P-C4' energy: -171.671 flat angles C4'-P-C4' energy: -177.401 flat angles P-C4'-P energy: -114.680 tors. eta vs tors. theta energy: -241.535 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: 3 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2547.379072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.379072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.379072 (E_RNA) where: Base-Base interactions energy: -1762.570 where: short stacking energy: -765.565 Base-Backbone interact. energy: 1.330 local terms energy: -786.139770 where: bonds (distance) C4'-P energy: -134.062 bonds (distance) P-C4' energy: -155.131 flat angles C4'-P-C4' energy: -171.655 flat angles P-C4'-P energy: -121.838 tors. eta vs tors. theta energy: -203.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2396.308298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.308298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.308298 (E_RNA) where: Base-Base interactions energy: -1651.697 where: short stacking energy: -706.807 Base-Backbone interact. energy: -3.669 local terms energy: -740.942726 where: bonds (distance) C4'-P energy: -148.742 bonds (distance) P-C4' energy: -152.680 flat angles C4'-P-C4' energy: -144.586 flat angles P-C4'-P energy: -115.712 tors. eta vs tors. theta energy: -179.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2159.200347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.200347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.200347 (E_RNA) where: Base-Base interactions energy: -1513.151 where: short stacking energy: -646.665 Base-Backbone interact. energy: -4.076 local terms energy: -641.973517 where: bonds (distance) C4'-P energy: -122.639 bonds (distance) P-C4' energy: -150.468 flat angles C4'-P-C4' energy: -145.286 flat angles P-C4'-P energy: -94.746 tors. eta vs tors. theta energy: -128.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2018.561574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.561574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.561574 (E_RNA) where: Base-Base interactions energy: -1346.392 where: short stacking energy: -569.999 Base-Backbone interact. energy: -3.049 local terms energy: -669.120133 where: bonds (distance) C4'-P energy: -131.292 bonds (distance) P-C4' energy: -150.977 flat angles C4'-P-C4' energy: -162.671 flat angles P-C4'-P energy: -100.852 tors. eta vs tors. theta energy: -123.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1561.980746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.980746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.980746 (E_RNA) where: Base-Base interactions energy: -964.759 where: short stacking energy: -486.218 Base-Backbone interact. energy: 0.240 local terms energy: -597.461960 where: bonds (distance) C4'-P energy: -129.627 bonds (distance) P-C4' energy: -139.253 flat angles C4'-P-C4' energy: -137.987 flat angles P-C4'-P energy: -90.592 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: 9, replica: 8 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1393.412332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.412332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.412332 (E_RNA) where: Base-Base interactions energy: -869.378 where: short stacking energy: -387.334 Base-Backbone interact. energy: 6.831 local terms energy: -530.865598 where: bonds (distance) C4'-P energy: -124.922 bonds (distance) P-C4' energy: -142.498 flat angles C4'-P-C4' energy: -113.545 flat angles P-C4'-P energy: -81.992 tors. eta vs tors. theta energy: -67.909 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: 230 Temperature: 1.350000 Total energy: -949.683720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.683720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.683720 (E_RNA) where: Base-Base interactions energy: -483.684 where: short stacking energy: -293.713 Base-Backbone interact. energy: 0.837 local terms energy: -466.836758 where: bonds (distance) C4'-P energy: -126.873 bonds (distance) P-C4' energy: -148.941 flat angles C4'-P-C4' energy: -117.004 flat angles P-C4'-P energy: -63.696 tors. eta vs tors. theta energy: -10.322 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: 1, replica: 1 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3018.495841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.495841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.495841 (E_RNA) where: Base-Base interactions energy: -2117.008 where: short stacking energy: -890.544 Base-Backbone interact. energy: -2.980 local terms energy: -898.507817 where: bonds (distance) C4'-P energy: -157.904 bonds (distance) P-C4' energy: -173.506 flat angles C4'-P-C4' energy: -190.137 flat angles P-C4'-P energy: -125.782 tors. eta vs tors. theta energy: -251.179 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: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -2833.042992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.042992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.042992 (E_RNA) where: Base-Base interactions energy: -1942.971 where: short stacking energy: -824.877 Base-Backbone interact. energy: -0.912 local terms energy: -889.159168 where: bonds (distance) C4'-P energy: -163.695 bonds (distance) P-C4' energy: -172.624 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -132.634 tors. eta vs tors. theta energy: -230.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2704.070626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.070626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.070626 (E_RNA) where: Base-Base interactions energy: -1885.979 where: short stacking energy: -872.033 Base-Backbone interact. energy: -3.481 local terms energy: -814.610653 where: bonds (distance) C4'-P energy: -119.549 bonds (distance) P-C4' energy: -157.347 flat angles C4'-P-C4' energy: -175.211 flat angles P-C4'-P energy: -124.238 tors. eta vs tors. theta energy: -238.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2524.642457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.642457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.642457 (E_RNA) where: Base-Base interactions energy: -1719.954 where: short stacking energy: -760.756 Base-Backbone interact. energy: 0.317 local terms energy: -805.005529 where: bonds (distance) C4'-P energy: -147.268 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -181.801 flat angles P-C4'-P energy: -111.543 tors. eta vs tors. theta energy: -222.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2363.576829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.576829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.576829 (E_RNA) where: Base-Base interactions energy: -1647.584 where: short stacking energy: -718.882 Base-Backbone interact. energy: -1.247 local terms energy: -714.746441 where: bonds (distance) C4'-P energy: -116.892 bonds (distance) P-C4' energy: -154.744 flat angles C4'-P-C4' energy: -154.761 flat angles P-C4'-P energy: -113.959 tors. eta vs tors. theta energy: -174.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2183.130573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.130573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.130573 (E_RNA) where: Base-Base interactions energy: -1474.019 where: short stacking energy: -652.026 Base-Backbone interact. energy: -3.132 local terms energy: -705.980022 where: bonds (distance) C4'-P energy: -152.615 bonds (distance) P-C4' energy: -153.438 flat angles C4'-P-C4' energy: -165.181 flat angles P-C4'-P energy: -98.636 tors. eta vs tors. theta energy: -136.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2037.762122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2037.762122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2037.762122 (E_RNA) where: Base-Base interactions energy: -1395.566 where: short stacking energy: -615.061 Base-Backbone interact. energy: -2.753 local terms energy: -639.443205 where: bonds (distance) C4'-P energy: -109.595 bonds (distance) P-C4' energy: -147.533 flat angles C4'-P-C4' energy: -147.095 flat angles P-C4'-P energy: -85.183 tors. eta vs tors. theta energy: -150.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1597.439929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.439929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.439929 (E_RNA) where: Base-Base interactions energy: -1032.751 where: short stacking energy: -469.548 Base-Backbone interact. energy: -2.451 local terms energy: -562.238214 where: bonds (distance) C4'-P energy: -125.436 bonds (distance) P-C4' energy: -124.072 flat angles C4'-P-C4' energy: -133.691 flat angles P-C4'-P energy: -90.923 tors. eta vs tors. theta energy: -88.116 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: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1378.616088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.616088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.616088 (E_RNA) where: Base-Base interactions energy: -845.353 where: short stacking energy: -380.307 Base-Backbone interact. energy: -1.984 local terms energy: -531.279355 where: bonds (distance) C4'-P energy: -128.130 bonds (distance) P-C4' energy: -146.841 flat angles C4'-P-C4' energy: -115.336 flat angles P-C4'-P energy: -86.731 tors. eta vs tors. theta energy: -54.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -908.241865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.241865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.241865 (E_RNA) where: Base-Base interactions energy: -475.580 where: short stacking energy: -250.883 Base-Backbone interact. energy: -2.735 local terms energy: -429.926845 where: bonds (distance) C4'-P energy: -136.033 bonds (distance) P-C4' energy: -125.898 flat angles C4'-P-C4' energy: -95.613 flat angles P-C4'-P energy: -72.006 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3044.227238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.227238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.227238 (E_RNA) where: Base-Base interactions energy: -2107.852 where: short stacking energy: -923.025 Base-Backbone interact. energy: -2.896 local terms energy: -933.478804 where: bonds (distance) C4'-P energy: -162.434 bonds (distance) P-C4' energy: -176.331 flat angles C4'-P-C4' energy: -198.044 flat angles P-C4'-P energy: -126.836 tors. eta vs tors. theta energy: -269.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -2811.292422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.292422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.292422 (E_RNA) where: Base-Base interactions energy: -1950.476 where: short stacking energy: -838.389 Base-Backbone interact. energy: -4.262 local terms energy: -856.554480 where: bonds (distance) C4'-P energy: -166.487 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -178.583 flat angles P-C4'-P energy: -122.948 tors. eta vs tors. theta energy: -227.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2687.147222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.147222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.147222 (E_RNA) where: Base-Base interactions energy: -1813.723 where: short stacking energy: -851.883 Base-Backbone interact. energy: -1.321 local terms energy: -872.103275 where: bonds (distance) C4'-P energy: -156.930 bonds (distance) P-C4' energy: -169.692 flat angles C4'-P-C4' energy: -177.670 flat angles P-C4'-P energy: -118.725 tors. eta vs tors. theta energy: -249.086 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: 4, replica: 3 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2572.845251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.845251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.845251 (E_RNA) where: Base-Base interactions energy: -1750.092 where: short stacking energy: -768.018 Base-Backbone interact. energy: -3.233 local terms energy: -819.520128 where: bonds (distance) C4'-P energy: -153.677 bonds (distance) P-C4' energy: -175.131 flat angles C4'-P-C4' energy: -174.063 flat angles P-C4'-P energy: -100.397 tors. eta vs tors. theta energy: -216.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2412.501855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.501855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.501855 (E_RNA) where: Base-Base interactions energy: -1621.971 where: short stacking energy: -705.605 Base-Backbone interact. energy: -2.790 local terms energy: -787.740409 where: bonds (distance) C4'-P energy: -169.079 bonds (distance) P-C4' energy: -141.753 flat angles C4'-P-C4' energy: -160.580 flat angles P-C4'-P energy: -129.179 tors. eta vs tors. theta energy: -187.149 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: 6, replica: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2154.199490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.199490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.199490 (E_RNA) where: Base-Base interactions energy: -1473.535 where: short stacking energy: -625.271 Base-Backbone interact. energy: 1.360 local terms energy: -682.023900 where: bonds (distance) C4'-P energy: -129.812 bonds (distance) P-C4' energy: -151.043 flat angles C4'-P-C4' energy: -176.964 flat angles P-C4'-P energy: -95.291 tors. eta vs tors. theta energy: -128.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1952.448868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.448868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.448868 (E_RNA) where: Base-Base interactions energy: -1335.445 where: short stacking energy: -588.464 Base-Backbone interact. energy: -2.505 local terms energy: -614.499014 where: bonds (distance) C4'-P energy: -138.590 bonds (distance) P-C4' energy: -134.596 flat angles C4'-P-C4' energy: -133.681 flat angles P-C4'-P energy: -88.709 tors. eta vs tors. theta energy: -118.923 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: 4 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1561.090419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.090419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.090419 (E_RNA) where: Base-Base interactions energy: -998.927 where: short stacking energy: -470.535 Base-Backbone interact. energy: -3.175 local terms energy: -558.988038 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -145.473 flat angles C4'-P-C4' energy: -111.561 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -92.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1448.108224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.108224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.108224 (E_RNA) where: Base-Base interactions energy: -927.707 where: short stacking energy: -393.040 Base-Backbone interact. energy: 4.422 local terms energy: -524.823321 where: bonds (distance) C4'-P energy: -136.902 bonds (distance) P-C4' energy: -145.268 flat angles C4'-P-C4' energy: -108.698 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -73.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -926.150068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.150068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.150068 (E_RNA) where: Base-Base interactions energy: -459.534 where: short stacking energy: -275.522 Base-Backbone interact. energy: 0.251 local terms energy: -466.867464 where: bonds (distance) C4'-P energy: -133.265 bonds (distance) P-C4' energy: -131.820 flat angles C4'-P-C4' energy: -123.886 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3034.389276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.389276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.389276 (E_RNA) where: Base-Base interactions energy: -2118.639 where: short stacking energy: -918.718 Base-Backbone interact. energy: -2.903 local terms energy: -912.847086 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -175.328 flat angles C4'-P-C4' energy: -181.366 flat angles P-C4'-P energy: -137.148 tors. eta vs tors. theta energy: -269.652 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: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -2758.201489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.201489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.201489 (E_RNA) where: Base-Base interactions energy: -1879.334 where: short stacking energy: -865.032 Base-Backbone interact. energy: -5.458 local terms energy: -873.408728 where: bonds (distance) C4'-P energy: -151.655 bonds (distance) P-C4' energy: -153.433 flat angles C4'-P-C4' energy: -188.728 flat angles P-C4'-P energy: -126.884 tors. eta vs tors. theta energy: -252.708 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: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2739.985660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.985660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.985660 (E_RNA) where: Base-Base interactions energy: -1881.427 where: short stacking energy: -786.901 Base-Backbone interact. energy: -1.794 local terms energy: -856.765046 where: bonds (distance) C4'-P energy: -166.041 bonds (distance) P-C4' energy: -175.493 flat angles C4'-P-C4' energy: -168.251 flat angles P-C4'-P energy: -126.169 tors. eta vs tors. theta energy: -220.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2572.185383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.185383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.185383 (E_RNA) where: Base-Base interactions energy: -1755.942 where: short stacking energy: -781.570 Base-Backbone interact. energy: -0.779 local terms energy: -815.464937 where: bonds (distance) C4'-P energy: -151.995 bonds (distance) P-C4' energy: -154.350 flat angles C4'-P-C4' energy: -177.169 flat angles P-C4'-P energy: -113.227 tors. eta vs tors. theta energy: -218.724 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: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2340.546628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.546628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.546628 (E_RNA) where: Base-Base interactions energy: -1562.024 where: short stacking energy: -669.476 Base-Backbone interact. energy: -3.085 local terms energy: -775.436992 where: bonds (distance) C4'-P energy: -157.258 bonds (distance) P-C4' energy: -158.119 flat angles C4'-P-C4' energy: -172.568 flat angles P-C4'-P energy: -104.040 tors. eta vs tors. theta energy: -183.452 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: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2100.130048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.130048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.130048 (E_RNA) where: Base-Base interactions energy: -1426.193 where: short stacking energy: -604.880 Base-Backbone interact. energy: 2.165 local terms energy: -676.101517 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -159.671 flat angles C4'-P-C4' energy: -164.908 flat angles P-C4'-P energy: -88.122 tors. eta vs tors. theta energy: -126.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1944.332326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.332326 (E_RNA) where: Base-Base interactions energy: -1263.899 where: short stacking energy: -565.819 Base-Backbone interact. energy: -2.114 local terms energy: -678.319077 where: bonds (distance) C4'-P energy: -133.796 bonds (distance) P-C4' energy: -163.265 flat angles C4'-P-C4' energy: -154.600 flat angles P-C4'-P energy: -107.589 tors. eta vs tors. theta energy: -119.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1580.565744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.565744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.565744 (E_RNA) where: Base-Base interactions energy: -1016.029 where: short stacking energy: -486.909 Base-Backbone interact. energy: 10.210 local terms energy: -574.746694 where: bonds (distance) C4'-P energy: -109.296 bonds (distance) P-C4' energy: -158.848 flat angles C4'-P-C4' energy: -132.870 flat angles P-C4'-P energy: -86.194 tors. eta vs tors. theta energy: -87.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1442.291267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.291267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.291267 (E_RNA) where: Base-Base interactions energy: -905.940 where: short stacking energy: -445.035 Base-Backbone interact. energy: 5.674 local terms energy: -542.025761 where: bonds (distance) C4'-P energy: -116.610 bonds (distance) P-C4' energy: -128.190 flat angles C4'-P-C4' energy: -131.257 flat angles P-C4'-P energy: -92.376 tors. eta vs tors. theta energy: -73.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -890.270247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.270247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.270247 (E_RNA) where: Base-Base interactions energy: -480.787 where: short stacking energy: -261.479 Base-Backbone interact. energy: 5.253 local terms energy: -414.736765 where: bonds (distance) C4'-P energy: -126.213 bonds (distance) P-C4' energy: -120.417 flat angles C4'-P-C4' energy: -115.915 flat angles P-C4'-P energy: -58.500 tors. eta vs tors. theta energy: 6.308 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: 1 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3043.980411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.980411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.980411 (E_RNA) where: Base-Base interactions energy: -2136.588 where: short stacking energy: -911.399 Base-Backbone interact. energy: -1.047 local terms energy: -906.345446 where: bonds (distance) C4'-P energy: -172.824 bonds (distance) P-C4' energy: -170.224 flat angles C4'-P-C4' energy: -196.404 flat angles P-C4'-P energy: -115.706 tors. eta vs tors. theta energy: -251.187 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: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -2775.683786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.683786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.683786 (E_RNA) where: Base-Base interactions energy: -1915.234 where: short stacking energy: -868.240 Base-Backbone interact. energy: -0.639 local terms energy: -859.811634 where: bonds (distance) C4'-P energy: -170.223 bonds (distance) P-C4' energy: -164.908 flat angles C4'-P-C4' energy: -176.509 flat angles P-C4'-P energy: -112.979 tors. eta vs tors. theta energy: -235.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2743.403310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.403310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.403310 (E_RNA) where: Base-Base interactions energy: -1917.535 where: short stacking energy: -784.031 Base-Backbone interact. energy: -2.708 local terms energy: -823.159711 where: bonds (distance) C4'-P energy: -155.614 bonds (distance) P-C4' energy: -160.631 flat angles C4'-P-C4' energy: -170.614 flat angles P-C4'-P energy: -107.031 tors. eta vs tors. theta energy: -229.271 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: 3 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2578.900451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.900451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.900451 (E_RNA) where: Base-Base interactions energy: -1759.140 where: short stacking energy: -804.042 Base-Backbone interact. energy: -5.151 local terms energy: -814.609382 where: bonds (distance) C4'-P energy: -155.676 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -171.138 flat angles P-C4'-P energy: -108.718 tors. eta vs tors. theta energy: -222.715 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: 7 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2357.572670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.572670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.572670 (E_RNA) where: Base-Base interactions energy: -1580.089 where: short stacking energy: -686.498 Base-Backbone interact. energy: -3.349 local terms energy: -774.134711 where: bonds (distance) C4'-P energy: -166.863 bonds (distance) P-C4' energy: -138.666 flat angles C4'-P-C4' energy: -167.160 flat angles P-C4'-P energy: -127.103 tors. eta vs tors. theta energy: -174.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2162.114501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.114501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.114501 (E_RNA) where: Base-Base interactions energy: -1479.278 where: short stacking energy: -633.944 Base-Backbone interact. energy: -1.189 local terms energy: -681.647890 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -148.482 flat angles C4'-P-C4' energy: -153.880 flat angles P-C4'-P energy: -93.114 tors. eta vs tors. theta energy: -140.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -1942.473063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.473063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.473063 (E_RNA) where: Base-Base interactions energy: -1307.169 where: short stacking energy: -560.043 Base-Backbone interact. energy: 0.551 local terms energy: -635.855391 where: bonds (distance) C4'-P energy: -122.253 bonds (distance) P-C4' energy: -144.397 flat angles C4'-P-C4' energy: -141.742 flat angles P-C4'-P energy: -109.566 tors. eta vs tors. theta energy: -117.897 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: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1586.011021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.011021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.011021 (E_RNA) where: Base-Base interactions energy: -998.537 where: short stacking energy: -445.073 Base-Backbone interact. energy: 0.469 local terms energy: -587.943594 where: bonds (distance) C4'-P energy: -127.389 bonds (distance) P-C4' energy: -140.485 flat angles C4'-P-C4' energy: -146.746 flat angles P-C4'-P energy: -101.700 tors. eta vs tors. theta energy: -71.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1403.443557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.443557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.443557 (E_RNA) where: Base-Base interactions energy: -882.604 where: short stacking energy: -427.327 Base-Backbone interact. energy: 1.197 local terms energy: -522.036441 where: bonds (distance) C4'-P energy: -105.851 bonds (distance) P-C4' energy: -126.834 flat angles C4'-P-C4' energy: -154.040 flat angles P-C4'-P energy: -69.643 tors. eta vs tors. theta energy: -65.669 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: 6 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -953.605795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.605795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.605795 (E_RNA) where: Base-Base interactions energy: -522.951 where: short stacking energy: -270.374 Base-Backbone interact. energy: 3.883 local terms energy: -434.537435 where: bonds (distance) C4'-P energy: -110.886 bonds (distance) P-C4' energy: -151.307 flat angles C4'-P-C4' energy: -112.399 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: 20.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3016.029299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.029299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.029299 (E_RNA) where: Base-Base interactions energy: -2114.238 where: short stacking energy: -909.399 Base-Backbone interact. energy: -3.031 local terms energy: -898.759769 where: bonds (distance) C4'-P energy: -150.309 bonds (distance) P-C4' energy: -174.872 flat angles C4'-P-C4' energy: -191.183 flat angles P-C4'-P energy: -114.563 tors. eta vs tors. theta energy: -267.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -2828.294761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.294761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.294761 (E_RNA) where: Base-Base interactions energy: -1985.990 where: short stacking energy: -849.690 Base-Backbone interact. energy: -1.276 local terms energy: -841.029295 where: bonds (distance) C4'-P energy: -148.891 bonds (distance) P-C4' energy: -141.584 flat angles C4'-P-C4' energy: -190.833 flat angles P-C4'-P energy: -119.087 tors. eta vs tors. theta energy: -240.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2720.384432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.384432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.384432 (E_RNA) where: Base-Base interactions energy: -1875.512 where: short stacking energy: -832.562 Base-Backbone interact. energy: -2.633 local terms energy: -842.239673 where: bonds (distance) C4'-P energy: -161.153 bonds (distance) P-C4' energy: -157.192 flat angles C4'-P-C4' energy: -160.247 flat angles P-C4'-P energy: -117.325 tors. eta vs tors. theta energy: -246.322 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: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2588.450574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.450574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.450574 (E_RNA) where: Base-Base interactions energy: -1771.985 where: short stacking energy: -787.302 Base-Backbone interact. energy: -0.399 local terms energy: -816.066534 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -147.990 flat angles C4'-P-C4' energy: -182.172 flat angles P-C4'-P energy: -120.844 tors. eta vs tors. theta energy: -223.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2388.221675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.221675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.221675 (E_RNA) where: Base-Base interactions energy: -1652.650 where: short stacking energy: -698.662 Base-Backbone interact. energy: -3.846 local terms energy: -731.725770 where: bonds (distance) C4'-P energy: -138.292 bonds (distance) P-C4' energy: -157.433 flat angles C4'-P-C4' energy: -160.316 flat angles P-C4'-P energy: -100.072 tors. eta vs tors. theta energy: -175.612 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2129.779702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.779702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.779702 (E_RNA) where: Base-Base interactions energy: -1466.413 where: short stacking energy: -613.712 Base-Backbone interact. energy: -0.328 local terms energy: -663.038750 where: bonds (distance) C4'-P energy: -125.637 bonds (distance) P-C4' energy: -146.779 flat angles C4'-P-C4' energy: -157.342 flat angles P-C4'-P energy: -94.841 tors. eta vs tors. theta energy: -138.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2008.637861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.637861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.637861 (E_RNA) where: Base-Base interactions energy: -1346.947 where: short stacking energy: -611.525 Base-Backbone interact. energy: -0.358 local terms energy: -661.332955 where: bonds (distance) C4'-P energy: -144.583 bonds (distance) P-C4' energy: -135.687 flat angles C4'-P-C4' energy: -135.140 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -142.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1485.408121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.408121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.408121 (E_RNA) where: Base-Base interactions energy: -935.058 where: short stacking energy: -426.568 Base-Backbone interact. energy: -4.069 local terms energy: -546.280759 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -130.634 flat angles C4'-P-C4' energy: -143.024 flat angles P-C4'-P energy: -78.125 tors. eta vs tors. theta energy: -75.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1382.138562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.138562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.138562 (E_RNA) where: Base-Base interactions energy: -862.922 where: short stacking energy: -386.698 Base-Backbone interact. energy: -7.258 local terms energy: -511.957820 where: bonds (distance) C4'-P energy: -147.574 bonds (distance) P-C4' energy: -131.964 flat angles C4'-P-C4' energy: -119.806 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -46.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1009.585738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.585738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.585738 (E_RNA) where: Base-Base interactions energy: -566.274 where: short stacking energy: -297.017 Base-Backbone interact. energy: 5.004 local terms energy: -448.316137 where: bonds (distance) C4'-P energy: -128.885 bonds (distance) P-C4' energy: -125.225 flat angles C4'-P-C4' energy: -110.997 flat angles P-C4'-P energy: -67.646 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: 1 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3066.021126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.021126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.021126 (E_RNA) where: Base-Base interactions energy: -2145.520 where: short stacking energy: -929.515 Base-Backbone interact. energy: 0.684 local terms energy: -921.185209 where: bonds (distance) C4'-P energy: -163.427 bonds (distance) P-C4' energy: -170.083 flat angles C4'-P-C4' energy: -204.576 flat angles P-C4'-P energy: -121.637 tors. eta vs tors. theta energy: -261.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -2886.733631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.733631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.733631 (E_RNA) where: Base-Base interactions energy: -2026.359 where: short stacking energy: -853.877 Base-Backbone interact. energy: -4.696 local terms energy: -855.679216 where: bonds (distance) C4'-P energy: -158.243 bonds (distance) P-C4' energy: -152.888 flat angles C4'-P-C4' energy: -196.364 flat angles P-C4'-P energy: -120.648 tors. eta vs tors. theta energy: -227.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2725.423924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.423924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.423924 (E_RNA) where: Base-Base interactions energy: -1840.547 where: short stacking energy: -831.431 Base-Backbone interact. energy: -5.839 local terms energy: -879.038209 where: bonds (distance) C4'-P energy: -159.628 bonds (distance) P-C4' energy: -171.916 flat angles C4'-P-C4' energy: -182.813 flat angles P-C4'-P energy: -117.557 tors. eta vs tors. theta energy: -247.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2576.918828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.918828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.918828 (E_RNA) where: Base-Base interactions energy: -1776.776 where: short stacking energy: -783.961 Base-Backbone interact. energy: -0.483 local terms energy: -799.659058 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -148.179 flat angles C4'-P-C4' energy: -185.465 flat angles P-C4'-P energy: -111.840 tors. eta vs tors. theta energy: -220.975 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: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2395.009477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.009477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.009477 (E_RNA) where: Base-Base interactions energy: -1674.120 where: short stacking energy: -708.256 Base-Backbone interact. energy: -3.131 local terms energy: -717.758002 where: bonds (distance) C4'-P energy: -121.108 bonds (distance) P-C4' energy: -145.750 flat angles C4'-P-C4' energy: -165.818 flat angles P-C4'-P energy: -111.981 tors. eta vs tors. theta energy: -173.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2156.476634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.476634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.476634 (E_RNA) where: Base-Base interactions energy: -1466.332 where: short stacking energy: -633.650 Base-Backbone interact. energy: -2.236 local terms energy: -687.908729 where: bonds (distance) C4'-P energy: -144.227 bonds (distance) P-C4' energy: -146.975 flat angles C4'-P-C4' energy: -156.195 flat angles P-C4'-P energy: -103.818 tors. eta vs tors. theta energy: -136.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1998.672399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.672399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.672399 (E_RNA) where: Base-Base interactions energy: -1346.101 where: short stacking energy: -601.725 Base-Backbone interact. energy: 12.047 local terms energy: -664.618991 where: bonds (distance) C4'-P energy: -140.816 bonds (distance) P-C4' energy: -145.205 flat angles C4'-P-C4' energy: -156.162 flat angles P-C4'-P energy: -92.009 tors. eta vs tors. theta energy: -130.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1633.895880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.895880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.895880 (E_RNA) where: Base-Base interactions energy: -1057.123 where: short stacking energy: -497.650 Base-Backbone interact. energy: 8.077 local terms energy: -584.849878 where: bonds (distance) C4'-P energy: -140.273 bonds (distance) P-C4' energy: -134.438 flat angles C4'-P-C4' energy: -127.750 flat angles P-C4'-P energy: -85.342 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1410.010419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.010419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.010419 (E_RNA) where: Base-Base interactions energy: -871.075 where: short stacking energy: -413.520 Base-Backbone interact. energy: 0.849 local terms energy: -539.783842 where: bonds (distance) C4'-P energy: -130.586 bonds (distance) P-C4' energy: -147.000 flat angles C4'-P-C4' energy: -117.107 flat angles P-C4'-P energy: -76.648 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: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1056.540311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.540311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.540311 (E_RNA) where: Base-Base interactions energy: -574.447 where: short stacking energy: -320.866 Base-Backbone interact. energy: 0.611 local terms energy: -482.704100 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -140.617 flat angles C4'-P-C4' energy: -108.614 flat angles P-C4'-P energy: -70.811 tors. eta vs tors. theta energy: -20.062 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: 237 Temperature: 0.900000 Total energy: -3058.368936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.368936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.368936 (E_RNA) where: Base-Base interactions energy: -2123.949 where: short stacking energy: -916.202 Base-Backbone interact. energy: -0.215 local terms energy: -934.204881 where: bonds (distance) C4'-P energy: -175.368 bonds (distance) P-C4' energy: -168.911 flat angles C4'-P-C4' energy: -194.857 flat angles P-C4'-P energy: -136.849 tors. eta vs tors. theta energy: -258.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -2893.384027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.384027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.384027 (E_RNA) where: Base-Base interactions energy: -1991.009 where: short stacking energy: -864.249 Base-Backbone interact. energy: -1.942 local terms energy: -900.432953 where: bonds (distance) C4'-P energy: -173.290 bonds (distance) P-C4' energy: -180.463 flat angles C4'-P-C4' energy: -191.920 flat angles P-C4'-P energy: -114.142 tors. eta vs tors. theta energy: -240.617 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: 5 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2723.620609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.620609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.620609 (E_RNA) where: Base-Base interactions energy: -1873.587 where: short stacking energy: -841.567 Base-Backbone interact. energy: -2.825 local terms energy: -847.209213 where: bonds (distance) C4'-P energy: -151.075 bonds (distance) P-C4' energy: -155.534 flat angles C4'-P-C4' energy: -199.347 flat angles P-C4'-P energy: -105.762 tors. eta vs tors. theta energy: -235.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2599.526154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.526154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.526154 (E_RNA) where: Base-Base interactions energy: -1788.859 where: short stacking energy: -783.880 Base-Backbone interact. energy: -3.184 local terms energy: -807.483610 where: bonds (distance) C4'-P energy: -150.889 bonds (distance) P-C4' energy: -143.038 flat angles C4'-P-C4' energy: -174.229 flat angles P-C4'-P energy: -112.287 tors. eta vs tors. theta energy: -227.040 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: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2368.872031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.872031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.872031 (E_RNA) where: Base-Base interactions energy: -1613.444 where: short stacking energy: -703.646 Base-Backbone interact. energy: -1.834 local terms energy: -753.594186 where: bonds (distance) C4'-P energy: -120.402 bonds (distance) P-C4' energy: -157.150 flat angles C4'-P-C4' energy: -171.065 flat angles P-C4'-P energy: -111.871 tors. eta vs tors. theta energy: -193.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2128.707517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.707517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.707517 (E_RNA) where: Base-Base interactions energy: -1451.987 where: short stacking energy: -612.549 Base-Backbone interact. energy: -2.558 local terms energy: -674.162666 where: bonds (distance) C4'-P energy: -144.553 bonds (distance) P-C4' energy: -142.348 flat angles C4'-P-C4' energy: -160.157 flat angles P-C4'-P energy: -94.593 tors. eta vs tors. theta energy: -132.511 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: 2 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1991.881572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.881572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.881572 (E_RNA) where: Base-Base interactions energy: -1372.933 where: short stacking energy: -594.750 Base-Backbone interact. energy: -2.070 local terms energy: -616.878031 where: bonds (distance) C4'-P energy: -133.654 bonds (distance) P-C4' energy: -120.878 flat angles C4'-P-C4' energy: -145.809 flat angles P-C4'-P energy: -80.973 tors. eta vs tors. theta energy: -135.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1663.295789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.295789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.295789 (E_RNA) where: Base-Base interactions energy: -1078.649 where: short stacking energy: -465.004 Base-Backbone interact. energy: 0.779 local terms energy: -585.426379 where: bonds (distance) C4'-P energy: -123.780 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -121.352 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -95.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1328.542227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.542227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.542227 (E_RNA) where: Base-Base interactions energy: -800.308 where: short stacking energy: -383.225 Base-Backbone interact. energy: 4.112 local terms energy: -532.346677 where: bonds (distance) C4'-P energy: -130.772 bonds (distance) P-C4' energy: -145.742 flat angles C4'-P-C4' energy: -131.949 flat angles P-C4'-P energy: -79.963 tors. eta vs tors. theta energy: -43.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1023.515828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.515828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.515828 (E_RNA) where: Base-Base interactions energy: -560.037 where: short stacking energy: -272.175 Base-Backbone interact. energy: 2.434 local terms energy: -465.913111 where: bonds (distance) C4'-P energy: -145.001 bonds (distance) P-C4' energy: -127.837 flat angles C4'-P-C4' energy: -122.942 flat angles P-C4'-P energy: -61.136 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3039.627299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.627299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.627299 (E_RNA) where: Base-Base interactions energy: -2128.524 where: short stacking energy: -909.054 Base-Backbone interact. energy: -3.304 local terms energy: -907.799184 where: bonds (distance) C4'-P energy: -176.754 bonds (distance) P-C4' energy: -168.270 flat angles C4'-P-C4' energy: -177.195 flat angles P-C4'-P energy: -128.954 tors. eta vs tors. theta energy: -256.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -2853.708467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.708467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.708467 (E_RNA) where: Base-Base interactions energy: -1993.662 where: short stacking energy: -842.623 Base-Backbone interact. energy: -3.204 local terms energy: -856.842552 where: bonds (distance) C4'-P energy: -153.599 bonds (distance) P-C4' energy: -165.552 flat angles C4'-P-C4' energy: -187.035 flat angles P-C4'-P energy: -126.224 tors. eta vs tors. theta energy: -224.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2678.197717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.197717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.197717 (E_RNA) where: Base-Base interactions energy: -1844.627 where: short stacking energy: -822.798 Base-Backbone interact. energy: -3.816 local terms energy: -829.754567 where: bonds (distance) C4'-P energy: -158.003 bonds (distance) P-C4' energy: -144.998 flat angles C4'-P-C4' energy: -188.427 flat angles P-C4'-P energy: -117.197 tors. eta vs tors. theta energy: -221.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2600.191961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2600.191961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2600.191961 (E_RNA) where: Base-Base interactions energy: -1766.389 where: short stacking energy: -763.731 Base-Backbone interact. energy: -2.033 local terms energy: -831.769783 where: bonds (distance) C4'-P energy: -149.524 bonds (distance) P-C4' energy: -164.814 flat angles C4'-P-C4' energy: -174.258 flat angles P-C4'-P energy: -117.687 tors. eta vs tors. theta energy: -225.488 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: 7 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2443.054574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.054574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.054574 (E_RNA) where: Base-Base interactions energy: -1664.395 where: short stacking energy: -718.341 Base-Backbone interact. energy: 2.527 local terms energy: -781.186666 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -151.915 flat angles C4'-P-C4' energy: -171.251 flat angles P-C4'-P energy: -123.323 tors. eta vs tors. theta energy: -186.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2167.660474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.660474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.660474 (E_RNA) where: Base-Base interactions energy: -1485.403 where: short stacking energy: -636.903 Base-Backbone interact. energy: 4.904 local terms energy: -687.161235 where: bonds (distance) C4'-P energy: -145.270 bonds (distance) P-C4' energy: -140.476 flat angles C4'-P-C4' energy: -165.911 flat angles P-C4'-P energy: -97.042 tors. eta vs tors. theta energy: -138.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2050.598769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.598769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.598769 (E_RNA) where: Base-Base interactions energy: -1382.053 where: short stacking energy: -582.662 Base-Backbone interact. energy: -1.553 local terms energy: -666.992230 where: bonds (distance) C4'-P energy: -130.161 bonds (distance) P-C4' energy: -141.920 flat angles C4'-P-C4' energy: -150.727 flat angles P-C4'-P energy: -103.696 tors. eta vs tors. theta energy: -140.489 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: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1610.198895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.198895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.198895 (E_RNA) where: Base-Base interactions energy: -1033.835 where: short stacking energy: -465.906 Base-Backbone interact. energy: -1.139 local terms energy: -575.225173 where: bonds (distance) C4'-P energy: -136.954 bonds (distance) P-C4' energy: -143.770 flat angles C4'-P-C4' energy: -144.927 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -77.045 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: 8 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1348.355285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.355285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.355285 (E_RNA) where: Base-Base interactions energy: -815.394 where: short stacking energy: -389.836 Base-Backbone interact. energy: -7.538 local terms energy: -525.423055 where: bonds (distance) C4'-P energy: -130.512 bonds (distance) P-C4' energy: -152.027 flat angles C4'-P-C4' energy: -125.854 flat angles P-C4'-P energy: -70.610 tors. eta vs tors. theta energy: -46.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1031.728864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.728864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.728864 (E_RNA) where: Base-Base interactions energy: -584.398 where: short stacking energy: -307.805 Base-Backbone interact. energy: 3.394 local terms energy: -450.724846 where: bonds (distance) C4'-P energy: -130.766 bonds (distance) P-C4' energy: -132.278 flat angles C4'-P-C4' energy: -110.978 flat angles P-C4'-P energy: -70.230 tors. eta vs tors. theta energy: -6.474 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: 1 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3028.115008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.115008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.115008 (E_RNA) where: Base-Base interactions energy: -2092.310 where: short stacking energy: -890.756 Base-Backbone interact. energy: -1.272 local terms energy: -934.532855 where: bonds (distance) C4'-P energy: -168.756 bonds (distance) P-C4' energy: -176.876 flat angles C4'-P-C4' energy: -196.504 flat angles P-C4'-P energy: -136.021 tors. eta vs tors. theta energy: -256.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -2841.265613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.265613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.265613 (E_RNA) where: Base-Base interactions energy: -1985.075 where: short stacking energy: -851.609 Base-Backbone interact. energy: -0.219 local terms energy: -855.971608 where: bonds (distance) C4'-P energy: -163.618 bonds (distance) P-C4' energy: -153.037 flat angles C4'-P-C4' energy: -178.727 flat angles P-C4'-P energy: -130.207 tors. eta vs tors. theta energy: -230.383 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: 5 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2693.378698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.378698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.378698 (E_RNA) where: Base-Base interactions energy: -1849.454 where: short stacking energy: -810.378 Base-Backbone interact. energy: -2.436 local terms energy: -841.488693 where: bonds (distance) C4'-P energy: -149.441 bonds (distance) P-C4' energy: -158.326 flat angles C4'-P-C4' energy: -177.623 flat angles P-C4'-P energy: -115.748 tors. eta vs tors. theta energy: -240.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2629.872315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.872315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.872315 (E_RNA) where: Base-Base interactions energy: -1793.545 where: short stacking energy: -771.332 Base-Backbone interact. energy: -2.518 local terms energy: -833.809319 where: bonds (distance) C4'-P energy: -169.824 bonds (distance) P-C4' energy: -171.052 flat angles C4'-P-C4' energy: -173.243 flat angles P-C4'-P energy: -100.615 tors. eta vs tors. theta energy: -219.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2384.280647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.280647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.280647 (E_RNA) where: Base-Base interactions energy: -1646.990 where: short stacking energy: -693.993 Base-Backbone interact. energy: -1.766 local terms energy: -735.524886 where: bonds (distance) C4'-P energy: -133.492 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -166.432 flat angles P-C4'-P energy: -100.942 tors. eta vs tors. theta energy: -175.294 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: 9 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2221.542616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.542616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.542616 (E_RNA) where: Base-Base interactions energy: -1538.727 where: short stacking energy: -670.484 Base-Backbone interact. energy: 1.434 local terms energy: -684.250113 where: bonds (distance) C4'-P energy: -151.771 bonds (distance) P-C4' energy: -139.286 flat angles C4'-P-C4' energy: -161.852 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -150.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2032.821441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.821441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.821441 (E_RNA) where: Base-Base interactions energy: -1365.202 where: short stacking energy: -609.859 Base-Backbone interact. energy: 1.933 local terms energy: -669.552779 where: bonds (distance) C4'-P energy: -130.320 bonds (distance) P-C4' energy: -154.723 flat angles C4'-P-C4' energy: -146.811 flat angles P-C4'-P energy: -101.514 tors. eta vs tors. theta energy: -136.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1612.304335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.304335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.304335 (E_RNA) where: Base-Base interactions energy: -1039.825 where: short stacking energy: -497.103 Base-Backbone interact. energy: 0.261 local terms energy: -572.739966 where: bonds (distance) C4'-P energy: -112.862 bonds (distance) P-C4' energy: -133.860 flat angles C4'-P-C4' energy: -138.394 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -102.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1319.336037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.336037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.336037 (E_RNA) where: Base-Base interactions energy: -821.034 where: short stacking energy: -382.648 Base-Backbone interact. energy: -2.704 local terms energy: -495.598963 where: bonds (distance) C4'-P energy: -135.125 bonds (distance) P-C4' energy: -139.919 flat angles C4'-P-C4' energy: -115.980 flat angles P-C4'-P energy: -54.765 tors. eta vs tors. theta energy: -49.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1040.906436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.906436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.906436 (E_RNA) where: Base-Base interactions energy: -600.893 where: short stacking energy: -296.369 Base-Backbone interact. energy: 5.037 local terms energy: -445.050292 where: bonds (distance) C4'-P energy: -116.586 bonds (distance) P-C4' energy: -144.301 flat angles C4'-P-C4' energy: -119.162 flat angles P-C4'-P energy: -51.888 tors. eta vs tors. theta energy: -13.114 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: 1 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3016.873296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.873296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.873296 (E_RNA) where: Base-Base interactions energy: -2124.304 where: short stacking energy: -917.661 Base-Backbone interact. energy: -1.088 local terms energy: -891.481552 where: bonds (distance) C4'-P energy: -156.681 bonds (distance) P-C4' energy: -159.641 flat angles C4'-P-C4' energy: -186.048 flat angles P-C4'-P energy: -135.569 tors. eta vs tors. theta energy: -253.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -2824.258915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.258915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.258915 (E_RNA) where: Base-Base interactions energy: -1985.065 where: short stacking energy: -818.026 Base-Backbone interact. energy: -3.293 local terms energy: -835.900690 where: bonds (distance) C4'-P energy: -153.578 bonds (distance) P-C4' energy: -149.387 flat angles C4'-P-C4' energy: -180.773 flat angles P-C4'-P energy: -108.498 tors. eta vs tors. theta energy: -243.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2735.433985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.433985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.433985 (E_RNA) where: Base-Base interactions energy: -1862.453 where: short stacking energy: -841.270 Base-Backbone interact. energy: -0.406 local terms energy: -872.574143 where: bonds (distance) C4'-P energy: -164.993 bonds (distance) P-C4' energy: -161.028 flat angles C4'-P-C4' energy: -179.153 flat angles P-C4'-P energy: -123.234 tors. eta vs tors. theta energy: -244.166 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: 3 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2646.937023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.937023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.937023 (E_RNA) where: Base-Base interactions energy: -1812.779 where: short stacking energy: -814.222 Base-Backbone interact. energy: -1.919 local terms energy: -832.239213 where: bonds (distance) C4'-P energy: -151.722 bonds (distance) P-C4' energy: -155.441 flat angles C4'-P-C4' energy: -188.107 flat angles P-C4'-P energy: -108.684 tors. eta vs tors. theta energy: -228.285 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: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2432.308383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.308383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.308383 (E_RNA) where: Base-Base interactions energy: -1675.859 where: short stacking energy: -685.579 Base-Backbone interact. energy: 4.058 local terms energy: -760.508000 where: bonds (distance) C4'-P energy: -152.447 bonds (distance) P-C4' energy: -156.745 flat angles C4'-P-C4' energy: -156.579 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -192.584 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: 9 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2187.907726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.907726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.907726 (E_RNA) where: Base-Base interactions energy: -1550.727 where: short stacking energy: -635.370 Base-Backbone interact. energy: 0.618 local terms energy: -637.798549 where: bonds (distance) C4'-P energy: -123.041 bonds (distance) P-C4' energy: -146.574 flat angles C4'-P-C4' energy: -150.267 flat angles P-C4'-P energy: -89.292 tors. eta vs tors. theta energy: -128.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2130.388690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.388690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.388690 (E_RNA) where: Base-Base interactions energy: -1443.252 where: short stacking energy: -638.691 Base-Backbone interact. energy: -1.660 local terms energy: -685.476121 where: bonds (distance) C4'-P energy: -143.111 bonds (distance) P-C4' energy: -143.907 flat angles C4'-P-C4' energy: -150.963 flat angles P-C4'-P energy: -96.144 tors. eta vs tors. theta energy: -151.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1562.596531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.596531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.596531 (E_RNA) where: Base-Base interactions energy: -1006.194 where: short stacking energy: -473.045 Base-Backbone interact. energy: 3.846 local terms energy: -560.248306 where: bonds (distance) C4'-P energy: -120.487 bonds (distance) P-C4' energy: -127.427 flat angles C4'-P-C4' energy: -140.820 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -87.956 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: 9, replica: 8 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1415.646739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.646739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.646739 (E_RNA) where: Base-Base interactions energy: -875.162 where: short stacking energy: -400.112 Base-Backbone interact. energy: 0.129 local terms energy: -540.613690 where: bonds (distance) C4'-P energy: -105.775 bonds (distance) P-C4' energy: -136.915 flat angles C4'-P-C4' energy: -144.241 flat angles P-C4'-P energy: -81.337 tors. eta vs tors. theta energy: -72.347 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: 6 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1009.051684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.051684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.051684 (E_RNA) where: Base-Base interactions energy: -519.550 where: short stacking energy: -301.199 Base-Backbone interact. energy: 1.390 local terms energy: -490.891547 where: bonds (distance) C4'-P energy: -154.634 bonds (distance) P-C4' energy: -144.982 flat angles C4'-P-C4' energy: -127.895 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3030.150104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.150104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.150104 (E_RNA) where: Base-Base interactions energy: -2106.107 where: short stacking energy: -921.370 Base-Backbone interact. energy: -2.163 local terms energy: -921.879773 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -171.994 flat angles C4'-P-C4' energy: -202.619 flat angles P-C4'-P energy: -125.608 tors. eta vs tors. theta energy: -260.053 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: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -2831.601944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.601944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.601944 (E_RNA) where: Base-Base interactions energy: -1954.122 where: short stacking energy: -837.708 Base-Backbone interact. energy: -3.616 local terms energy: -873.864538 where: bonds (distance) C4'-P energy: -145.835 bonds (distance) P-C4' energy: -174.004 flat angles C4'-P-C4' energy: -188.673 flat angles P-C4'-P energy: -134.996 tors. eta vs tors. theta energy: -230.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2695.616712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.616712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.616712 (E_RNA) where: Base-Base interactions energy: -1847.231 where: short stacking energy: -814.830 Base-Backbone interact. energy: -1.530 local terms energy: -846.855114 where: bonds (distance) C4'-P energy: -168.611 bonds (distance) P-C4' energy: -156.958 flat angles C4'-P-C4' energy: -183.178 flat angles P-C4'-P energy: -108.723 tors. eta vs tors. theta energy: -229.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2598.226034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.226034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.226034 (E_RNA) where: Base-Base interactions energy: -1800.640 where: short stacking energy: -770.329 Base-Backbone interact. energy: -2.614 local terms energy: -794.972433 where: bonds (distance) C4'-P energy: -143.511 bonds (distance) P-C4' energy: -144.481 flat angles C4'-P-C4' energy: -181.657 flat angles P-C4'-P energy: -119.442 tors. eta vs tors. theta energy: -205.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2448.268872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.268872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.268872 (E_RNA) where: Base-Base interactions energy: -1703.161 where: short stacking energy: -685.965 Base-Backbone interact. energy: 0.357 local terms energy: -745.465583 where: bonds (distance) C4'-P energy: -144.872 bonds (distance) P-C4' energy: -173.245 flat angles C4'-P-C4' energy: -152.284 flat angles P-C4'-P energy: -102.672 tors. eta vs tors. theta energy: -172.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2186.320933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.320933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.320933 (E_RNA) where: Base-Base interactions energy: -1493.516 where: short stacking energy: -627.999 Base-Backbone interact. energy: -0.301 local terms energy: -692.503383 where: bonds (distance) C4'-P energy: -124.293 bonds (distance) P-C4' energy: -141.225 flat angles C4'-P-C4' energy: -164.935 flat angles P-C4'-P energy: -104.358 tors. eta vs tors. theta energy: -157.693 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: 9 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2072.661478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.661478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.661478 (E_RNA) where: Base-Base interactions energy: -1429.117 where: short stacking energy: -580.318 Base-Backbone interact. energy: 8.295 local terms energy: -651.838909 where: bonds (distance) C4'-P energy: -164.337 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -155.489 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -120.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1646.245232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.245232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.245232 (E_RNA) where: Base-Base interactions energy: -1058.452 where: short stacking energy: -501.973 Base-Backbone interact. energy: 0.507 local terms energy: -588.299555 where: bonds (distance) C4'-P energy: -118.690 bonds (distance) P-C4' energy: -141.716 flat angles C4'-P-C4' energy: -140.397 flat angles P-C4'-P energy: -93.686 tors. eta vs tors. theta energy: -93.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1318.930900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.930900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.930900 (E_RNA) where: Base-Base interactions energy: -809.778 where: short stacking energy: -386.321 Base-Backbone interact. energy: 0.406 local terms energy: -509.558904 where: bonds (distance) C4'-P energy: -112.492 bonds (distance) P-C4' energy: -144.486 flat angles C4'-P-C4' energy: -129.586 flat angles P-C4'-P energy: -89.330 tors. eta vs tors. theta energy: -33.665 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: 6 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1039.664970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.664970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.664970 (E_RNA) where: Base-Base interactions energy: -576.627 where: short stacking energy: -289.951 Base-Backbone interact. energy: -1.044 local terms energy: -461.993687 where: bonds (distance) C4'-P energy: -120.919 bonds (distance) P-C4' energy: -141.807 flat angles C4'-P-C4' energy: -116.799 flat angles P-C4'-P energy: -71.464 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3023.623800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.623800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.623800 (E_RNA) where: Base-Base interactions energy: -2127.122 where: short stacking energy: -923.715 Base-Backbone interact. energy: 2.496 local terms energy: -898.998134 where: bonds (distance) C4'-P energy: -152.430 bonds (distance) P-C4' energy: -158.503 flat angles C4'-P-C4' energy: -198.326 flat angles P-C4'-P energy: -123.346 tors. eta vs tors. theta energy: -266.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -2841.385884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.385884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.385884 (E_RNA) where: Base-Base interactions energy: -1963.649 where: short stacking energy: -808.168 Base-Backbone interact. energy: -2.419 local terms energy: -875.317350 where: bonds (distance) C4'-P energy: -166.498 bonds (distance) P-C4' energy: -163.820 flat angles C4'-P-C4' energy: -188.079 flat angles P-C4'-P energy: -123.660 tors. eta vs tors. theta energy: -233.259 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: 5 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2709.430450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.430450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.430450 (E_RNA) where: Base-Base interactions energy: -1851.530 where: short stacking energy: -860.179 Base-Backbone interact. energy: -3.093 local terms energy: -854.808067 where: bonds (distance) C4'-P energy: -153.349 bonds (distance) P-C4' energy: -171.866 flat angles C4'-P-C4' energy: -186.655 flat angles P-C4'-P energy: -102.311 tors. eta vs tors. theta energy: -240.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2598.923036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.923036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.923036 (E_RNA) where: Base-Base interactions energy: -1816.038 where: short stacking energy: -790.455 Base-Backbone interact. energy: -4.832 local terms energy: -778.052408 where: bonds (distance) C4'-P energy: -143.362 bonds (distance) P-C4' energy: -144.174 flat angles C4'-P-C4' energy: -170.990 flat angles P-C4'-P energy: -109.054 tors. eta vs tors. theta energy: -210.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2467.311722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.311722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.311722 (E_RNA) where: Base-Base interactions energy: -1717.689 where: short stacking energy: -737.573 Base-Backbone interact. energy: 0.928 local terms energy: -750.550587 where: bonds (distance) C4'-P energy: -131.985 bonds (distance) P-C4' energy: -142.654 flat angles C4'-P-C4' energy: -158.507 flat angles P-C4'-P energy: -112.898 tors. eta vs tors. theta energy: -204.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2223.966081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.966081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.966081 (E_RNA) where: Base-Base interactions energy: -1520.052 where: short stacking energy: -705.908 Base-Backbone interact. energy: -2.233 local terms energy: -701.681213 where: bonds (distance) C4'-P energy: -129.469 bonds (distance) P-C4' energy: -137.378 flat angles C4'-P-C4' energy: -163.147 flat angles P-C4'-P energy: -86.288 tors. eta vs tors. theta energy: -185.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2090.261168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.261168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.261168 (E_RNA) where: Base-Base interactions energy: -1386.309 where: short stacking energy: -607.378 Base-Backbone interact. energy: 1.128 local terms energy: -705.080196 where: bonds (distance) C4'-P energy: -143.263 bonds (distance) P-C4' energy: -139.201 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -121.823 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: 8, replica: 4 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1615.864633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.864633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.864633 (E_RNA) where: Base-Base interactions energy: -1044.338 where: short stacking energy: -469.289 Base-Backbone interact. energy: 9.984 local terms energy: -581.511260 where: bonds (distance) C4'-P energy: -108.616 bonds (distance) P-C4' energy: -158.164 flat angles C4'-P-C4' energy: -147.850 flat angles P-C4'-P energy: -73.898 tors. eta vs tors. theta energy: -92.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1373.074598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.074598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.074598 (E_RNA) where: Base-Base interactions energy: -844.990 where: short stacking energy: -382.692 Base-Backbone interact. energy: -4.665 local terms energy: -523.418859 where: bonds (distance) C4'-P energy: -152.286 bonds (distance) P-C4' energy: -107.727 flat angles C4'-P-C4' energy: -127.072 flat angles P-C4'-P energy: -90.711 tors. eta vs tors. theta energy: -45.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1013.493804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.493804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.493804 (E_RNA) where: Base-Base interactions energy: -543.842 where: short stacking energy: -276.872 Base-Backbone interact. energy: 2.358 local terms energy: -472.010332 where: bonds (distance) C4'-P energy: -125.623 bonds (distance) P-C4' energy: -129.005 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -80.978 tors. eta vs tors. theta energy: -20.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3043.907334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.907334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.907334 (E_RNA) where: Base-Base interactions energy: -2122.527 where: short stacking energy: -921.737 Base-Backbone interact. energy: -0.908 local terms energy: -920.472414 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -184.805 flat angles C4'-P-C4' energy: -196.746 flat angles P-C4'-P energy: -125.411 tors. eta vs tors. theta energy: -269.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -2855.594651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.594651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.594651 (E_RNA) where: Base-Base interactions energy: -1992.476 where: short stacking energy: -854.517 Base-Backbone interact. energy: -1.095 local terms energy: -862.023421 where: bonds (distance) C4'-P energy: -161.363 bonds (distance) P-C4' energy: -140.993 flat angles C4'-P-C4' energy: -185.153 flat angles P-C4'-P energy: -123.364 tors. eta vs tors. theta energy: -251.150 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: 5 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2692.077214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.077214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.077214 (E_RNA) where: Base-Base interactions energy: -1848.275 where: short stacking energy: -832.903 Base-Backbone interact. energy: -1.182 local terms energy: -842.620575 where: bonds (distance) C4'-P energy: -138.814 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -174.262 flat angles P-C4'-P energy: -121.133 tors. eta vs tors. theta energy: -246.354 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: 3 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2629.782713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.782713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.782713 (E_RNA) where: Base-Base interactions energy: -1794.719 where: short stacking energy: -769.956 Base-Backbone interact. energy: -3.706 local terms energy: -831.357908 where: bonds (distance) C4'-P energy: -153.528 bonds (distance) P-C4' energy: -156.951 flat angles C4'-P-C4' energy: -175.629 flat angles P-C4'-P energy: -131.734 tors. eta vs tors. theta energy: -213.516 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: 5, replica: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2479.232166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.232166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.232166 (E_RNA) where: Base-Base interactions energy: -1722.013 where: short stacking energy: -711.766 Base-Backbone interact. energy: -1.497 local terms energy: -755.722487 where: bonds (distance) C4'-P energy: -135.209 bonds (distance) P-C4' energy: -152.775 flat angles C4'-P-C4' energy: -164.286 flat angles P-C4'-P energy: -118.401 tors. eta vs tors. theta energy: -185.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2243.479997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.479997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.479997 (E_RNA) where: Base-Base interactions energy: -1532.192 where: short stacking energy: -670.527 Base-Backbone interact. energy: -0.589 local terms energy: -710.699324 where: bonds (distance) C4'-P energy: -158.481 bonds (distance) P-C4' energy: -137.591 flat angles C4'-P-C4' energy: -153.602 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -165.898 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: 9 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2015.843382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.843382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.843382 (E_RNA) where: Base-Base interactions energy: -1365.319 where: short stacking energy: -562.377 Base-Backbone interact. energy: -2.089 local terms energy: -648.435956 where: bonds (distance) C4'-P energy: -131.685 bonds (distance) P-C4' energy: -137.890 flat angles C4'-P-C4' energy: -156.315 flat angles P-C4'-P energy: -94.861 tors. eta vs tors. theta energy: -127.685 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: 243 Temperature: 1.250000 Total energy: -1536.991379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.991379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.991379 (E_RNA) where: Base-Base interactions energy: -999.923 where: short stacking energy: -475.949 Base-Backbone interact. energy: 3.930 local terms energy: -540.998294 where: bonds (distance) C4'-P energy: -126.363 bonds (distance) P-C4' energy: -122.379 flat angles C4'-P-C4' energy: -139.918 flat angles P-C4'-P energy: -69.159 tors. eta vs tors. theta energy: -83.179 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: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1324.871363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.871363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.871363 (E_RNA) where: Base-Base interactions energy: -819.979 where: short stacking energy: -383.095 Base-Backbone interact. energy: -0.480 local terms energy: -504.412892 where: bonds (distance) C4'-P energy: -135.332 bonds (distance) P-C4' energy: -115.386 flat angles C4'-P-C4' energy: -135.955 flat angles P-C4'-P energy: -74.748 tors. eta vs tors. theta energy: -42.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1007.173484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.173484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.173484 (E_RNA) where: Base-Base interactions energy: -567.141 where: short stacking energy: -280.662 Base-Backbone interact. energy: -3.433 local terms energy: -436.599814 where: bonds (distance) C4'-P energy: -146.667 bonds (distance) P-C4' energy: -120.611 flat angles C4'-P-C4' energy: -100.264 flat angles P-C4'-P energy: -68.087 tors. eta vs tors. theta energy: -0.970 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: 1, replica: 1 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3070.220085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.220085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.220085 (E_RNA) where: Base-Base interactions energy: -2133.620 where: short stacking energy: -924.801 Base-Backbone interact. energy: -0.690 local terms energy: -935.909352 where: bonds (distance) C4'-P energy: -162.352 bonds (distance) P-C4' energy: -169.344 flat angles C4'-P-C4' energy: -193.709 flat angles P-C4'-P energy: -143.089 tors. eta vs tors. theta energy: -267.415 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: 10 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -2877.434181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.434181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.434181 (E_RNA) where: Base-Base interactions energy: -1988.130 where: short stacking energy: -861.173 Base-Backbone interact. energy: -2.050 local terms energy: -887.254240 where: bonds (distance) C4'-P energy: -156.825 bonds (distance) P-C4' energy: -162.011 flat angles C4'-P-C4' energy: -197.649 flat angles P-C4'-P energy: -126.195 tors. eta vs tors. theta energy: -244.574 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: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2685.925978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.925978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.925978 (E_RNA) where: Base-Base interactions energy: -1856.222 where: short stacking energy: -817.032 Base-Backbone interact. energy: -4.588 local terms energy: -825.116357 where: bonds (distance) C4'-P energy: -161.983 bonds (distance) P-C4' energy: -147.214 flat angles C4'-P-C4' energy: -163.410 flat angles P-C4'-P energy: -107.586 tors. eta vs tors. theta energy: -244.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2676.667007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.667007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.667007 (E_RNA) where: Base-Base interactions energy: -1836.912 where: short stacking energy: -814.387 Base-Backbone interact. energy: -1.783 local terms energy: -837.972230 where: bonds (distance) C4'-P energy: -147.146 bonds (distance) P-C4' energy: -153.192 flat angles C4'-P-C4' energy: -184.280 flat angles P-C4'-P energy: -112.552 tors. eta vs tors. theta energy: -240.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2452.352334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.352334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.352334 (E_RNA) where: Base-Base interactions energy: -1713.448 where: short stacking energy: -736.521 Base-Backbone interact. energy: -2.156 local terms energy: -736.748973 where: bonds (distance) C4'-P energy: -139.925 bonds (distance) P-C4' energy: -149.804 flat angles C4'-P-C4' energy: -166.916 flat angles P-C4'-P energy: -103.633 tors. eta vs tors. theta energy: -176.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2281.121724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.121724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.121724 (E_RNA) where: Base-Base interactions energy: -1580.359 where: short stacking energy: -697.027 Base-Backbone interact. energy: 8.381 local terms energy: -709.143347 where: bonds (distance) C4'-P energy: -130.577 bonds (distance) P-C4' energy: -149.426 flat angles C4'-P-C4' energy: -151.039 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -177.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2025.740505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.740505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.740505 (E_RNA) where: Base-Base interactions energy: -1369.518 where: short stacking energy: -576.607 Base-Backbone interact. energy: -0.144 local terms energy: -656.078807 where: bonds (distance) C4'-P energy: -134.335 bonds (distance) P-C4' energy: -139.310 flat angles C4'-P-C4' energy: -170.688 flat angles P-C4'-P energy: -80.241 tors. eta vs tors. theta energy: -131.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1678.443097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.443097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.443097 (E_RNA) where: Base-Base interactions energy: -1080.614 where: short stacking energy: -478.452 Base-Backbone interact. energy: -0.533 local terms energy: -597.296306 where: bonds (distance) C4'-P energy: -142.971 bonds (distance) P-C4' energy: -139.098 flat angles C4'-P-C4' energy: -140.775 flat angles P-C4'-P energy: -93.149 tors. eta vs tors. theta energy: -81.304 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: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1389.176717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.176717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.176717 (E_RNA) where: Base-Base interactions energy: -901.003 where: short stacking energy: -411.100 Base-Backbone interact. energy: 6.414 local terms energy: -494.588073 where: bonds (distance) C4'-P energy: -117.740 bonds (distance) P-C4' energy: -118.808 flat angles C4'-P-C4' energy: -125.505 flat angles P-C4'-P energy: -83.507 tors. eta vs tors. theta energy: -49.028 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: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -937.502993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.502993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.502993 (E_RNA) where: Base-Base interactions energy: -507.210 where: short stacking energy: -271.980 Base-Backbone interact. energy: -1.977 local terms energy: -428.316407 where: bonds (distance) C4'-P energy: -120.155 bonds (distance) P-C4' energy: -130.056 flat angles C4'-P-C4' energy: -122.352 flat angles P-C4'-P energy: -55.129 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3050.260551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.260551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.260551 (E_RNA) where: Base-Base interactions energy: -2106.669 where: short stacking energy: -901.755 Base-Backbone interact. energy: -0.412 local terms energy: -943.179200 where: bonds (distance) C4'-P energy: -164.937 bonds (distance) P-C4' energy: -173.269 flat angles C4'-P-C4' energy: -209.256 flat angles P-C4'-P energy: -127.429 tors. eta vs tors. theta energy: -268.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -2858.508093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.508093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.508093 (E_RNA) where: Base-Base interactions energy: -1994.299 where: short stacking energy: -852.223 Base-Backbone interact. energy: -1.730 local terms energy: -862.479571 where: bonds (distance) C4'-P energy: -157.600 bonds (distance) P-C4' energy: -154.154 flat angles C4'-P-C4' energy: -191.958 flat angles P-C4'-P energy: -111.739 tors. eta vs tors. theta energy: -247.028 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: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2696.559317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.559317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.559317 (E_RNA) where: Base-Base interactions energy: -1849.360 where: short stacking energy: -802.758 Base-Backbone interact. energy: -0.700 local terms energy: -846.499377 where: bonds (distance) C4'-P energy: -159.457 bonds (distance) P-C4' energy: -156.761 flat angles C4'-P-C4' energy: -171.988 flat angles P-C4'-P energy: -121.186 tors. eta vs tors. theta energy: -237.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2602.862681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.862681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.862681 (E_RNA) where: Base-Base interactions energy: -1796.839 where: short stacking energy: -771.490 Base-Backbone interact. energy: -2.456 local terms energy: -803.567508 where: bonds (distance) C4'-P energy: -150.586 bonds (distance) P-C4' energy: -152.040 flat angles C4'-P-C4' energy: -178.097 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -214.912 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: 7 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2453.145241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.145241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.145241 (E_RNA) where: Base-Base interactions energy: -1696.485 where: short stacking energy: -740.210 Base-Backbone interact. energy: -0.596 local terms energy: -756.064197 where: bonds (distance) C4'-P energy: -151.767 bonds (distance) P-C4' energy: -144.518 flat angles C4'-P-C4' energy: -161.983 flat angles P-C4'-P energy: -105.389 tors. eta vs tors. theta energy: -192.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2279.036005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.036005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.036005 (E_RNA) where: Base-Base interactions energy: -1583.589 where: short stacking energy: -681.870 Base-Backbone interact. energy: -2.538 local terms energy: -692.908954 where: bonds (distance) C4'-P energy: -133.902 bonds (distance) P-C4' energy: -136.948 flat angles C4'-P-C4' energy: -162.027 flat angles P-C4'-P energy: -91.944 tors. eta vs tors. theta energy: -168.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1994.443939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.443939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.443939 (E_RNA) where: Base-Base interactions energy: -1364.440 where: short stacking energy: -569.368 Base-Backbone interact. energy: -0.384 local terms energy: -629.619910 where: bonds (distance) C4'-P energy: -133.328 bonds (distance) P-C4' energy: -145.134 flat angles C4'-P-C4' energy: -149.978 flat angles P-C4'-P energy: -84.856 tors. eta vs tors. theta energy: -116.324 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: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1682.886766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.886766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.886766 (E_RNA) where: Base-Base interactions energy: -1126.375 where: short stacking energy: -502.293 Base-Backbone interact. energy: 0.622 local terms energy: -557.134713 where: bonds (distance) C4'-P energy: -114.454 bonds (distance) P-C4' energy: -150.689 flat angles C4'-P-C4' energy: -117.882 flat angles P-C4'-P energy: -84.124 tors. eta vs tors. theta energy: -89.986 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: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1361.190673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.190673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.190673 (E_RNA) where: Base-Base interactions energy: -817.942 where: short stacking energy: -404.151 Base-Backbone interact. energy: 0.600 local terms energy: -543.848889 where: bonds (distance) C4'-P energy: -123.352 bonds (distance) P-C4' energy: -144.269 flat angles C4'-P-C4' energy: -139.592 flat angles P-C4'-P energy: -66.681 tors. eta vs tors. theta energy: -69.955 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: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -858.352924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.352924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.352924 (E_RNA) where: Base-Base interactions energy: -447.768 where: short stacking energy: -240.673 Base-Backbone interact. energy: -2.248 local terms energy: -408.337412 where: bonds (distance) C4'-P energy: -137.321 bonds (distance) P-C4' energy: -135.541 flat angles C4'-P-C4' energy: -98.530 flat angles P-C4'-P energy: -50.025 tors. eta vs tors. theta energy: 13.079 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: 246 Temperature: 0.900000 Total energy: -3027.948272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.948272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.948272 (E_RNA) where: Base-Base interactions energy: -2095.210 where: short stacking energy: -902.253 Base-Backbone interact. energy: -1.610 local terms energy: -931.127977 where: bonds (distance) C4'-P energy: -170.625 bonds (distance) P-C4' energy: -160.448 flat angles C4'-P-C4' energy: -202.536 flat angles P-C4'-P energy: -128.347 tors. eta vs tors. theta energy: -269.171 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: 2, replica: 10 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -2831.000381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.000381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.000381 (E_RNA) where: Base-Base interactions energy: -1953.077 where: short stacking energy: -821.453 Base-Backbone interact. energy: -6.460 local terms energy: -871.463099 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -169.861 flat angles C4'-P-C4' energy: -186.226 flat angles P-C4'-P energy: -121.649 tors. eta vs tors. theta energy: -236.763 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: 5 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2679.537858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.537858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.537858 (E_RNA) where: Base-Base interactions energy: -1835.691 where: short stacking energy: -811.200 Base-Backbone interact. energy: -1.834 local terms energy: -842.012712 where: bonds (distance) C4'-P energy: -149.235 bonds (distance) P-C4' energy: -157.854 flat angles C4'-P-C4' energy: -187.740 flat angles P-C4'-P energy: -113.937 tors. eta vs tors. theta energy: -233.246 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: 3 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2603.513185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.513185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.513185 (E_RNA) where: Base-Base interactions energy: -1784.961 where: short stacking energy: -788.649 Base-Backbone interact. energy: -3.208 local terms energy: -815.343981 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -155.844 flat angles C4'-P-C4' energy: -167.753 flat angles P-C4'-P energy: -112.055 tors. eta vs tors. theta energy: -234.290 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: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2510.228969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.228969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.228969 (E_RNA) where: Base-Base interactions energy: -1727.946 where: short stacking energy: -750.435 Base-Backbone interact. energy: -4.526 local terms energy: -777.756583 where: bonds (distance) C4'-P energy: -138.979 bonds (distance) P-C4' energy: -157.119 flat angles C4'-P-C4' energy: -168.572 flat angles P-C4'-P energy: -115.331 tors. eta vs tors. theta energy: -197.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2273.799516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.799516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.799516 (E_RNA) where: Base-Base interactions energy: -1553.937 where: short stacking energy: -663.352 Base-Backbone interact. energy: -3.190 local terms energy: -716.672590 where: bonds (distance) C4'-P energy: -145.336 bonds (distance) P-C4' energy: -145.526 flat angles C4'-P-C4' energy: -155.187 flat angles P-C4'-P energy: -98.967 tors. eta vs tors. theta energy: -171.656 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: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2014.376509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.376509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.376509 (E_RNA) where: Base-Base interactions energy: -1405.774 where: short stacking energy: -580.228 Base-Backbone interact. energy: -5.128 local terms energy: -603.473880 where: bonds (distance) C4'-P energy: -141.703 bonds (distance) P-C4' energy: -137.680 flat angles C4'-P-C4' energy: -133.194 flat angles P-C4'-P energy: -67.492 tors. eta vs tors. theta energy: -123.405 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: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1679.582571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.582571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.582571 (E_RNA) where: Base-Base interactions energy: -1101.427 where: short stacking energy: -482.570 Base-Backbone interact. energy: -0.744 local terms energy: -577.411950 where: bonds (distance) C4'-P energy: -126.204 bonds (distance) P-C4' energy: -115.785 flat angles C4'-P-C4' energy: -149.904 flat angles P-C4'-P energy: -82.981 tors. eta vs tors. theta energy: -102.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1332.932291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.932291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.932291 (E_RNA) where: Base-Base interactions energy: -803.109 where: short stacking energy: -371.335 Base-Backbone interact. energy: 2.544 local terms energy: -532.367064 where: bonds (distance) C4'-P energy: -135.104 bonds (distance) P-C4' energy: -155.135 flat angles C4'-P-C4' energy: -116.443 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -37.544 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: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -834.365180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.365180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.365180 (E_RNA) where: Base-Base interactions energy: -399.216 where: short stacking energy: -226.031 Base-Backbone interact. energy: 5.744 local terms energy: -440.892588 where: bonds (distance) C4'-P energy: -116.825 bonds (distance) P-C4' energy: -159.611 flat angles C4'-P-C4' energy: -106.701 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: 5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3001.322655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.322655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.322655 (E_RNA) where: Base-Base interactions energy: -2110.519 where: short stacking energy: -912.929 Base-Backbone interact. energy: -3.191 local terms energy: -887.612939 where: bonds (distance) C4'-P energy: -154.367 bonds (distance) P-C4' energy: -167.105 flat angles C4'-P-C4' energy: -192.829 flat angles P-C4'-P energy: -111.409 tors. eta vs tors. theta energy: -261.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -2877.299772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.299772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.299772 (E_RNA) where: Base-Base interactions energy: -2007.984 where: short stacking energy: -838.587 Base-Backbone interact. energy: -3.218 local terms energy: -866.097670 where: bonds (distance) C4'-P energy: -162.147 bonds (distance) P-C4' energy: -155.170 flat angles C4'-P-C4' energy: -179.969 flat angles P-C4'-P energy: -126.230 tors. eta vs tors. theta energy: -242.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -2725.742915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.742915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.742915 (E_RNA) where: Base-Base interactions energy: -1878.683 where: short stacking energy: -844.747 Base-Backbone interact. energy: -0.171 local terms energy: -846.889689 where: bonds (distance) C4'-P energy: -153.318 bonds (distance) P-C4' energy: -162.118 flat angles C4'-P-C4' energy: -179.912 flat angles P-C4'-P energy: -120.007 tors. eta vs tors. theta energy: -231.535 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: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2597.287732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.287732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.287732 (E_RNA) where: Base-Base interactions energy: -1775.688 where: short stacking energy: -800.723 Base-Backbone interact. energy: -1.884 local terms energy: -819.714804 where: bonds (distance) C4'-P energy: -127.620 bonds (distance) P-C4' energy: -164.111 flat angles C4'-P-C4' energy: -187.241 flat angles P-C4'-P energy: -117.852 tors. eta vs tors. theta energy: -222.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2479.937083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.937083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.937083 (E_RNA) where: Base-Base interactions energy: -1726.271 where: short stacking energy: -736.494 Base-Backbone interact. energy: 3.741 local terms energy: -757.407037 where: bonds (distance) C4'-P energy: -138.712 bonds (distance) P-C4' energy: -155.702 flat angles C4'-P-C4' energy: -173.258 flat angles P-C4'-P energy: -104.942 tors. eta vs tors. theta energy: -184.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2254.026527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.026527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.026527 (E_RNA) where: Base-Base interactions energy: -1549.923 where: short stacking energy: -645.825 Base-Backbone interact. energy: -0.599 local terms energy: -703.504917 where: bonds (distance) C4'-P energy: -141.252 bonds (distance) P-C4' energy: -140.077 flat angles C4'-P-C4' energy: -152.516 flat angles P-C4'-P energy: -97.319 tors. eta vs tors. theta energy: -172.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2019.882373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.882373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.882373 (E_RNA) where: Base-Base interactions energy: -1400.062 where: short stacking energy: -582.959 Base-Backbone interact. energy: -0.914 local terms energy: -618.906354 where: bonds (distance) C4'-P energy: -111.310 bonds (distance) P-C4' energy: -141.848 flat angles C4'-P-C4' energy: -145.889 flat angles P-C4'-P energy: -91.482 tors. eta vs tors. theta energy: -128.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1747.621532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.621532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.621532 (E_RNA) where: Base-Base interactions energy: -1150.146 where: short stacking energy: -490.649 Base-Backbone interact. energy: 4.549 local terms energy: -602.024604 where: bonds (distance) C4'-P energy: -140.710 bonds (distance) P-C4' energy: -130.988 flat angles C4'-P-C4' energy: -145.421 flat angles P-C4'-P energy: -84.395 tors. eta vs tors. theta energy: -100.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1328.295751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.295751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.295751 (E_RNA) where: Base-Base interactions energy: -826.596 where: short stacking energy: -399.292 Base-Backbone interact. energy: -3.642 local terms energy: -498.057633 where: bonds (distance) C4'-P energy: -128.347 bonds (distance) P-C4' energy: -131.386 flat angles C4'-P-C4' energy: -118.886 flat angles P-C4'-P energy: -71.955 tors. eta vs tors. theta energy: -47.483 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: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -888.288503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.288503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.288503 (E_RNA) where: Base-Base interactions energy: -393.399 where: short stacking energy: -239.379 Base-Backbone interact. energy: 4.407 local terms energy: -499.295764 where: bonds (distance) C4'-P energy: -149.495 bonds (distance) P-C4' energy: -133.495 flat angles C4'-P-C4' energy: -134.714 flat angles P-C4'-P energy: -81.374 tors. eta vs tors. theta energy: -0.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3022.490275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.490275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.490275 (E_RNA) where: Base-Base interactions energy: -2105.650 where: short stacking energy: -919.248 Base-Backbone interact. energy: -2.222 local terms energy: -914.618469 where: bonds (distance) C4'-P energy: -169.226 bonds (distance) P-C4' energy: -164.622 flat angles C4'-P-C4' energy: -190.039 flat angles P-C4'-P energy: -131.691 tors. eta vs tors. theta energy: -259.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -2875.559272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.559272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.559272 (E_RNA) where: Base-Base interactions energy: -1993.660 where: short stacking energy: -827.416 Base-Backbone interact. energy: -4.846 local terms energy: -877.053859 where: bonds (distance) C4'-P energy: -169.720 bonds (distance) P-C4' energy: -156.587 flat angles C4'-P-C4' energy: -183.057 flat angles P-C4'-P energy: -112.361 tors. eta vs tors. theta energy: -255.328 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: 248 Temperature: 1.000000 Total energy: -2734.722626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.722626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.722626 (E_RNA) where: Base-Base interactions energy: -1861.111 where: short stacking energy: -828.415 Base-Backbone interact. energy: -1.904 local terms energy: -871.707419 where: bonds (distance) C4'-P energy: -152.642 bonds (distance) P-C4' energy: -170.418 flat angles C4'-P-C4' energy: -181.111 flat angles P-C4'-P energy: -111.595 tors. eta vs tors. theta energy: -255.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2649.533717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.533717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.533717 (E_RNA) where: Base-Base interactions energy: -1846.105 where: short stacking energy: -810.603 Base-Backbone interact. energy: -0.745 local terms energy: -802.683369 where: bonds (distance) C4'-P energy: -146.208 bonds (distance) P-C4' energy: -156.341 flat angles C4'-P-C4' energy: -171.175 flat angles P-C4'-P energy: -108.555 tors. eta vs tors. theta energy: -220.406 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: 7 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2406.026899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.026899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.026899 (E_RNA) where: Base-Base interactions energy: -1661.654 where: short stacking energy: -728.728 Base-Backbone interact. energy: -2.080 local terms energy: -742.293070 where: bonds (distance) C4'-P energy: -127.855 bonds (distance) P-C4' energy: -146.528 flat angles C4'-P-C4' energy: -158.461 flat angles P-C4'-P energy: -114.894 tors. eta vs tors. theta energy: -194.555 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: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2277.718188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.718188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.718188 (E_RNA) where: Base-Base interactions energy: -1549.861 where: short stacking energy: -693.192 Base-Backbone interact. energy: -1.424 local terms energy: -726.432927 where: bonds (distance) C4'-P energy: -133.202 bonds (distance) P-C4' energy: -135.114 flat angles C4'-P-C4' energy: -182.526 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -172.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1990.308685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.308685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.308685 (E_RNA) where: Base-Base interactions energy: -1347.136 where: short stacking energy: -550.035 Base-Backbone interact. energy: -1.427 local terms energy: -641.745777 where: bonds (distance) C4'-P energy: -150.326 bonds (distance) P-C4' energy: -132.639 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -100.501 tors. eta vs tors. theta energy: -118.281 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: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1621.454606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.454606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.454606 (E_RNA) where: Base-Base interactions energy: -1036.297 where: short stacking energy: -458.037 Base-Backbone interact. energy: -0.538 local terms energy: -584.619460 where: bonds (distance) C4'-P energy: -136.846 bonds (distance) P-C4' energy: -141.333 flat angles C4'-P-C4' energy: -145.847 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -81.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1331.030555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.030555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.030555 (E_RNA) where: Base-Base interactions energy: -816.527 where: short stacking energy: -377.996 Base-Backbone interact. energy: 3.940 local terms energy: -518.443070 where: bonds (distance) C4'-P energy: -124.637 bonds (distance) P-C4' energy: -137.625 flat angles C4'-P-C4' energy: -145.519 flat angles P-C4'-P energy: -76.304 tors. eta vs tors. theta energy: -34.358 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: 6 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -847.951995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.951995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.951995 (E_RNA) where: Base-Base interactions energy: -392.700 where: short stacking energy: -219.888 Base-Backbone interact. energy: 2.205 local terms energy: -457.457216 where: bonds (distance) C4'-P energy: -130.757 bonds (distance) P-C4' energy: -142.321 flat angles C4'-P-C4' energy: -134.429 flat angles P-C4'-P energy: -72.007 tors. eta vs tors. theta energy: 22.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3026.584018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.584018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.584018 (E_RNA) where: Base-Base interactions energy: -2108.013 where: short stacking energy: -914.788 Base-Backbone interact. energy: -1.411 local terms energy: -917.160284 where: bonds (distance) C4'-P energy: -163.183 bonds (distance) P-C4' energy: -174.707 flat angles C4'-P-C4' energy: -188.401 flat angles P-C4'-P energy: -128.660 tors. eta vs tors. theta energy: -262.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -2839.748848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.748848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.748848 (E_RNA) where: Base-Base interactions energy: -1974.519 where: short stacking energy: -830.791 Base-Backbone interact. energy: -1.184 local terms energy: -864.045677 where: bonds (distance) C4'-P energy: -171.904 bonds (distance) P-C4' energy: -164.080 flat angles C4'-P-C4' energy: -183.160 flat angles P-C4'-P energy: -115.013 tors. eta vs tors. theta energy: -229.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2678.623220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.623220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.623220 (E_RNA) where: Base-Base interactions energy: -1824.289 where: short stacking energy: -800.272 Base-Backbone interact. energy: 1.516 local terms energy: -855.849658 where: bonds (distance) C4'-P energy: -133.162 bonds (distance) P-C4' energy: -172.937 flat angles C4'-P-C4' energy: -186.895 flat angles P-C4'-P energy: -122.907 tors. eta vs tors. theta energy: -239.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2677.149708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.149708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.149708 (E_RNA) where: Base-Base interactions energy: -1806.419 where: short stacking energy: -817.856 Base-Backbone interact. energy: -1.835 local terms energy: -868.896478 where: bonds (distance) C4'-P energy: -139.999 bonds (distance) P-C4' energy: -170.721 flat angles C4'-P-C4' energy: -185.667 flat angles P-C4'-P energy: -134.493 tors. eta vs tors. theta energy: -238.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2428.184596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.184596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.184596 (E_RNA) where: Base-Base interactions energy: -1634.396 where: short stacking energy: -703.017 Base-Backbone interact. energy: -2.505 local terms energy: -791.283270 where: bonds (distance) C4'-P energy: -155.705 bonds (distance) P-C4' energy: -166.104 flat angles C4'-P-C4' energy: -160.952 flat angles P-C4'-P energy: -117.061 tors. eta vs tors. theta energy: -191.462 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: 249 Temperature: 1.150000 Total energy: -2262.456963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.456963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.456963 (E_RNA) where: Base-Base interactions energy: -1552.342 where: short stacking energy: -671.331 Base-Backbone interact. energy: 1.716 local terms energy: -711.830737 where: bonds (distance) C4'-P energy: -153.859 bonds (distance) P-C4' energy: -137.896 flat angles C4'-P-C4' energy: -161.597 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -168.865 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: 9 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2027.902264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.902264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.902264 (E_RNA) where: Base-Base interactions energy: -1399.204 where: short stacking energy: -581.000 Base-Backbone interact. energy: -1.634 local terms energy: -627.064240 where: bonds (distance) C4'-P energy: -114.755 bonds (distance) P-C4' energy: -142.228 flat angles C4'-P-C4' energy: -137.685 flat angles P-C4'-P energy: -111.229 tors. eta vs tors. theta energy: -121.168 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: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1732.681887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.681887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.681887 (E_RNA) where: Base-Base interactions energy: -1119.222 where: short stacking energy: -504.451 Base-Backbone interact. energy: 2.441 local terms energy: -615.900519 where: bonds (distance) C4'-P energy: -132.263 bonds (distance) P-C4' energy: -144.157 flat angles C4'-P-C4' energy: -153.397 flat angles P-C4'-P energy: -81.316 tors. eta vs tors. theta energy: -104.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1358.010224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.010224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.010224 (E_RNA) where: Base-Base interactions energy: -813.635 where: short stacking energy: -393.814 Base-Backbone interact. energy: 8.174 local terms energy: -552.549435 where: bonds (distance) C4'-P energy: -157.133 bonds (distance) P-C4' energy: -128.747 flat angles C4'-P-C4' energy: -139.415 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -56.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -813.832511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.832511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.832511 (E_RNA) where: Base-Base interactions energy: -388.512 where: short stacking energy: -211.173 Base-Backbone interact. energy: -0.259 local terms energy: -425.061742 where: bonds (distance) C4'-P energy: -128.728 bonds (distance) P-C4' energy: -127.386 flat angles C4'-P-C4' energy: -109.314 flat angles P-C4'-P energy: -74.353 tors. eta vs tors. theta energy: 14.719 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: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3038.320497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.320497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.320497 (E_RNA) where: Base-Base interactions energy: -2121.040 where: short stacking energy: -921.594 Base-Backbone interact. energy: 2.039 local terms energy: -919.319493 where: bonds (distance) C4'-P energy: -170.382 bonds (distance) P-C4' energy: -165.578 flat angles C4'-P-C4' energy: -188.405 flat angles P-C4'-P energy: -125.392 tors. eta vs tors. theta energy: -269.563 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: 10 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -2870.957897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.957897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.957897 (E_RNA) where: Base-Base interactions energy: -2007.406 where: short stacking energy: -845.830 Base-Backbone interact. energy: -1.737 local terms energy: -861.814695 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -163.436 flat angles C4'-P-C4' energy: -182.152 flat angles P-C4'-P energy: -127.879 tors. eta vs tors. theta energy: -239.123 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: 250 Temperature: 1.000000 Total energy: -2666.503109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.503109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.503109 (E_RNA) where: Base-Base interactions energy: -1844.066 where: short stacking energy: -822.663 Base-Backbone interact. energy: -2.320 local terms energy: -820.117630 where: bonds (distance) C4'-P energy: -144.211 bonds (distance) P-C4' energy: -155.099 flat angles C4'-P-C4' energy: -171.025 flat angles P-C4'-P energy: -112.618 tors. eta vs tors. theta energy: -237.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2676.113993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.113993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.113993 (E_RNA) where: Base-Base interactions energy: -1848.419 where: short stacking energy: -809.052 Base-Backbone interact. energy: -2.560 local terms energy: -825.134948 where: bonds (distance) C4'-P energy: -137.874 bonds (distance) P-C4' energy: -164.103 flat angles C4'-P-C4' energy: -174.754 flat angles P-C4'-P energy: -116.784 tors. eta vs tors. theta energy: -231.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2444.397479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.397479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.397479 (E_RNA) where: Base-Base interactions energy: -1699.533 where: short stacking energy: -728.382 Base-Backbone interact. energy: 1.000 local terms energy: -745.864338 where: bonds (distance) C4'-P energy: -148.562 bonds (distance) P-C4' energy: -158.932 flat angles C4'-P-C4' energy: -153.764 flat angles P-C4'-P energy: -93.667 tors. eta vs tors. theta energy: -190.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2253.865552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.865552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.865552 (E_RNA) where: Base-Base interactions energy: -1553.522 where: short stacking energy: -674.168 Base-Backbone interact. energy: -3.471 local terms energy: -696.872608 where: bonds (distance) C4'-P energy: -131.439 bonds (distance) P-C4' energy: -145.347 flat angles C4'-P-C4' energy: -162.988 flat angles P-C4'-P energy: -96.171 tors. eta vs tors. theta energy: -160.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1988.498505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.498505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.498505 (E_RNA) where: Base-Base interactions energy: -1383.209 where: short stacking energy: -597.986 Base-Backbone interact. energy: 3.314 local terms energy: -608.604191 where: bonds (distance) C4'-P energy: -143.802 bonds (distance) P-C4' energy: -127.033 flat angles C4'-P-C4' energy: -165.383 flat angles P-C4'-P energy: -55.514 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: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1710.439471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.439471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.439471 (E_RNA) where: Base-Base interactions energy: -1133.929 where: short stacking energy: -511.964 Base-Backbone interact. energy: -1.343 local terms energy: -575.168043 where: bonds (distance) C4'-P energy: -138.825 bonds (distance) P-C4' energy: -126.302 flat angles C4'-P-C4' energy: -145.688 flat angles P-C4'-P energy: -66.305 tors. eta vs tors. theta energy: -98.048 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: 9, replica: 8 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1407.414511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.414511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.414511 (E_RNA) where: Base-Base interactions energy: -858.049 where: short stacking energy: -399.841 Base-Backbone interact. energy: 2.347 local terms energy: -551.712199 where: bonds (distance) C4'-P energy: -115.671 bonds (distance) P-C4' energy: -146.269 flat angles C4'-P-C4' energy: -136.220 flat angles P-C4'-P energy: -83.352 tors. eta vs tors. theta energy: -70.200 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: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -846.877401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.877401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.877401 (E_RNA) where: Base-Base interactions energy: -447.876 where: short stacking energy: -277.923 Base-Backbone interact. energy: 0.144 local terms energy: -399.145633 where: bonds (distance) C4'-P energy: -98.183 bonds (distance) P-C4' energy: -124.296 flat angles C4'-P-C4' energy: -125.883 flat angles P-C4'-P energy: -61.766 tors. eta vs tors. theta energy: 10.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3034.127652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.127652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.127652 (E_RNA) where: Base-Base interactions energy: -2104.823 where: short stacking energy: -929.118 Base-Backbone interact. energy: -2.868 local terms energy: -926.436816 where: bonds (distance) C4'-P energy: -162.339 bonds (distance) P-C4' energy: -165.349 flat angles C4'-P-C4' energy: -198.187 flat angles P-C4'-P energy: -137.258 tors. eta vs tors. theta energy: -263.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -2849.379887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.379887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.379887 (E_RNA) where: Base-Base interactions energy: -1984.395 where: short stacking energy: -825.921 Base-Backbone interact. energy: 4.099 local terms energy: -869.084117 where: bonds (distance) C4'-P energy: -150.981 bonds (distance) P-C4' energy: -165.240 flat angles C4'-P-C4' energy: -189.478 flat angles P-C4'-P energy: -120.622 tors. eta vs tors. theta energy: -242.763 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: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2684.262840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.262840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.262840 (E_RNA) where: Base-Base interactions energy: -1816.751 where: short stacking energy: -809.855 Base-Backbone interact. energy: -1.218 local terms energy: -866.293899 where: bonds (distance) C4'-P energy: -172.539 bonds (distance) P-C4' energy: -154.859 flat angles C4'-P-C4' energy: -180.450 flat angles P-C4'-P energy: -117.133 tors. eta vs tors. theta energy: -241.312 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: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2691.990210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.990210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.990210 (E_RNA) where: Base-Base interactions energy: -1860.972 where: short stacking energy: -806.923 Base-Backbone interact. energy: 2.677 local terms energy: -833.695194 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -149.714 flat angles C4'-P-C4' energy: -183.938 flat angles P-C4'-P energy: -118.363 tors. eta vs tors. theta energy: -228.176 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: 7 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2404.793038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.793038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.793038 (E_RNA) where: Base-Base interactions energy: -1638.769 where: short stacking energy: -702.198 Base-Backbone interact. energy: -1.970 local terms energy: -764.053777 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -149.069 flat angles C4'-P-C4' energy: -174.992 flat angles P-C4'-P energy: -107.856 tors. eta vs tors. theta energy: -183.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2217.420616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.420616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.420616 (E_RNA) where: Base-Base interactions energy: -1500.519 where: short stacking energy: -657.129 Base-Backbone interact. energy: -0.532 local terms energy: -716.369352 where: bonds (distance) C4'-P energy: -138.845 bonds (distance) P-C4' energy: -133.293 flat angles C4'-P-C4' energy: -174.802 flat angles P-C4'-P energy: -104.475 tors. eta vs tors. theta energy: -164.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2006.967367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.967367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.967367 (E_RNA) where: Base-Base interactions energy: -1374.725 where: short stacking energy: -544.029 Base-Backbone interact. energy: 8.274 local terms energy: -640.516964 where: bonds (distance) C4'-P energy: -146.242 bonds (distance) P-C4' energy: -152.580 flat angles C4'-P-C4' energy: -146.323 flat angles P-C4'-P energy: -87.606 tors. eta vs tors. theta energy: -107.766 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: 4 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1770.691529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.691529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.691529 (E_RNA) where: Base-Base interactions energy: -1125.371 where: short stacking energy: -517.439 Base-Backbone interact. energy: -0.766 local terms energy: -644.553970 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -143.339 flat angles C4'-P-C4' energy: -146.807 flat angles P-C4'-P energy: -101.468 tors. eta vs tors. theta energy: -111.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1315.530212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.530212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.530212 (E_RNA) where: Base-Base interactions energy: -818.494 where: short stacking energy: -411.289 Base-Backbone interact. energy: -1.978 local terms energy: -495.058051 where: bonds (distance) C4'-P energy: -118.320 bonds (distance) P-C4' energy: -124.628 flat angles C4'-P-C4' energy: -134.744 flat angles P-C4'-P energy: -64.766 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: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -872.449473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.449473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.449473 (E_RNA) where: Base-Base interactions energy: -471.846 where: short stacking energy: -263.947 Base-Backbone interact. energy: -2.143 local terms energy: -398.460287 where: bonds (distance) C4'-P energy: -119.901 bonds (distance) P-C4' energy: -142.895 flat angles C4'-P-C4' energy: -121.207 flat angles P-C4'-P energy: -32.635 tors. eta vs tors. theta energy: 18.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3019.278145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.278145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.278145 (E_RNA) where: Base-Base interactions energy: -2113.810 where: short stacking energy: -911.208 Base-Backbone interact. energy: 1.561 local terms energy: -907.029611 where: bonds (distance) C4'-P energy: -175.192 bonds (distance) P-C4' energy: -156.748 flat angles C4'-P-C4' energy: -184.467 flat angles P-C4'-P energy: -123.433 tors. eta vs tors. theta energy: -267.190 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: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -2847.223461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.223461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.223461 (E_RNA) where: Base-Base interactions energy: -1961.751 where: short stacking energy: -828.989 Base-Backbone interact. energy: -5.971 local terms energy: -879.501363 where: bonds (distance) C4'-P energy: -163.476 bonds (distance) P-C4' energy: -157.127 flat angles C4'-P-C4' energy: -195.271 flat angles P-C4'-P energy: -123.252 tors. eta vs tors. theta energy: -240.375 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: 5 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2796.167824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.167824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.167824 (E_RNA) where: Base-Base interactions energy: -1952.078 where: short stacking energy: -856.364 Base-Backbone interact. energy: -1.941 local terms energy: -842.149168 where: bonds (distance) C4'-P energy: -166.383 bonds (distance) P-C4' energy: -144.151 flat angles C4'-P-C4' energy: -190.693 flat angles P-C4'-P energy: -109.651 tors. eta vs tors. theta energy: -231.271 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: 3 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2653.300610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.300610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.300610 (E_RNA) where: Base-Base interactions energy: -1793.623 where: short stacking energy: -794.787 Base-Backbone interact. energy: -2.645 local terms energy: -857.033026 where: bonds (distance) C4'-P energy: -169.084 bonds (distance) P-C4' energy: -162.029 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -125.054 tors. eta vs tors. theta energy: -231.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2395.687009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.687009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.687009 (E_RNA) where: Base-Base interactions energy: -1652.751 where: short stacking energy: -711.520 Base-Backbone interact. energy: -2.913 local terms energy: -740.022381 where: bonds (distance) C4'-P energy: -128.353 bonds (distance) P-C4' energy: -158.624 flat angles C4'-P-C4' energy: -167.155 flat angles P-C4'-P energy: -102.077 tors. eta vs tors. theta energy: -183.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2300.037187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.037187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.037187 (E_RNA) where: Base-Base interactions energy: -1550.031 where: short stacking energy: -683.839 Base-Backbone interact. energy: -1.358 local terms energy: -748.648244 where: bonds (distance) C4'-P energy: -157.233 bonds (distance) P-C4' energy: -139.715 flat angles C4'-P-C4' energy: -170.485 flat angles P-C4'-P energy: -106.809 tors. eta vs tors. theta energy: -174.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2023.286897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.286897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.286897 (E_RNA) where: Base-Base interactions energy: -1366.010 where: short stacking energy: -579.450 Base-Backbone interact. energy: 1.320 local terms energy: -658.596269 where: bonds (distance) C4'-P energy: -123.429 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -154.064 flat angles P-C4'-P energy: -107.725 tors. eta vs tors. theta energy: -125.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1667.381660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.381660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.381660 (E_RNA) where: Base-Base interactions energy: -1067.051 where: short stacking energy: -476.864 Base-Backbone interact. energy: -2.465 local terms energy: -597.865584 where: bonds (distance) C4'-P energy: -152.500 bonds (distance) P-C4' energy: -143.259 flat angles C4'-P-C4' energy: -130.449 flat angles P-C4'-P energy: -94.990 tors. eta vs tors. theta energy: -76.668 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: 252 Temperature: 1.300000 Total energy: -1341.513351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.513351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.513351 (E_RNA) where: Base-Base interactions energy: -813.693 where: short stacking energy: -387.904 Base-Backbone interact. energy: 2.096 local terms energy: -529.916343 where: bonds (distance) C4'-P energy: -137.088 bonds (distance) P-C4' energy: -121.449 flat angles C4'-P-C4' energy: -132.223 flat angles P-C4'-P energy: -88.574 tors. eta vs tors. theta energy: -50.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -882.023457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.023457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.023457 (E_RNA) where: Base-Base interactions energy: -449.223 where: short stacking energy: -253.772 Base-Backbone interact. energy: 2.075 local terms energy: -434.875590 where: bonds (distance) C4'-P energy: -113.253 bonds (distance) P-C4' energy: -134.489 flat angles C4'-P-C4' energy: -134.915 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -2.770 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: 253 Temperature: 0.900000 Total energy: -3037.447594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.447594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.447594 (E_RNA) where: Base-Base interactions energy: -2123.794 where: short stacking energy: -916.078 Base-Backbone interact. energy: -0.544 local terms energy: -913.109479 where: bonds (distance) C4'-P energy: -152.385 bonds (distance) P-C4' energy: -166.659 flat angles C4'-P-C4' energy: -200.895 flat angles P-C4'-P energy: -121.996 tors. eta vs tors. theta energy: -271.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -2862.183093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.183093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.183093 (E_RNA) where: Base-Base interactions energy: -2008.087 where: short stacking energy: -851.773 Base-Backbone interact. energy: -1.125 local terms energy: -852.970194 where: bonds (distance) C4'-P energy: -145.545 bonds (distance) P-C4' energy: -165.164 flat angles C4'-P-C4' energy: -172.535 flat angles P-C4'-P energy: -136.423 tors. eta vs tors. theta energy: -233.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -2754.994781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.994781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.994781 (E_RNA) where: Base-Base interactions energy: -1882.994 where: short stacking energy: -855.536 Base-Backbone interact. energy: -5.060 local terms energy: -866.940917 where: bonds (distance) C4'-P energy: -164.472 bonds (distance) P-C4' energy: -149.192 flat angles C4'-P-C4' energy: -178.655 flat angles P-C4'-P energy: -137.675 tors. eta vs tors. theta energy: -236.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2617.081686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.081686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.081686 (E_RNA) where: Base-Base interactions energy: -1804.709 where: short stacking energy: -809.721 Base-Backbone interact. energy: -2.650 local terms energy: -809.722894 where: bonds (distance) C4'-P energy: -142.877 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -174.973 flat angles P-C4'-P energy: -111.219 tors. eta vs tors. theta energy: -229.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2400.593415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.593415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.593415 (E_RNA) where: Base-Base interactions energy: -1678.862 where: short stacking energy: -722.777 Base-Backbone interact. energy: -0.716 local terms energy: -721.015865 where: bonds (distance) C4'-P energy: -147.397 bonds (distance) P-C4' energy: -146.050 flat angles C4'-P-C4' energy: -160.614 flat angles P-C4'-P energy: -85.425 tors. eta vs tors. theta energy: -181.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2289.781856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.781856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.781856 (E_RNA) where: Base-Base interactions energy: -1597.331 where: short stacking energy: -700.021 Base-Backbone interact. energy: 4.992 local terms energy: -697.443363 where: bonds (distance) C4'-P energy: -135.948 bonds (distance) P-C4' energy: -133.787 flat angles C4'-P-C4' energy: -156.108 flat angles P-C4'-P energy: -96.852 tors. eta vs tors. theta energy: -174.749 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: 7, replica: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2007.729976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.729976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.729976 (E_RNA) where: Base-Base interactions energy: -1363.694 where: short stacking energy: -570.219 Base-Backbone interact. energy: 0.848 local terms energy: -644.884115 where: bonds (distance) C4'-P energy: -145.862 bonds (distance) P-C4' energy: -117.920 flat angles C4'-P-C4' energy: -151.178 flat angles P-C4'-P energy: -113.718 tors. eta vs tors. theta energy: -116.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1699.999334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.999334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.999334 (E_RNA) where: Base-Base interactions energy: -1125.519 where: short stacking energy: -512.802 Base-Backbone interact. energy: 1.646 local terms energy: -576.126105 where: bonds (distance) C4'-P energy: -121.809 bonds (distance) P-C4' energy: -143.131 flat angles C4'-P-C4' energy: -140.827 flat angles P-C4'-P energy: -84.585 tors. eta vs tors. theta energy: -85.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1403.704768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.704768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.704768 (E_RNA) where: Base-Base interactions energy: -895.908 where: short stacking energy: -400.799 Base-Backbone interact. energy: 2.976 local terms energy: -510.772789 where: bonds (distance) C4'-P energy: -131.349 bonds (distance) P-C4' energy: -130.565 flat angles C4'-P-C4' energy: -121.949 flat angles P-C4'-P energy: -70.457 tors. eta vs tors. theta energy: -56.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -926.356354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.356354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.356354 (E_RNA) where: Base-Base interactions energy: -480.869 where: short stacking energy: -290.511 Base-Backbone interact. energy: 4.055 local terms energy: -449.541678 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -135.534 flat angles C4'-P-C4' energy: -113.819 flat angles P-C4'-P energy: -77.264 tors. eta vs tors. theta energy: 0.078 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: 254 Temperature: 0.900000 Total energy: -2998.577789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.577789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.577789 (E_RNA) where: Base-Base interactions energy: -2074.149 where: short stacking energy: -904.611 Base-Backbone interact. energy: 2.373 local terms energy: -926.802322 where: bonds (distance) C4'-P energy: -171.866 bonds (distance) P-C4' energy: -165.074 flat angles C4'-P-C4' energy: -197.028 flat angles P-C4'-P energy: -130.169 tors. eta vs tors. theta energy: -262.665 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: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -2859.943270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.943270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.943270 (E_RNA) where: Base-Base interactions energy: -1986.801 where: short stacking energy: -816.406 Base-Backbone interact. energy: 0.285 local terms energy: -873.427441 where: bonds (distance) C4'-P energy: -165.856 bonds (distance) P-C4' energy: -170.631 flat angles C4'-P-C4' energy: -183.089 flat angles P-C4'-P energy: -127.936 tors. eta vs tors. theta energy: -225.915 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: 5 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2715.315175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.315175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.315175 (E_RNA) where: Base-Base interactions energy: -1846.191 where: short stacking energy: -826.493 Base-Backbone interact. energy: -5.461 local terms energy: -863.663428 where: bonds (distance) C4'-P energy: -166.882 bonds (distance) P-C4' energy: -155.694 flat angles C4'-P-C4' energy: -180.950 flat angles P-C4'-P energy: -125.010 tors. eta vs tors. theta energy: -235.128 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: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2560.050303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.050303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.050303 (E_RNA) where: Base-Base interactions energy: -1742.171 where: short stacking energy: -753.917 Base-Backbone interact. energy: -2.287 local terms energy: -815.592411 where: bonds (distance) C4'-P energy: -138.943 bonds (distance) P-C4' energy: -159.748 flat angles C4'-P-C4' energy: -179.761 flat angles P-C4'-P energy: -112.903 tors. eta vs tors. theta energy: -224.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2437.760766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.760766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.760766 (E_RNA) where: Base-Base interactions energy: -1728.299 where: short stacking energy: -769.185 Base-Backbone interact. energy: 6.635 local terms energy: -716.097175 where: bonds (distance) C4'-P energy: -123.652 bonds (distance) P-C4' energy: -150.642 flat angles C4'-P-C4' energy: -164.904 flat angles P-C4'-P energy: -90.107 tors. eta vs tors. theta energy: -186.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2311.592417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.592417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.592417 (E_RNA) where: Base-Base interactions energy: -1594.231 where: short stacking energy: -688.053 Base-Backbone interact. energy: -4.571 local terms energy: -712.790356 where: bonds (distance) C4'-P energy: -134.033 bonds (distance) P-C4' energy: -151.530 flat angles C4'-P-C4' energy: -168.490 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -172.609 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: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2010.546228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.546228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.546228 (E_RNA) where: Base-Base interactions energy: -1384.045 where: short stacking energy: -605.831 Base-Backbone interact. energy: 6.273 local terms energy: -632.774168 where: bonds (distance) C4'-P energy: -145.236 bonds (distance) P-C4' energy: -131.468 flat angles C4'-P-C4' energy: -146.048 flat angles P-C4'-P energy: -78.653 tors. eta vs tors. theta energy: -131.370 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: 4 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1659.207985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.207985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.207985 (E_RNA) where: Base-Base interactions energy: -1063.801 where: short stacking energy: -483.368 Base-Backbone interact. energy: -0.933 local terms energy: -594.473150 where: bonds (distance) C4'-P energy: -109.889 bonds (distance) P-C4' energy: -145.489 flat angles C4'-P-C4' energy: -150.422 flat angles P-C4'-P energy: -86.585 tors. eta vs tors. theta energy: -102.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1353.782643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.782643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.782643 (E_RNA) where: Base-Base interactions energy: -868.066 where: short stacking energy: -389.382 Base-Backbone interact. energy: 7.656 local terms energy: -493.373470 where: bonds (distance) C4'-P energy: -97.893 bonds (distance) P-C4' energy: -139.630 flat angles C4'-P-C4' energy: -138.471 flat angles P-C4'-P energy: -76.236 tors. eta vs tors. theta energy: -41.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -769.573405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.573405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.573405 (E_RNA) where: Base-Base interactions energy: -342.145 where: short stacking energy: -207.585 Base-Backbone interact. energy: -1.576 local terms energy: -425.852721 where: bonds (distance) C4'-P energy: -145.218 bonds (distance) P-C4' energy: -144.481 flat angles C4'-P-C4' energy: -100.615 flat angles P-C4'-P energy: -46.586 tors. eta vs tors. theta energy: 11.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3035.148070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.148070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.148070 (E_RNA) where: Base-Base interactions energy: -2100.706 where: short stacking energy: -907.443 Base-Backbone interact. energy: -5.561 local terms energy: -928.880593 where: bonds (distance) C4'-P energy: -169.161 bonds (distance) P-C4' energy: -177.148 flat angles C4'-P-C4' energy: -191.572 flat angles P-C4'-P energy: -128.361 tors. eta vs tors. theta energy: -262.639 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -2825.504123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.504123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.504123 (E_RNA) where: Base-Base interactions energy: -1954.762 where: short stacking energy: -826.878 Base-Backbone interact. energy: -2.714 local terms energy: -868.028257 where: bonds (distance) C4'-P energy: -157.611 bonds (distance) P-C4' energy: -163.399 flat angles C4'-P-C4' energy: -183.103 flat angles P-C4'-P energy: -136.953 tors. eta vs tors. theta energy: -226.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2742.303395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.303395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.303395 (E_RNA) where: Base-Base interactions energy: -1869.139 where: short stacking energy: -841.961 Base-Backbone interact. energy: -1.332 local terms energy: -871.832333 where: bonds (distance) C4'-P energy: -160.277 bonds (distance) P-C4' energy: -168.364 flat angles C4'-P-C4' energy: -186.834 flat angles P-C4'-P energy: -116.961 tors. eta vs tors. theta energy: -239.397 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: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -2526.249087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.249087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.249087 (E_RNA) where: Base-Base interactions energy: -1743.547 where: short stacking energy: -780.643 Base-Backbone interact. energy: -1.136 local terms energy: -781.566539 where: bonds (distance) C4'-P energy: -157.101 bonds (distance) P-C4' energy: -151.661 flat angles C4'-P-C4' energy: -169.639 flat angles P-C4'-P energy: -111.375 tors. eta vs tors. theta energy: -191.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2499.252515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.252515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.252515 (E_RNA) where: Base-Base interactions energy: -1706.704 where: short stacking energy: -764.519 Base-Backbone interact. energy: -2.239 local terms energy: -790.310379 where: bonds (distance) C4'-P energy: -148.557 bonds (distance) P-C4' energy: -151.864 flat angles C4'-P-C4' energy: -172.350 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -214.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2272.292156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.292156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.292156 (E_RNA) where: Base-Base interactions energy: -1580.555 where: short stacking energy: -665.996 Base-Backbone interact. energy: 1.530 local terms energy: -693.267133 where: bonds (distance) C4'-P energy: -135.918 bonds (distance) P-C4' energy: -147.128 flat angles C4'-P-C4' energy: -157.362 flat angles P-C4'-P energy: -98.602 tors. eta vs tors. theta energy: -154.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2000.079200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.079200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.079200 (E_RNA) where: Base-Base interactions energy: -1375.891 where: short stacking energy: -589.708 Base-Backbone interact. energy: -2.944 local terms energy: -621.244208 where: bonds (distance) C4'-P energy: -130.202 bonds (distance) P-C4' energy: -122.838 flat angles C4'-P-C4' energy: -156.448 flat angles P-C4'-P energy: -85.678 tors. eta vs tors. theta energy: -126.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1641.131964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.131964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.131964 (E_RNA) where: Base-Base interactions energy: -1039.796 where: short stacking energy: -468.348 Base-Backbone interact. energy: 0.428 local terms energy: -601.764176 where: bonds (distance) C4'-P energy: -130.188 bonds (distance) P-C4' energy: -152.145 flat angles C4'-P-C4' energy: -142.714 flat angles P-C4'-P energy: -81.265 tors. eta vs tors. theta energy: -95.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1301.352162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.352162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.352162 (E_RNA) where: Base-Base interactions energy: -789.115 where: short stacking energy: -385.566 Base-Backbone interact. energy: 0.109 local terms energy: -512.346335 where: bonds (distance) C4'-P energy: -130.061 bonds (distance) P-C4' energy: -121.136 flat angles C4'-P-C4' energy: -133.709 flat angles P-C4'-P energy: -86.931 tors. eta vs tors. theta energy: -40.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -843.386934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.386934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.386934 (E_RNA) where: Base-Base interactions energy: -457.114 where: short stacking energy: -264.544 Base-Backbone interact. energy: 0.757 local terms energy: -387.030558 where: bonds (distance) C4'-P energy: -99.160 bonds (distance) P-C4' energy: -125.586 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -53.046 tors. eta vs tors. theta energy: -8.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3017.813782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.813782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.813782 (E_RNA) where: Base-Base interactions energy: -2110.383 where: short stacking energy: -896.218 Base-Backbone interact. energy: -1.749 local terms energy: -905.682651 where: bonds (distance) C4'-P energy: -161.705 bonds (distance) P-C4' energy: -163.696 flat angles C4'-P-C4' energy: -193.455 flat angles P-C4'-P energy: -130.759 tors. eta vs tors. theta energy: -256.068 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: 10 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -2829.821301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.821301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.821301 (E_RNA) where: Base-Base interactions energy: -1973.788 where: short stacking energy: -826.501 Base-Backbone interact. energy: -2.308 local terms energy: -853.725120 where: bonds (distance) C4'-P energy: -156.844 bonds (distance) P-C4' energy: -142.207 flat angles C4'-P-C4' energy: -191.058 flat angles P-C4'-P energy: -124.572 tors. eta vs tors. theta energy: -239.044 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: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -2699.728006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.728006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.728006 (E_RNA) where: Base-Base interactions energy: -1897.445 where: short stacking energy: -825.717 Base-Backbone interact. energy: 3.560 local terms energy: -805.843087 where: bonds (distance) C4'-P energy: -146.065 bonds (distance) P-C4' energy: -144.162 flat angles C4'-P-C4' energy: -166.900 flat angles P-C4'-P energy: -116.351 tors. eta vs tors. theta energy: -232.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2514.095266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.095266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.095266 (E_RNA) where: Base-Base interactions energy: -1728.645 where: short stacking energy: -788.754 Base-Backbone interact. energy: -4.396 local terms energy: -781.054209 where: bonds (distance) C4'-P energy: -119.207 bonds (distance) P-C4' energy: -153.663 flat angles C4'-P-C4' energy: -185.208 flat angles P-C4'-P energy: -114.699 tors. eta vs tors. theta energy: -208.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2502.627971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.627971 (E_RNA) where: Base-Base interactions energy: -1754.330 where: short stacking energy: -770.418 Base-Backbone interact. energy: -2.062 local terms energy: -746.236575 where: bonds (distance) C4'-P energy: -123.224 bonds (distance) P-C4' energy: -144.384 flat angles C4'-P-C4' energy: -157.909 flat angles P-C4'-P energy: -109.214 tors. eta vs tors. theta energy: -211.505 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: 2 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2325.419955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.419955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.419955 (E_RNA) where: Base-Base interactions energy: -1612.695 where: short stacking energy: -704.835 Base-Backbone interact. energy: -3.647 local terms energy: -709.077849 where: bonds (distance) C4'-P energy: -123.004 bonds (distance) P-C4' energy: -142.770 flat angles C4'-P-C4' energy: -153.516 flat angles P-C4'-P energy: -103.403 tors. eta vs tors. theta energy: -186.385 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: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1924.028744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.028744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.028744 (E_RNA) where: Base-Base interactions energy: -1288.839 where: short stacking energy: -581.853 Base-Backbone interact. energy: 2.488 local terms energy: -637.677942 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -141.516 flat angles C4'-P-C4' energy: -131.204 flat angles P-C4'-P energy: -88.226 tors. eta vs tors. theta energy: -125.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1682.219033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.219033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.219033 (E_RNA) where: Base-Base interactions energy: -1090.364 where: short stacking energy: -500.567 Base-Backbone interact. energy: 7.280 local terms energy: -599.135905 where: bonds (distance) C4'-P energy: -131.222 bonds (distance) P-C4' energy: -145.813 flat angles C4'-P-C4' energy: -146.362 flat angles P-C4'-P energy: -84.077 tors. eta vs tors. theta energy: -91.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1454.544697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.544697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.544697 (E_RNA) where: Base-Base interactions energy: -921.846 where: short stacking energy: -401.383 Base-Backbone interact. energy: 0.761 local terms energy: -533.459428 where: bonds (distance) C4'-P energy: -143.573 bonds (distance) P-C4' energy: -114.331 flat angles C4'-P-C4' energy: -137.140 flat angles P-C4'-P energy: -80.413 tors. eta vs tors. theta energy: -58.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -881.630331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.630331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.630331 (E_RNA) where: Base-Base interactions energy: -492.675 where: short stacking energy: -283.051 Base-Backbone interact. energy: 12.485 local terms energy: -401.440012 where: bonds (distance) C4'-P energy: -104.559 bonds (distance) P-C4' energy: -126.930 flat angles C4'-P-C4' energy: -87.142 flat angles P-C4'-P energy: -62.345 tors. eta vs tors. theta energy: -20.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3048.965672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.965672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.965672 (E_RNA) where: Base-Base interactions energy: -2132.640 where: short stacking energy: -929.097 Base-Backbone interact. energy: -3.196 local terms energy: -913.129392 where: bonds (distance) C4'-P energy: -153.165 bonds (distance) P-C4' energy: -152.395 flat angles C4'-P-C4' energy: -201.387 flat angles P-C4'-P energy: -134.864 tors. eta vs tors. theta energy: -271.318 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: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -2863.073427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.073427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.073427 (E_RNA) where: Base-Base interactions energy: -1993.409 where: short stacking energy: -836.522 Base-Backbone interact. energy: 0.115 local terms energy: -869.779369 where: bonds (distance) C4'-P energy: -157.428 bonds (distance) P-C4' energy: -160.277 flat angles C4'-P-C4' energy: -181.102 flat angles P-C4'-P energy: -125.632 tors. eta vs tors. theta energy: -245.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2757.644942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.644942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.644942 (E_RNA) where: Base-Base interactions energy: -1885.442 where: short stacking energy: -847.819 Base-Backbone interact. energy: 0.540 local terms energy: -872.743294 where: bonds (distance) C4'-P energy: -142.051 bonds (distance) P-C4' energy: -164.239 flat angles C4'-P-C4' energy: -195.211 flat angles P-C4'-P energy: -125.896 tors. eta vs tors. theta energy: -245.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2561.643745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.643745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.643745 (E_RNA) where: Base-Base interactions energy: -1744.024 where: short stacking energy: -804.416 Base-Backbone interact. energy: -2.763 local terms energy: -814.856990 where: bonds (distance) C4'-P energy: -154.010 bonds (distance) P-C4' energy: -144.878 flat angles C4'-P-C4' energy: -180.455 flat angles P-C4'-P energy: -108.906 tors. eta vs tors. theta energy: -226.608 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: 7 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2478.282149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.282149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.282149 (E_RNA) where: Base-Base interactions energy: -1708.902 where: short stacking energy: -750.027 Base-Backbone interact. energy: -3.511 local terms energy: -765.868842 where: bonds (distance) C4'-P energy: -147.817 bonds (distance) P-C4' energy: -143.243 flat angles C4'-P-C4' energy: -178.647 flat angles P-C4'-P energy: -103.347 tors. eta vs tors. theta energy: -192.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2257.781678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.781678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.781678 (E_RNA) where: Base-Base interactions energy: -1513.713 where: short stacking energy: -685.787 Base-Backbone interact. energy: -5.185 local terms energy: -738.883112 where: bonds (distance) C4'-P energy: -158.230 bonds (distance) P-C4' energy: -151.872 flat angles C4'-P-C4' energy: -155.773 flat angles P-C4'-P energy: -98.475 tors. eta vs tors. theta energy: -174.533 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: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1888.606586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.606586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.606586 (E_RNA) where: Base-Base interactions energy: -1283.278 where: short stacking energy: -558.287 Base-Backbone interact. energy: -0.186 local terms energy: -605.142277 where: bonds (distance) C4'-P energy: -125.651 bonds (distance) P-C4' energy: -132.454 flat angles C4'-P-C4' energy: -160.558 flat angles P-C4'-P energy: -88.169 tors. eta vs tors. theta energy: -98.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1693.228206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.228206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.228206 (E_RNA) where: Base-Base interactions energy: -1088.425 where: short stacking energy: -468.895 Base-Backbone interact. energy: -0.107 local terms energy: -604.696313 where: bonds (distance) C4'-P energy: -147.352 bonds (distance) P-C4' energy: -159.324 flat angles C4'-P-C4' energy: -123.983 flat angles P-C4'-P energy: -72.386 tors. eta vs tors. theta energy: -101.652 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: 257 Temperature: 1.300000 Total energy: -1353.700278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.700278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.700278 (E_RNA) where: Base-Base interactions energy: -868.679 where: short stacking energy: -383.149 Base-Backbone interact. energy: -1.611 local terms energy: -483.410139 where: bonds (distance) C4'-P energy: -123.974 bonds (distance) P-C4' energy: -126.764 flat angles C4'-P-C4' energy: -121.830 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -52.941 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: 6 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -928.979078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.979078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.979078 (E_RNA) where: Base-Base interactions energy: -479.915 where: short stacking energy: -264.309 Base-Backbone interact. energy: 2.841 local terms energy: -451.905497 where: bonds (distance) C4'-P energy: -135.104 bonds (distance) P-C4' energy: -132.038 flat angles C4'-P-C4' energy: -107.621 flat angles P-C4'-P energy: -81.128 tors. eta vs tors. theta energy: 3.985 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: 258 Temperature: 0.900000 Total energy: -3060.411004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.411004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.411004 (E_RNA) where: Base-Base interactions energy: -2120.666 where: short stacking energy: -918.468 Base-Backbone interact. energy: 1.082 local terms energy: -940.827164 where: bonds (distance) C4'-P energy: -164.829 bonds (distance) P-C4' energy: -175.265 flat angles C4'-P-C4' energy: -192.544 flat angles P-C4'-P energy: -138.483 tors. eta vs tors. theta energy: -269.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -2859.661966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.661966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.661966 (E_RNA) where: Base-Base interactions energy: -2000.010 where: short stacking energy: -842.262 Base-Backbone interact. energy: -3.637 local terms energy: -856.014274 where: bonds (distance) C4'-P energy: -166.808 bonds (distance) P-C4' energy: -159.987 flat angles C4'-P-C4' energy: -188.599 flat angles P-C4'-P energy: -115.611 tors. eta vs tors. theta energy: -225.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2724.454765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.454765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.454765 (E_RNA) where: Base-Base interactions energy: -1845.154 where: short stacking energy: -821.074 Base-Backbone interact. energy: -1.746 local terms energy: -877.554236 where: bonds (distance) C4'-P energy: -169.844 bonds (distance) P-C4' energy: -153.576 flat angles C4'-P-C4' energy: -189.524 flat angles P-C4'-P energy: -125.496 tors. eta vs tors. theta energy: -239.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2574.710454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.710454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.710454 (E_RNA) where: Base-Base interactions energy: -1774.956 where: short stacking energy: -793.725 Base-Backbone interact. energy: 3.245 local terms energy: -803.000061 where: bonds (distance) C4'-P energy: -148.621 bonds (distance) P-C4' energy: -146.776 flat angles C4'-P-C4' energy: -182.206 flat angles P-C4'-P energy: -107.231 tors. eta vs tors. theta energy: -218.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2462.230489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.230489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.230489 (E_RNA) where: Base-Base interactions energy: -1705.984 where: short stacking energy: -753.650 Base-Backbone interact. energy: 2.417 local terms energy: -758.663903 where: bonds (distance) C4'-P energy: -151.271 bonds (distance) P-C4' energy: -122.150 flat angles C4'-P-C4' energy: -164.218 flat angles P-C4'-P energy: -117.919 tors. eta vs tors. theta energy: -203.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2231.482428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.482428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.482428 (E_RNA) where: Base-Base interactions energy: -1538.082 where: short stacking energy: -659.024 Base-Backbone interact. energy: -1.930 local terms energy: -691.471066 where: bonds (distance) C4'-P energy: -140.853 bonds (distance) P-C4' energy: -151.758 flat angles C4'-P-C4' energy: -149.332 flat angles P-C4'-P energy: -84.381 tors. eta vs tors. theta energy: -165.147 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: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1943.328133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.328133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.328133 (E_RNA) where: Base-Base interactions energy: -1310.407 where: short stacking energy: -560.065 Base-Backbone interact. energy: -0.844 local terms energy: -632.077051 where: bonds (distance) C4'-P energy: -132.472 bonds (distance) P-C4' energy: -144.144 flat angles C4'-P-C4' energy: -145.102 flat angles P-C4'-P energy: -102.582 tors. eta vs tors. theta energy: -107.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1701.857370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.857370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.857370 (E_RNA) where: Base-Base interactions energy: -1143.816 where: short stacking energy: -452.049 Base-Backbone interact. energy: -1.550 local terms energy: -556.491411 where: bonds (distance) C4'-P energy: -115.127 bonds (distance) P-C4' energy: -148.307 flat angles C4'-P-C4' energy: -140.023 flat angles P-C4'-P energy: -83.497 tors. eta vs tors. theta energy: -69.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1330.105173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.105173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.105173 (E_RNA) where: Base-Base interactions energy: -837.546 where: short stacking energy: -383.735 Base-Backbone interact. energy: -0.979 local terms energy: -491.579823 where: bonds (distance) C4'-P energy: -124.088 bonds (distance) P-C4' energy: -149.707 flat angles C4'-P-C4' energy: -124.184 flat angles P-C4'-P energy: -49.133 tors. eta vs tors. theta energy: -44.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -914.048803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.048803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.048803 (E_RNA) where: Base-Base interactions energy: -463.895 where: short stacking energy: -254.716 Base-Backbone interact. energy: -3.416 local terms energy: -446.737795 where: bonds (distance) C4'-P energy: -118.370 bonds (distance) P-C4' energy: -139.057 flat angles C4'-P-C4' energy: -110.642 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: 4.382 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: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3035.911031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.911031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.911031 (E_RNA) where: Base-Base interactions energy: -2132.701 where: short stacking energy: -917.025 Base-Backbone interact. energy: -3.380 local terms energy: -899.829903 where: bonds (distance) C4'-P energy: -149.662 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -198.934 flat angles P-C4'-P energy: -125.873 tors. eta vs tors. theta energy: -266.389 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: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -2907.704562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.704562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.704562 (E_RNA) where: Base-Base interactions energy: -2036.476 where: short stacking energy: -842.234 Base-Backbone interact. energy: -2.188 local terms energy: -869.041210 where: bonds (distance) C4'-P energy: -152.267 bonds (distance) P-C4' energy: -148.367 flat angles C4'-P-C4' energy: -192.807 flat angles P-C4'-P energy: -137.418 tors. eta vs tors. theta energy: -238.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2713.317421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.317421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.317421 (E_RNA) where: Base-Base interactions energy: -1861.043 where: short stacking energy: -827.619 Base-Backbone interact. energy: -1.762 local terms energy: -850.511706 where: bonds (distance) C4'-P energy: -151.140 bonds (distance) P-C4' energy: -161.845 flat angles C4'-P-C4' energy: -178.444 flat angles P-C4'-P energy: -117.990 tors. eta vs tors. theta energy: -241.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2577.789791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.789791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.789791 (E_RNA) where: Base-Base interactions energy: -1781.976 where: short stacking energy: -800.563 Base-Backbone interact. energy: 1.867 local terms energy: -797.680656 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -147.714 flat angles C4'-P-C4' energy: -178.000 flat angles P-C4'-P energy: -102.045 tors. eta vs tors. theta energy: -220.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2440.219209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.219209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.219209 (E_RNA) where: Base-Base interactions energy: -1673.393 where: short stacking energy: -700.394 Base-Backbone interact. energy: -4.463 local terms energy: -762.363170 where: bonds (distance) C4'-P energy: -154.120 bonds (distance) P-C4' energy: -152.543 flat angles C4'-P-C4' energy: -174.903 flat angles P-C4'-P energy: -111.901 tors. eta vs tors. theta energy: -168.897 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: 2 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2230.013552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.013552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.013552 (E_RNA) where: Base-Base interactions energy: -1501.694 where: short stacking energy: -642.421 Base-Backbone interact. energy: 2.308 local terms energy: -730.627023 where: bonds (distance) C4'-P energy: -159.195 bonds (distance) P-C4' energy: -169.442 flat angles C4'-P-C4' energy: -153.650 flat angles P-C4'-P energy: -109.526 tors. eta vs tors. theta energy: -138.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1963.384278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.384278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.384278 (E_RNA) where: Base-Base interactions energy: -1313.595 where: short stacking energy: -546.851 Base-Backbone interact. energy: 3.099 local terms energy: -652.887722 where: bonds (distance) C4'-P energy: -135.346 bonds (distance) P-C4' energy: -149.663 flat angles C4'-P-C4' energy: -149.843 flat angles P-C4'-P energy: -91.667 tors. eta vs tors. theta energy: -126.368 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: 259 Temperature: 1.250000 Total energy: -1580.427964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.427964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.427964 (E_RNA) where: Base-Base interactions energy: -1031.336 where: short stacking energy: -471.384 Base-Backbone interact. energy: -0.600 local terms energy: -548.492051 where: bonds (distance) C4'-P energy: -126.756 bonds (distance) P-C4' energy: -121.779 flat angles C4'-P-C4' energy: -130.846 flat angles P-C4'-P energy: -76.890 tors. eta vs tors. theta energy: -92.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1311.026806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.026806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.026806 (E_RNA) where: Base-Base interactions energy: -796.028 where: short stacking energy: -394.239 Base-Backbone interact. energy: -2.265 local terms energy: -512.733873 where: bonds (distance) C4'-P energy: -138.238 bonds (distance) P-C4' energy: -126.272 flat angles C4'-P-C4' energy: -126.616 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: -59.510 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: 6 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -908.196624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.196624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.196624 (E_RNA) where: Base-Base interactions energy: -477.875 where: short stacking energy: -277.512 Base-Backbone interact. energy: 4.199 local terms energy: -434.521291 where: bonds (distance) C4'-P energy: -119.917 bonds (distance) P-C4' energy: -126.898 flat angles C4'-P-C4' energy: -111.951 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -14.044 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: 260 Temperature: 0.900000 Total energy: -3052.416357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.416357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.416357 (E_RNA) where: Base-Base interactions energy: -2111.045 where: short stacking energy: -914.342 Base-Backbone interact. energy: -5.333 local terms energy: -936.038051 where: bonds (distance) C4'-P energy: -160.719 bonds (distance) P-C4' energy: -170.853 flat angles C4'-P-C4' energy: -204.983 flat angles P-C4'-P energy: -127.798 tors. eta vs tors. theta energy: -271.685 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: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -2898.257323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.257323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.257323 (E_RNA) where: Base-Base interactions energy: -2011.482 where: short stacking energy: -854.624 Base-Backbone interact. energy: -3.892 local terms energy: -882.883401 where: bonds (distance) C4'-P energy: -153.334 bonds (distance) P-C4' energy: -155.989 flat angles C4'-P-C4' energy: -204.792 flat angles P-C4'-P energy: -134.928 tors. eta vs tors. theta energy: -233.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2715.717637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.717637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.717637 (E_RNA) where: Base-Base interactions energy: -1857.118 where: short stacking energy: -856.022 Base-Backbone interact. energy: 3.157 local terms energy: -861.757356 where: bonds (distance) C4'-P energy: -161.711 bonds (distance) P-C4' energy: -144.851 flat angles C4'-P-C4' energy: -185.762 flat angles P-C4'-P energy: -118.073 tors. eta vs tors. theta energy: -251.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2558.396342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.396342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.396342 (E_RNA) where: Base-Base interactions energy: -1760.135 where: short stacking energy: -784.284 Base-Backbone interact. energy: -0.982 local terms energy: -797.279056 where: bonds (distance) C4'-P energy: -133.189 bonds (distance) P-C4' energy: -148.971 flat angles C4'-P-C4' energy: -178.574 flat angles P-C4'-P energy: -122.174 tors. eta vs tors. theta energy: -214.371 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: 7 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2413.985502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.985502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.985502 (E_RNA) where: Base-Base interactions energy: -1660.063 where: short stacking energy: -720.783 Base-Backbone interact. energy: -1.947 local terms energy: -751.974974 where: bonds (distance) C4'-P energy: -139.526 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -168.503 flat angles P-C4'-P energy: -126.556 tors. eta vs tors. theta energy: -180.183 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: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2250.004462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.004462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.004462 (E_RNA) where: Base-Base interactions energy: -1541.884 where: short stacking energy: -670.699 Base-Backbone interact. energy: -3.035 local terms energy: -705.085363 where: bonds (distance) C4'-P energy: -136.915 bonds (distance) P-C4' energy: -164.204 flat angles C4'-P-C4' energy: -160.074 flat angles P-C4'-P energy: -80.468 tors. eta vs tors. theta energy: -163.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1905.190331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.190331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.190331 (E_RNA) where: Base-Base interactions energy: -1282.155 where: short stacking energy: -545.347 Base-Backbone interact. energy: 4.168 local terms energy: -627.203360 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -144.398 flat angles C4'-P-C4' energy: -158.036 flat angles P-C4'-P energy: -75.377 tors. eta vs tors. theta energy: -109.801 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: 260 Temperature: 1.250000 Total energy: -1527.612566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.612566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.612566 (E_RNA) where: Base-Base interactions energy: -952.556 where: short stacking energy: -418.511 Base-Backbone interact. energy: -3.125 local terms energy: -571.931205 where: bonds (distance) C4'-P energy: -133.679 bonds (distance) P-C4' energy: -146.282 flat angles C4'-P-C4' energy: -129.912 flat angles P-C4'-P energy: -84.984 tors. eta vs tors. theta energy: -77.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1322.695807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.695807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.695807 (E_RNA) where: Base-Base interactions energy: -780.070 where: short stacking energy: -360.559 Base-Backbone interact. energy: -1.277 local terms energy: -541.348237 where: bonds (distance) C4'-P energy: -118.844 bonds (distance) P-C4' energy: -156.177 flat angles C4'-P-C4' energy: -128.506 flat angles P-C4'-P energy: -88.385 tors. eta vs tors. theta energy: -49.435 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: 260 Temperature: 1.350000 Total energy: -804.944865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.944865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.944865 (E_RNA) where: Base-Base interactions energy: -385.455 where: short stacking energy: -273.779 Base-Backbone interact. energy: -3.157 local terms energy: -416.333427 where: bonds (distance) C4'-P energy: -128.184 bonds (distance) P-C4' energy: -126.168 flat angles C4'-P-C4' energy: -123.960 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: 3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3015.757056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.757056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.757056 (E_RNA) where: Base-Base interactions energy: -2135.316 where: short stacking energy: -925.754 Base-Backbone interact. energy: -1.287 local terms energy: -879.154376 where: bonds (distance) C4'-P energy: -151.080 bonds (distance) P-C4' energy: -159.087 flat angles C4'-P-C4' energy: -191.133 flat angles P-C4'-P energy: -117.272 tors. eta vs tors. theta energy: -260.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -2921.020457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.020457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.020457 (E_RNA) where: Base-Base interactions energy: -2089.648 where: short stacking energy: -859.503 Base-Backbone interact. energy: 1.317 local terms energy: -832.688656 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -151.847 flat angles C4'-P-C4' energy: -184.606 flat angles P-C4'-P energy: -123.490 tors. eta vs tors. theta energy: -232.925 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: 5 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2704.662014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.662014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.662014 (E_RNA) where: Base-Base interactions energy: -1830.691 where: short stacking energy: -854.347 Base-Backbone interact. energy: -4.006 local terms energy: -869.965269 where: bonds (distance) C4'-P energy: -145.827 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -185.775 flat angles P-C4'-P energy: -129.479 tors. eta vs tors. theta energy: -257.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2584.400390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.400390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.400390 (E_RNA) where: Base-Base interactions energy: -1795.727 where: short stacking energy: -803.722 Base-Backbone interact. energy: 0.642 local terms energy: -789.315439 where: bonds (distance) C4'-P energy: -141.884 bonds (distance) P-C4' energy: -126.449 flat angles C4'-P-C4' energy: -167.606 flat angles P-C4'-P energy: -121.655 tors. eta vs tors. theta energy: -231.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2431.217382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2431.217382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2431.217382 (E_RNA) where: Base-Base interactions energy: -1654.042 where: short stacking energy: -707.053 Base-Backbone interact. energy: -4.723 local terms energy: -772.452152 where: bonds (distance) C4'-P energy: -156.847 bonds (distance) P-C4' energy: -154.764 flat angles C4'-P-C4' energy: -170.113 flat angles P-C4'-P energy: -116.399 tors. eta vs tors. theta energy: -174.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2275.308238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.308238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.308238 (E_RNA) where: Base-Base interactions energy: -1523.747 where: short stacking energy: -669.438 Base-Backbone interact. energy: -4.646 local terms energy: -746.915086 where: bonds (distance) C4'-P energy: -141.610 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -168.846 flat angles P-C4'-P energy: -103.343 tors. eta vs tors. theta energy: -173.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1965.251452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.251452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.251452 (E_RNA) where: Base-Base interactions energy: -1311.317 where: short stacking energy: -547.772 Base-Backbone interact. energy: 2.282 local terms energy: -656.216197 where: bonds (distance) C4'-P energy: -146.584 bonds (distance) P-C4' energy: -163.900 flat angles C4'-P-C4' energy: -154.033 flat angles P-C4'-P energy: -83.530 tors. eta vs tors. theta energy: -108.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1583.268177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.268177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.268177 (E_RNA) where: Base-Base interactions energy: -1015.687 where: short stacking energy: -482.026 Base-Backbone interact. energy: 2.535 local terms energy: -570.116798 where: bonds (distance) C4'-P energy: -137.498 bonds (distance) P-C4' energy: -137.166 flat angles C4'-P-C4' energy: -128.288 flat angles P-C4'-P energy: -77.474 tors. eta vs tors. theta energy: -89.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1361.873927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.873927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.873927 (E_RNA) where: Base-Base interactions energy: -811.149 where: short stacking energy: -367.840 Base-Backbone interact. energy: -1.975 local terms energy: -548.749808 where: bonds (distance) C4'-P energy: -134.079 bonds (distance) P-C4' energy: -133.289 flat angles C4'-P-C4' energy: -136.290 flat angles P-C4'-P energy: -92.903 tors. eta vs tors. theta energy: -52.189 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: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -850.759961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.759961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.759961 (E_RNA) where: Base-Base interactions energy: -394.169 where: short stacking energy: -223.913 Base-Backbone interact. energy: -1.162 local terms energy: -455.428427 where: bonds (distance) C4'-P energy: -118.352 bonds (distance) P-C4' energy: -147.752 flat angles C4'-P-C4' energy: -119.342 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: 3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3024.174173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.174173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.174173 (E_RNA) where: Base-Base interactions energy: -2092.173 where: short stacking energy: -898.369 Base-Backbone interact. energy: -0.041 local terms energy: -931.959930 where: bonds (distance) C4'-P energy: -167.860 bonds (distance) P-C4' energy: -184.006 flat angles C4'-P-C4' energy: -190.405 flat angles P-C4'-P energy: -131.012 tors. eta vs tors. theta energy: -258.676 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: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -2901.774041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.774041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.774041 (E_RNA) where: Base-Base interactions energy: -2027.971 where: short stacking energy: -852.754 Base-Backbone interact. energy: -2.269 local terms energy: -871.533634 where: bonds (distance) C4'-P energy: -160.789 bonds (distance) P-C4' energy: -157.028 flat angles C4'-P-C4' energy: -192.367 flat angles P-C4'-P energy: -119.504 tors. eta vs tors. theta energy: -241.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -2724.079929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.079929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.079929 (E_RNA) where: Base-Base interactions energy: -1879.055 where: short stacking energy: -852.953 Base-Backbone interact. energy: -3.296 local terms energy: -841.728602 where: bonds (distance) C4'-P energy: -153.599 bonds (distance) P-C4' energy: -142.376 flat angles C4'-P-C4' energy: -183.522 flat angles P-C4'-P energy: -115.628 tors. eta vs tors. theta energy: -246.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -2573.649638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.649638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.649638 (E_RNA) where: Base-Base interactions energy: -1780.856 where: short stacking energy: -791.280 Base-Backbone interact. energy: 0.939 local terms energy: -793.732408 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -158.149 flat angles C4'-P-C4' energy: -170.644 flat angles P-C4'-P energy: -97.917 tors. eta vs tors. theta energy: -232.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2375.388399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.388399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.388399 (E_RNA) where: Base-Base interactions energy: -1606.990 where: short stacking energy: -669.086 Base-Backbone interact. energy: -3.877 local terms energy: -764.522322 where: bonds (distance) C4'-P energy: -160.165 bonds (distance) P-C4' energy: -136.356 flat angles C4'-P-C4' energy: -166.537 flat angles P-C4'-P energy: -112.385 tors. eta vs tors. theta energy: -189.080 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: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2262.407257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.407257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.407257 (E_RNA) where: Base-Base interactions energy: -1562.814 where: short stacking energy: -686.927 Base-Backbone interact. energy: -1.072 local terms energy: -698.520450 where: bonds (distance) C4'-P energy: -123.528 bonds (distance) P-C4' energy: -129.629 flat angles C4'-P-C4' energy: -158.550 flat angles P-C4'-P energy: -114.964 tors. eta vs tors. theta energy: -171.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2051.617731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.617731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.617731 (E_RNA) where: Base-Base interactions energy: -1413.631 where: short stacking energy: -597.708 Base-Backbone interact. energy: -1.500 local terms energy: -636.486544 where: bonds (distance) C4'-P energy: -118.604 bonds (distance) P-C4' energy: -142.817 flat angles C4'-P-C4' energy: -155.107 flat angles P-C4'-P energy: -89.286 tors. eta vs tors. theta energy: -130.672 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: 4 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1584.143857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.143857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.143857 (E_RNA) where: Base-Base interactions energy: -1009.012 where: short stacking energy: -482.096 Base-Backbone interact. energy: -3.418 local terms energy: -571.713629 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -129.041 flat angles P-C4'-P energy: -82.165 tors. eta vs tors. theta energy: -81.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1345.857940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.857940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.857940 (E_RNA) where: Base-Base interactions energy: -802.125 where: short stacking energy: -352.463 Base-Backbone interact. energy: -2.475 local terms energy: -541.257809 where: bonds (distance) C4'-P energy: -148.644 bonds (distance) P-C4' energy: -147.019 flat angles C4'-P-C4' energy: -118.619 flat angles P-C4'-P energy: -95.271 tors. eta vs tors. theta energy: -31.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -838.750128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.750128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.750128 (E_RNA) where: Base-Base interactions energy: -404.063 where: short stacking energy: -236.332 Base-Backbone interact. energy: 0.804 local terms energy: -435.491072 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -125.867 flat angles C4'-P-C4' energy: -130.309 flat angles P-C4'-P energy: -40.941 tors. eta vs tors. theta energy: 3.436 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: 1, replica: 1 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3023.284021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.284021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.284021 (E_RNA) where: Base-Base interactions energy: -2103.131 where: short stacking energy: -925.201 Base-Backbone interact. energy: -4.994 local terms energy: -915.159358 where: bonds (distance) C4'-P energy: -156.430 bonds (distance) P-C4' energy: -171.258 flat angles C4'-P-C4' energy: -197.783 flat angles P-C4'-P energy: -124.714 tors. eta vs tors. theta energy: -264.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -2899.530679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.530679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.530679 (E_RNA) where: Base-Base interactions energy: -2052.716 where: short stacking energy: -893.833 Base-Backbone interact. energy: -3.564 local terms energy: -843.250522 where: bonds (distance) C4'-P energy: -148.732 bonds (distance) P-C4' energy: -153.958 flat angles C4'-P-C4' energy: -181.919 flat angles P-C4'-P energy: -118.903 tors. eta vs tors. theta energy: -239.738 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: 5 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -2774.319733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.319733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.319733 (E_RNA) where: Base-Base interactions energy: -1898.146 where: short stacking energy: -861.006 Base-Backbone interact. energy: -3.151 local terms energy: -873.023084 where: bonds (distance) C4'-P energy: -152.475 bonds (distance) P-C4' energy: -171.242 flat angles C4'-P-C4' energy: -178.563 flat angles P-C4'-P energy: -125.426 tors. eta vs tors. theta energy: -245.318 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: 3 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2592.192651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.192651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.192651 (E_RNA) where: Base-Base interactions energy: -1796.381 where: short stacking energy: -812.189 Base-Backbone interact. energy: -0.774 local terms energy: -795.037030 where: bonds (distance) C4'-P energy: -145.842 bonds (distance) P-C4' energy: -148.303 flat angles C4'-P-C4' energy: -161.753 flat angles P-C4'-P energy: -106.957 tors. eta vs tors. theta energy: -232.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2400.105146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.105146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.105146 (E_RNA) where: Base-Base interactions energy: -1640.852 where: short stacking energy: -698.262 Base-Backbone interact. energy: -1.311 local terms energy: -757.941438 where: bonds (distance) C4'-P energy: -162.576 bonds (distance) P-C4' energy: -137.285 flat angles C4'-P-C4' energy: -152.728 flat angles P-C4'-P energy: -119.200 tors. eta vs tors. theta energy: -186.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2243.967715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.967715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.967715 (E_RNA) where: Base-Base interactions energy: -1515.341 where: short stacking energy: -652.496 Base-Backbone interact. energy: -1.797 local terms energy: -726.829718 where: bonds (distance) C4'-P energy: -152.595 bonds (distance) P-C4' energy: -150.606 flat angles C4'-P-C4' energy: -171.379 flat angles P-C4'-P energy: -101.550 tors. eta vs tors. theta energy: -150.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1998.927234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.927234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.927234 (E_RNA) where: Base-Base interactions energy: -1373.707 where: short stacking energy: -560.844 Base-Backbone interact. energy: 0.488 local terms energy: -625.707770 where: bonds (distance) C4'-P energy: -136.885 bonds (distance) P-C4' energy: -139.135 flat angles C4'-P-C4' energy: -150.730 flat angles P-C4'-P energy: -90.417 tors. eta vs tors. theta energy: -108.541 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: 263 Temperature: 1.250000 Total energy: -1571.252621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.252621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.252621 (E_RNA) where: Base-Base interactions energy: -975.342 where: short stacking energy: -469.069 Base-Backbone interact. energy: 3.973 local terms energy: -599.883681 where: bonds (distance) C4'-P energy: -131.187 bonds (distance) P-C4' energy: -141.339 flat angles C4'-P-C4' energy: -150.879 flat angles P-C4'-P energy: -70.643 tors. eta vs tors. theta energy: -105.836 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: 9, replica: 8 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1318.634142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.634142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.634142 (E_RNA) where: Base-Base interactions energy: -812.296 where: short stacking energy: -376.745 Base-Backbone interact. energy: 6.298 local terms energy: -512.636993 where: bonds (distance) C4'-P energy: -119.758 bonds (distance) P-C4' energy: -131.005 flat angles C4'-P-C4' energy: -141.724 flat angles P-C4'-P energy: -76.333 tors. eta vs tors. theta energy: -43.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -808.687041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.687041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.687041 (E_RNA) where: Base-Base interactions energy: -383.580 where: short stacking energy: -243.048 Base-Backbone interact. energy: 5.473 local terms energy: -430.579447 where: bonds (distance) C4'-P energy: -115.107 bonds (distance) P-C4' energy: -122.614 flat angles C4'-P-C4' energy: -133.838 flat angles P-C4'-P energy: -68.174 tors. eta vs tors. theta energy: 9.155 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: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3011.870309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.870309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.870309 (E_RNA) where: Base-Base interactions energy: -2097.057 where: short stacking energy: -921.145 Base-Backbone interact. energy: -2.798 local terms energy: -912.015356 where: bonds (distance) C4'-P energy: -151.624 bonds (distance) P-C4' energy: -180.454 flat angles C4'-P-C4' energy: -183.284 flat angles P-C4'-P energy: -128.063 tors. eta vs tors. theta energy: -268.590 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: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -2916.006302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.006302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.006302 (E_RNA) where: Base-Base interactions energy: -2029.248 where: short stacking energy: -882.118 Base-Backbone interact. energy: -1.477 local terms energy: -885.281622 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -151.949 flat angles C4'-P-C4' energy: -188.108 flat angles P-C4'-P energy: -120.208 tors. eta vs tors. theta energy: -260.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -2735.748297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.748297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.748297 (E_RNA) where: Base-Base interactions energy: -1876.723 where: short stacking energy: -857.673 Base-Backbone interact. energy: -0.361 local terms energy: -858.664305 where: bonds (distance) C4'-P energy: -156.146 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -175.783 flat angles P-C4'-P energy: -138.419 tors. eta vs tors. theta energy: -256.591 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: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -2606.988443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.988443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.988443 (E_RNA) where: Base-Base interactions energy: -1767.834 where: short stacking energy: -792.017 Base-Backbone interact. energy: -0.935 local terms energy: -838.219958 where: bonds (distance) C4'-P energy: -158.177 bonds (distance) P-C4' energy: -149.876 flat angles C4'-P-C4' energy: -189.360 flat angles P-C4'-P energy: -115.119 tors. eta vs tors. theta energy: -225.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2474.717933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.717933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.717933 (E_RNA) where: Base-Base interactions energy: -1691.904 where: short stacking energy: -715.225 Base-Backbone interact. energy: 0.221 local terms energy: -783.035484 where: bonds (distance) C4'-P energy: -142.988 bonds (distance) P-C4' energy: -144.594 flat angles C4'-P-C4' energy: -171.055 flat angles P-C4'-P energy: -130.391 tors. eta vs tors. theta energy: -194.008 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: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2243.857068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2243.857068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2243.857068 (E_RNA) where: Base-Base interactions energy: -1550.047 where: short stacking energy: -647.517 Base-Backbone interact. energy: -2.146 local terms energy: -691.664344 where: bonds (distance) C4'-P energy: -120.868 bonds (distance) P-C4' energy: -160.376 flat angles C4'-P-C4' energy: -160.986 flat angles P-C4'-P energy: -90.079 tors. eta vs tors. theta energy: -159.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2041.815587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.815587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.815587 (E_RNA) where: Base-Base interactions energy: -1422.340 where: short stacking energy: -590.759 Base-Backbone interact. energy: 6.699 local terms energy: -626.174714 where: bonds (distance) C4'-P energy: -128.198 bonds (distance) P-C4' energy: -135.988 flat angles C4'-P-C4' energy: -158.748 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -116.780 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: 8, replica: 4 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1552.209891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.209891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.209891 (E_RNA) where: Base-Base interactions energy: -967.837 where: short stacking energy: -434.368 Base-Backbone interact. energy: 4.041 local terms energy: -588.414362 where: bonds (distance) C4'-P energy: -139.820 bonds (distance) P-C4' energy: -148.107 flat angles C4'-P-C4' energy: -142.057 flat angles P-C4'-P energy: -90.455 tors. eta vs tors. theta energy: -67.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1323.455014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.455014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.455014 (E_RNA) where: Base-Base interactions energy: -816.731 where: short stacking energy: -387.863 Base-Backbone interact. energy: 0.028 local terms energy: -506.752524 where: bonds (distance) C4'-P energy: -129.833 bonds (distance) P-C4' energy: -133.324 flat angles C4'-P-C4' energy: -110.354 flat angles P-C4'-P energy: -86.356 tors. eta vs tors. theta energy: -46.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -851.404110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.404110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.404110 (E_RNA) where: Base-Base interactions energy: -426.946 where: short stacking energy: -259.906 Base-Backbone interact. energy: 5.435 local terms energy: -429.893357 where: bonds (distance) C4'-P energy: -133.305 bonds (distance) P-C4' energy: -104.602 flat angles C4'-P-C4' energy: -100.876 flat angles P-C4'-P energy: -69.744 tors. eta vs tors. theta energy: -21.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3029.072130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.072130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.072130 (E_RNA) where: Base-Base interactions energy: -2104.962 where: short stacking energy: -914.637 Base-Backbone interact. energy: -4.503 local terms energy: -919.606753 where: bonds (distance) C4'-P energy: -162.637 bonds (distance) P-C4' energy: -173.926 flat angles C4'-P-C4' energy: -190.450 flat angles P-C4'-P energy: -126.037 tors. eta vs tors. theta energy: -266.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -2902.088199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.088199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.088199 (E_RNA) where: Base-Base interactions energy: -2038.639 where: short stacking energy: -875.412 Base-Backbone interact. energy: -0.204 local terms energy: -863.245153 where: bonds (distance) C4'-P energy: -149.545 bonds (distance) P-C4' energy: -163.274 flat angles C4'-P-C4' energy: -181.196 flat angles P-C4'-P energy: -131.413 tors. eta vs tors. theta energy: -237.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -2759.224779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.224779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.224779 (E_RNA) where: Base-Base interactions energy: -1882.680 where: short stacking energy: -871.619 Base-Backbone interact. energy: -5.163 local terms energy: -871.381906 where: bonds (distance) C4'-P energy: -156.339 bonds (distance) P-C4' energy: -160.395 flat angles C4'-P-C4' energy: -175.103 flat angles P-C4'-P energy: -130.780 tors. eta vs tors. theta energy: -248.766 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: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -2575.740124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.740124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.740124 (E_RNA) where: Base-Base interactions energy: -1756.867 where: short stacking energy: -780.263 Base-Backbone interact. energy: -1.932 local terms energy: -816.940858 where: bonds (distance) C4'-P energy: -172.414 bonds (distance) P-C4' energy: -154.327 flat angles C4'-P-C4' energy: -173.183 flat angles P-C4'-P energy: -107.448 tors. eta vs tors. theta energy: -209.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2421.666419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.666419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.666419 (E_RNA) where: Base-Base interactions energy: -1684.366 where: short stacking energy: -695.552 Base-Backbone interact. energy: -4.391 local terms energy: -732.908885 where: bonds (distance) C4'-P energy: -145.096 bonds (distance) P-C4' energy: -142.254 flat angles C4'-P-C4' energy: -164.827 flat angles P-C4'-P energy: -110.647 tors. eta vs tors. theta energy: -170.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2189.857210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.857210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.857210 (E_RNA) where: Base-Base interactions energy: -1509.945 where: short stacking energy: -646.653 Base-Backbone interact. energy: 3.100 local terms energy: -683.011710 where: bonds (distance) C4'-P energy: -115.212 bonds (distance) P-C4' energy: -160.687 flat angles C4'-P-C4' energy: -156.794 flat angles P-C4'-P energy: -99.009 tors. eta vs tors. theta energy: -151.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2089.733694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.733694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.733694 (E_RNA) where: Base-Base interactions energy: -1432.166 where: short stacking energy: -608.477 Base-Backbone interact. energy: -2.125 local terms energy: -655.442292 where: bonds (distance) C4'-P energy: -134.880 bonds (distance) P-C4' energy: -140.868 flat angles C4'-P-C4' energy: -174.470 flat angles P-C4'-P energy: -71.856 tors. eta vs tors. theta energy: -133.368 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: 265 Temperature: 1.250000 Total energy: -1587.923750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.923750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.923750 (E_RNA) where: Base-Base interactions energy: -1004.698 where: short stacking energy: -463.139 Base-Backbone interact. energy: -0.317 local terms energy: -582.908457 where: bonds (distance) C4'-P energy: -145.614 bonds (distance) P-C4' energy: -137.059 flat angles C4'-P-C4' energy: -138.962 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -86.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1279.213366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.213366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.213366 (E_RNA) where: Base-Base interactions energy: -752.027 where: short stacking energy: -354.246 Base-Backbone interact. energy: -0.192 local terms energy: -526.994377 where: bonds (distance) C4'-P energy: -122.204 bonds (distance) P-C4' energy: -142.624 flat angles C4'-P-C4' energy: -126.753 flat angles P-C4'-P energy: -79.019 tors. eta vs tors. theta energy: -56.394 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: 265 Temperature: 1.350000 Total energy: -845.981258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.981258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.981258 (E_RNA) where: Base-Base interactions energy: -425.902 where: short stacking energy: -276.076 Base-Backbone interact. energy: -0.453 local terms energy: -419.626943 where: bonds (distance) C4'-P energy: -126.692 bonds (distance) P-C4' energy: -140.308 flat angles C4'-P-C4' energy: -112.542 flat angles P-C4'-P energy: -39.303 tors. eta vs tors. theta energy: -0.782 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: 266 Temperature: 0.900000 Total energy: -3047.319385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.319385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.319385 (E_RNA) where: Base-Base interactions energy: -2111.678 where: short stacking energy: -938.160 Base-Backbone interact. energy: -3.649 local terms energy: -931.992952 where: bonds (distance) C4'-P energy: -158.311 bonds (distance) P-C4' energy: -172.949 flat angles C4'-P-C4' energy: -196.694 flat angles P-C4'-P energy: -129.915 tors. eta vs tors. theta energy: -274.123 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: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -2905.272047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.272047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.272047 (E_RNA) where: Base-Base interactions energy: -2021.106 where: short stacking energy: -876.301 Base-Backbone interact. energy: -4.858 local terms energy: -879.307757 where: bonds (distance) C4'-P energy: -165.130 bonds (distance) P-C4' energy: -165.919 flat angles C4'-P-C4' energy: -192.629 flat angles P-C4'-P energy: -104.459 tors. eta vs tors. theta energy: -251.171 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: 5 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -2730.017923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.017923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.017923 (E_RNA) where: Base-Base interactions energy: -1869.996 where: short stacking energy: -869.776 Base-Backbone interact. energy: -4.783 local terms energy: -855.238914 where: bonds (distance) C4'-P energy: -149.558 bonds (distance) P-C4' energy: -154.380 flat angles C4'-P-C4' energy: -174.694 flat angles P-C4'-P energy: -131.311 tors. eta vs tors. theta energy: -245.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2571.477795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.477795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.477795 (E_RNA) where: Base-Base interactions energy: -1733.406 where: short stacking energy: -795.688 Base-Backbone interact. energy: -1.956 local terms energy: -836.116027 where: bonds (distance) C4'-P energy: -143.258 bonds (distance) P-C4' energy: -153.734 flat angles C4'-P-C4' energy: -188.011 flat angles P-C4'-P energy: -117.295 tors. eta vs tors. theta energy: -233.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2442.757137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.757137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.757137 (E_RNA) where: Base-Base interactions energy: -1684.028 where: short stacking energy: -705.715 Base-Backbone interact. energy: -1.379 local terms energy: -757.349712 where: bonds (distance) C4'-P energy: -147.127 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -172.641 flat angles P-C4'-P energy: -109.606 tors. eta vs tors. theta energy: -175.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2271.344749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.344749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.344749 (E_RNA) where: Base-Base interactions energy: -1525.544 where: short stacking energy: -703.923 Base-Backbone interact. energy: -3.714 local terms energy: -742.086688 where: bonds (distance) C4'-P energy: -141.078 bonds (distance) P-C4' energy: -137.742 flat angles C4'-P-C4' energy: -166.855 flat angles P-C4'-P energy: -94.410 tors. eta vs tors. theta energy: -202.002 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: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2038.009058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.009058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.009058 (E_RNA) where: Base-Base interactions energy: -1398.428 where: short stacking energy: -594.667 Base-Backbone interact. energy: -1.571 local terms energy: -638.011005 where: bonds (distance) C4'-P energy: -129.280 bonds (distance) P-C4' energy: -145.067 flat angles C4'-P-C4' energy: -151.904 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -124.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1641.280827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.280827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.280827 (E_RNA) where: Base-Base interactions energy: -1054.596 where: short stacking energy: -493.653 Base-Backbone interact. energy: -3.644 local terms energy: -583.041048 where: bonds (distance) C4'-P energy: -126.857 bonds (distance) P-C4' energy: -145.825 flat angles C4'-P-C4' energy: -135.852 flat angles P-C4'-P energy: -92.379 tors. eta vs tors. theta energy: -82.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1225.040024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.040024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.040024 (E_RNA) where: Base-Base interactions energy: -719.123 where: short stacking energy: -347.344 Base-Backbone interact. energy: 1.055 local terms energy: -506.972064 where: bonds (distance) C4'-P energy: -131.448 bonds (distance) P-C4' energy: -136.785 flat angles C4'-P-C4' energy: -129.860 flat angles P-C4'-P energy: -67.217 tors. eta vs tors. theta energy: -41.661 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: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -901.488784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.488784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.488784 (E_RNA) where: Base-Base interactions energy: -447.579 where: short stacking energy: -262.446 Base-Backbone interact. energy: -1.314 local terms energy: -452.595521 where: bonds (distance) C4'-P energy: -134.338 bonds (distance) P-C4' energy: -126.461 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -84.829 tors. eta vs tors. theta energy: 1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3037.587386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.587386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.587386 (E_RNA) where: Base-Base interactions energy: -2100.239 where: short stacking energy: -920.134 Base-Backbone interact. energy: -4.455 local terms energy: -932.894184 where: bonds (distance) C4'-P energy: -173.859 bonds (distance) P-C4' energy: -162.284 flat angles C4'-P-C4' energy: -197.446 flat angles P-C4'-P energy: -126.451 tors. eta vs tors. theta energy: -272.855 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: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -2909.963670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.963670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.963670 (E_RNA) where: Base-Base interactions energy: -2032.195 where: short stacking energy: -871.644 Base-Backbone interact. energy: -3.287 local terms energy: -874.482523 where: bonds (distance) C4'-P energy: -161.494 bonds (distance) P-C4' energy: -172.848 flat angles C4'-P-C4' energy: -177.229 flat angles P-C4'-P energy: -111.270 tors. eta vs tors. theta energy: -251.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2752.241519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.241519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.241519 (E_RNA) where: Base-Base interactions energy: -1918.905 where: short stacking energy: -850.817 Base-Backbone interact. energy: -1.024 local terms energy: -832.312221 where: bonds (distance) C4'-P energy: -136.043 bonds (distance) P-C4' energy: -164.731 flat angles C4'-P-C4' energy: -186.341 flat angles P-C4'-P energy: -100.166 tors. eta vs tors. theta energy: -245.031 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: 3 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2577.592782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.592782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.592782 (E_RNA) where: Base-Base interactions energy: -1764.991 where: short stacking energy: -779.028 Base-Backbone interact. energy: 2.697 local terms energy: -815.299370 where: bonds (distance) C4'-P energy: -150.906 bonds (distance) P-C4' energy: -139.074 flat angles C4'-P-C4' energy: -186.262 flat angles P-C4'-P energy: -116.965 tors. eta vs tors. theta energy: -222.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2395.293693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.293693 (E_RNA) where: Base-Base interactions energy: -1688.561 where: short stacking energy: -699.852 Base-Backbone interact. energy: -0.928 local terms energy: -705.804369 where: bonds (distance) C4'-P energy: -134.135 bonds (distance) P-C4' energy: -142.982 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -98.829 tors. eta vs tors. theta energy: -164.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2231.867434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.867434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.867434 (E_RNA) where: Base-Base interactions energy: -1500.614 where: short stacking energy: -685.688 Base-Backbone interact. energy: -4.894 local terms energy: -726.359586 where: bonds (distance) C4'-P energy: -136.590 bonds (distance) P-C4' energy: -151.285 flat angles C4'-P-C4' energy: -157.588 flat angles P-C4'-P energy: -107.144 tors. eta vs tors. theta energy: -173.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1969.544302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.544302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.544302 (E_RNA) where: Base-Base interactions energy: -1354.132 where: short stacking energy: -574.467 Base-Backbone interact. energy: -0.977 local terms energy: -614.435307 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -141.573 flat angles C4'-P-C4' energy: -143.317 flat angles P-C4'-P energy: -85.771 tors. eta vs tors. theta energy: -112.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1588.161349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.161349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.161349 (E_RNA) where: Base-Base interactions energy: -1025.181 where: short stacking energy: -461.084 Base-Backbone interact. energy: -1.958 local terms energy: -561.021902 where: bonds (distance) C4'-P energy: -143.543 bonds (distance) P-C4' energy: -140.477 flat angles C4'-P-C4' energy: -124.917 flat angles P-C4'-P energy: -82.979 tors. eta vs tors. theta energy: -69.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1267.128204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.128204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.128204 (E_RNA) where: Base-Base interactions energy: -757.805 where: short stacking energy: -352.795 Base-Backbone interact. energy: 0.750 local terms energy: -510.072857 where: bonds (distance) C4'-P energy: -126.285 bonds (distance) P-C4' energy: -137.967 flat angles C4'-P-C4' energy: -126.703 flat angles P-C4'-P energy: -92.327 tors. eta vs tors. theta energy: -26.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -815.004082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.004082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.004082 (E_RNA) where: Base-Base interactions energy: -402.538 where: short stacking energy: -258.808 Base-Backbone interact. energy: 7.306 local terms energy: -419.771444 where: bonds (distance) C4'-P energy: -111.717 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -109.376 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -6.050 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: 268 Temperature: 0.900000 Total energy: -3018.737363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.737363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.737363 (E_RNA) where: Base-Base interactions energy: -2109.086 where: short stacking energy: -909.260 Base-Backbone interact. energy: -3.757 local terms energy: -905.895198 where: bonds (distance) C4'-P energy: -148.850 bonds (distance) P-C4' energy: -171.466 flat angles C4'-P-C4' energy: -189.115 flat angles P-C4'-P energy: -131.934 tors. eta vs tors. theta energy: -264.531 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: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -2904.017887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.017887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.017887 (E_RNA) where: Base-Base interactions energy: -2015.846 where: short stacking energy: -864.560 Base-Backbone interact. energy: -3.209 local terms energy: -884.963169 where: bonds (distance) C4'-P energy: -170.547 bonds (distance) P-C4' energy: -159.535 flat angles C4'-P-C4' energy: -188.335 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -240.801 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: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2760.504736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.504736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.504736 (E_RNA) where: Base-Base interactions energy: -1869.661 where: short stacking energy: -818.175 Base-Backbone interact. energy: -2.882 local terms energy: -887.962235 where: bonds (distance) C4'-P energy: -154.755 bonds (distance) P-C4' energy: -167.024 flat angles C4'-P-C4' energy: -193.457 flat angles P-C4'-P energy: -137.775 tors. eta vs tors. theta energy: -234.952 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: 3 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2563.113609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.113609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.113609 (E_RNA) where: Base-Base interactions energy: -1749.730 where: short stacking energy: -782.213 Base-Backbone interact. energy: -3.404 local terms energy: -809.980322 where: bonds (distance) C4'-P energy: -147.246 bonds (distance) P-C4' energy: -159.357 flat angles C4'-P-C4' energy: -166.758 flat angles P-C4'-P energy: -120.195 tors. eta vs tors. theta energy: -216.424 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: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2407.404026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.404026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.404026 (E_RNA) where: Base-Base interactions energy: -1655.730 where: short stacking energy: -725.967 Base-Backbone interact. energy: -4.981 local terms energy: -746.693655 where: bonds (distance) C4'-P energy: -144.926 bonds (distance) P-C4' energy: -141.298 flat angles C4'-P-C4' energy: -182.627 flat angles P-C4'-P energy: -103.346 tors. eta vs tors. theta energy: -174.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2068.278197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2068.278197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2068.278197 (E_RNA) where: Base-Base interactions energy: -1422.842 where: short stacking energy: -636.517 Base-Backbone interact. energy: -2.858 local terms energy: -642.578033 where: bonds (distance) C4'-P energy: -117.875 bonds (distance) P-C4' energy: -139.312 flat angles C4'-P-C4' energy: -144.000 flat angles P-C4'-P energy: -98.310 tors. eta vs tors. theta energy: -143.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1993.289548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.289548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.289548 (E_RNA) where: Base-Base interactions energy: -1348.090 where: short stacking energy: -588.459 Base-Backbone interact. energy: 0.602 local terms energy: -645.802317 where: bonds (distance) C4'-P energy: -122.747 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -147.962 flat angles P-C4'-P energy: -80.563 tors. eta vs tors. theta energy: -155.054 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: 8, replica: 4 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1624.506456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.506456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.506456 (E_RNA) where: Base-Base interactions energy: -1032.202 where: short stacking energy: -476.184 Base-Backbone interact. energy: -5.738 local terms energy: -586.566983 where: bonds (distance) C4'-P energy: -134.229 bonds (distance) P-C4' energy: -128.974 flat angles C4'-P-C4' energy: -126.296 flat angles P-C4'-P energy: -91.657 tors. eta vs tors. theta energy: -105.410 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: 9, replica: 8 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1266.522460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.522460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.522460 (E_RNA) where: Base-Base interactions energy: -794.756 where: short stacking energy: -361.421 Base-Backbone interact. energy: 1.156 local terms energy: -472.923297 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -107.311 flat angles C4'-P-C4' energy: -127.142 flat angles P-C4'-P energy: -60.000 tors. eta vs tors. theta energy: -44.915 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: 6 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -842.371023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.371023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.371023 (E_RNA) where: Base-Base interactions energy: -434.273 where: short stacking energy: -246.454 Base-Backbone interact. energy: 4.924 local terms energy: -413.021435 where: bonds (distance) C4'-P energy: -132.581 bonds (distance) P-C4' energy: -143.386 flat angles C4'-P-C4' energy: -98.757 flat angles P-C4'-P energy: -53.256 tors. eta vs tors. theta energy: 14.958 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: 269 Temperature: 0.900000 Total energy: -3015.589899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.589899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.589899 (E_RNA) where: Base-Base interactions energy: -2118.151 where: short stacking energy: -917.821 Base-Backbone interact. energy: -3.473 local terms energy: -893.965545 where: bonds (distance) C4'-P energy: -160.013 bonds (distance) P-C4' energy: -161.852 flat angles C4'-P-C4' energy: -178.517 flat angles P-C4'-P energy: -125.426 tors. eta vs tors. theta energy: -268.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -2921.548009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.548009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.548009 (E_RNA) where: Base-Base interactions energy: -2028.719 where: short stacking energy: -883.577 Base-Backbone interact. energy: -4.250 local terms energy: -888.578931 where: bonds (distance) C4'-P energy: -173.819 bonds (distance) P-C4' energy: -152.760 flat angles C4'-P-C4' energy: -198.802 flat angles P-C4'-P energy: -117.169 tors. eta vs tors. theta energy: -246.029 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: 3, replica: 5 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2758.777984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.777984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.777984 (E_RNA) where: Base-Base interactions energy: -1901.141 where: short stacking energy: -839.527 Base-Backbone interact. energy: -6.154 local terms energy: -851.482528 where: bonds (distance) C4'-P energy: -154.893 bonds (distance) P-C4' energy: -143.797 flat angles C4'-P-C4' energy: -181.291 flat angles P-C4'-P energy: -127.641 tors. eta vs tors. theta energy: -243.861 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: 269 Temperature: 1.050000 Total energy: -2575.583324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.583324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.583324 (E_RNA) where: Base-Base interactions energy: -1760.239 where: short stacking energy: -770.307 Base-Backbone interact. energy: -3.553 local terms energy: -811.790662 where: bonds (distance) C4'-P energy: -157.542 bonds (distance) P-C4' energy: -159.473 flat angles C4'-P-C4' energy: -181.475 flat angles P-C4'-P energy: -104.802 tors. eta vs tors. theta energy: -208.500 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2438.911561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.911561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.911561 (E_RNA) where: Base-Base interactions energy: -1674.306 where: short stacking energy: -702.074 Base-Backbone interact. energy: -0.880 local terms energy: -763.725580 where: bonds (distance) C4'-P energy: -155.327 bonds (distance) P-C4' energy: -146.460 flat angles C4'-P-C4' energy: -168.918 flat angles P-C4'-P energy: -103.558 tors. eta vs tors. theta energy: -189.462 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: 269 Temperature: 1.150000 Total energy: -2218.786931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.786931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.786931 (E_RNA) where: Base-Base interactions energy: -1537.005 where: short stacking energy: -691.320 Base-Backbone interact. energy: 4.537 local terms energy: -686.319091 where: bonds (distance) C4'-P energy: -127.946 bonds (distance) P-C4' energy: -136.946 flat angles C4'-P-C4' energy: -156.729 flat angles P-C4'-P energy: -98.300 tors. eta vs tors. theta energy: -166.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2004.522924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.522924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.522924 (E_RNA) where: Base-Base interactions energy: -1349.427 where: short stacking energy: -576.030 Base-Backbone interact. energy: 6.179 local terms energy: -661.274969 where: bonds (distance) C4'-P energy: -138.015 bonds (distance) P-C4' energy: -131.511 flat angles C4'-P-C4' energy: -166.122 flat angles P-C4'-P energy: -102.592 tors. eta vs tors. theta energy: -123.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1566.647257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.647257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.647257 (E_RNA) where: Base-Base interactions energy: -997.758 where: short stacking energy: -433.227 Base-Backbone interact. energy: -1.560 local terms energy: -567.329438 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -137.964 flat angles C4'-P-C4' energy: -141.800 flat angles P-C4'-P energy: -99.620 tors. eta vs tors. theta energy: -53.304 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: 8 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1251.703254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.703254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.703254 (E_RNA) where: Base-Base interactions energy: -776.799 where: short stacking energy: -380.217 Base-Backbone interact. energy: -1.143 local terms energy: -473.761597 where: bonds (distance) C4'-P energy: -118.558 bonds (distance) P-C4' energy: -119.352 flat angles C4'-P-C4' energy: -118.477 flat angles P-C4'-P energy: -77.020 tors. eta vs tors. theta energy: -40.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -912.662389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.662389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.662389 (E_RNA) where: Base-Base interactions energy: -465.673 where: short stacking energy: -279.259 Base-Backbone interact. energy: -1.252 local terms energy: -445.737238 where: bonds (distance) C4'-P energy: -110.557 bonds (distance) P-C4' energy: -132.410 flat angles C4'-P-C4' energy: -126.481 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -10.535 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: 1, replica: 1 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3012.788509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.788509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.788509 (E_RNA) where: Base-Base interactions energy: -2094.586 where: short stacking energy: -925.899 Base-Backbone interact. energy: 4.481 local terms energy: -922.683031 where: bonds (distance) C4'-P energy: -166.375 bonds (distance) P-C4' energy: -173.520 flat angles C4'-P-C4' energy: -190.668 flat angles P-C4'-P energy: -134.017 tors. eta vs tors. theta energy: -258.103 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: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -2955.872159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.872159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.872159 (E_RNA) where: Base-Base interactions energy: -2060.443 where: short stacking energy: -881.638 Base-Backbone interact. energy: -1.007 local terms energy: -894.422814 where: bonds (distance) C4'-P energy: -161.629 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -186.830 flat angles P-C4'-P energy: -130.167 tors. eta vs tors. theta energy: -248.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -2792.899427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.899427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.899427 (E_RNA) where: Base-Base interactions energy: -1936.591 where: short stacking energy: -846.706 Base-Backbone interact. energy: -5.235 local terms energy: -851.073267 where: bonds (distance) C4'-P energy: -157.034 bonds (distance) P-C4' energy: -141.893 flat angles C4'-P-C4' energy: -182.686 flat angles P-C4'-P energy: -120.542 tors. eta vs tors. theta energy: -248.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2624.558181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.558181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.558181 (E_RNA) where: Base-Base interactions energy: -1797.668 where: short stacking energy: -780.322 Base-Backbone interact. energy: 2.001 local terms energy: -828.890740 where: bonds (distance) C4'-P energy: -154.943 bonds (distance) P-C4' energy: -157.464 flat angles C4'-P-C4' energy: -184.417 flat angles P-C4'-P energy: -120.474 tors. eta vs tors. theta energy: -211.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2475.509608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.509608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.509608 (E_RNA) where: Base-Base interactions energy: -1715.344 where: short stacking energy: -732.635 Base-Backbone interact. energy: -1.721 local terms energy: -758.445249 where: bonds (distance) C4'-P energy: -154.280 bonds (distance) P-C4' energy: -135.742 flat angles C4'-P-C4' energy: -162.250 flat angles P-C4'-P energy: -102.504 tors. eta vs tors. theta energy: -203.670 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: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2239.018534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.018534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.018534 (E_RNA) where: Base-Base interactions energy: -1509.542 where: short stacking energy: -695.385 Base-Backbone interact. energy: 0.122 local terms energy: -729.598091 where: bonds (distance) C4'-P energy: -143.730 bonds (distance) P-C4' energy: -150.619 flat angles C4'-P-C4' energy: -171.205 flat angles P-C4'-P energy: -104.363 tors. eta vs tors. theta energy: -159.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1965.409395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.409395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.409395 (E_RNA) where: Base-Base interactions energy: -1304.027 where: short stacking energy: -575.567 Base-Backbone interact. energy: -1.914 local terms energy: -659.468823 where: bonds (distance) C4'-P energy: -145.021 bonds (distance) P-C4' energy: -161.094 flat angles C4'-P-C4' energy: -144.407 flat angles P-C4'-P energy: -74.458 tors. eta vs tors. theta energy: -134.489 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: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1644.207146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.207146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.207146 (E_RNA) where: Base-Base interactions energy: -1009.874 where: short stacking energy: -468.159 Base-Backbone interact. energy: -3.836 local terms energy: -630.497459 where: bonds (distance) C4'-P energy: -151.145 bonds (distance) P-C4' energy: -143.191 flat angles C4'-P-C4' energy: -152.644 flat angles P-C4'-P energy: -96.965 tors. eta vs tors. theta energy: -86.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1331.365360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.365360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.365360 (E_RNA) where: Base-Base interactions energy: -885.101 where: short stacking energy: -418.901 Base-Backbone interact. energy: -1.325 local terms energy: -444.939300 where: bonds (distance) C4'-P energy: -104.565 bonds (distance) P-C4' energy: -118.484 flat angles C4'-P-C4' energy: -113.799 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -44.137 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: 270 Temperature: 1.350000 Total energy: -922.482997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.482997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.482997 (E_RNA) where: Base-Base interactions energy: -462.368 where: short stacking energy: -250.626 Base-Backbone interact. energy: 2.046 local terms energy: -462.160877 where: bonds (distance) C4'-P energy: -119.771 bonds (distance) P-C4' energy: -147.754 flat angles C4'-P-C4' energy: -120.535 flat angles P-C4'-P energy: -61.093 tors. eta vs tors. theta energy: -13.009 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: 1, replica: 1 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -2994.983489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.983489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.983489 (E_RNA) where: Base-Base interactions energy: -2057.143 where: short stacking energy: -901.189 Base-Backbone interact. energy: -2.923 local terms energy: -934.918028 where: bonds (distance) C4'-P energy: -156.890 bonds (distance) P-C4' energy: -182.571 flat angles C4'-P-C4' energy: -193.491 flat angles P-C4'-P energy: -132.069 tors. eta vs tors. theta energy: -269.898 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: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -2903.567247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.567247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.567247 (E_RNA) where: Base-Base interactions energy: -2032.149 where: short stacking energy: -845.302 Base-Backbone interact. energy: -1.774 local terms energy: -869.644748 where: bonds (distance) C4'-P energy: -150.579 bonds (distance) P-C4' energy: -164.261 flat angles C4'-P-C4' energy: -180.616 flat angles P-C4'-P energy: -132.945 tors. eta vs tors. theta energy: -241.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2774.822917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.822917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.822917 (E_RNA) where: Base-Base interactions energy: -1897.665 where: short stacking energy: -832.109 Base-Backbone interact. energy: -1.739 local terms energy: -875.418603 where: bonds (distance) C4'-P energy: -168.803 bonds (distance) P-C4' energy: -162.474 flat angles C4'-P-C4' energy: -182.045 flat angles P-C4'-P energy: -127.489 tors. eta vs tors. theta energy: -234.607 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: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2585.348498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.348498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.348498 (E_RNA) where: Base-Base interactions energy: -1760.159 where: short stacking energy: -774.344 Base-Backbone interact. energy: -7.367 local terms energy: -817.822249 where: bonds (distance) C4'-P energy: -150.634 bonds (distance) P-C4' energy: -144.597 flat angles C4'-P-C4' energy: -172.889 flat angles P-C4'-P energy: -127.460 tors. eta vs tors. theta energy: -222.243 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: 7 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2460.953020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.953020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.953020 (E_RNA) where: Base-Base interactions energy: -1695.988 where: short stacking energy: -736.565 Base-Backbone interact. energy: -2.563 local terms energy: -762.401603 where: bonds (distance) C4'-P energy: -134.737 bonds (distance) P-C4' energy: -171.379 flat angles C4'-P-C4' energy: -164.307 flat angles P-C4'-P energy: -99.824 tors. eta vs tors. theta energy: -192.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2205.732430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.732430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.732430 (E_RNA) where: Base-Base interactions energy: -1496.393 where: short stacking energy: -640.522 Base-Backbone interact. energy: -0.768 local terms energy: -708.571482 where: bonds (distance) C4'-P energy: -138.121 bonds (distance) P-C4' energy: -151.385 flat angles C4'-P-C4' energy: -165.367 flat angles P-C4'-P energy: -94.423 tors. eta vs tors. theta energy: -159.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1987.589916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.589916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.589916 (E_RNA) where: Base-Base interactions energy: -1342.542 where: short stacking energy: -573.868 Base-Backbone interact. energy: 4.081 local terms energy: -649.128918 where: bonds (distance) C4'-P energy: -139.466 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -148.657 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -124.104 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: 4 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1629.570545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.570545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.570545 (E_RNA) where: Base-Base interactions energy: -1074.308 where: short stacking energy: -461.086 Base-Backbone interact. energy: 5.657 local terms energy: -560.919184 where: bonds (distance) C4'-P energy: -122.900 bonds (distance) P-C4' energy: -141.357 flat angles C4'-P-C4' energy: -139.140 flat angles P-C4'-P energy: -87.969 tors. eta vs tors. theta energy: -69.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1333.043176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.043176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.043176 (E_RNA) where: Base-Base interactions energy: -797.407 where: short stacking energy: -376.262 Base-Backbone interact. energy: -0.061 local terms energy: -535.574960 where: bonds (distance) C4'-P energy: -121.074 bonds (distance) P-C4' energy: -133.202 flat angles C4'-P-C4' energy: -145.856 flat angles P-C4'-P energy: -74.335 tors. eta vs tors. theta energy: -61.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -999.073823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.073823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.073823 (E_RNA) where: Base-Base interactions energy: -511.979 where: short stacking energy: -276.994 Base-Backbone interact. energy: -4.842 local terms energy: -482.252450 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -131.771 flat angles C4'-P-C4' energy: -129.060 flat angles P-C4'-P energy: -82.453 tors. eta vs tors. theta energy: -9.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3013.598976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.598976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.598976 (E_RNA) where: Base-Base interactions energy: -2110.134 where: short stacking energy: -920.057 Base-Backbone interact. energy: -3.589 local terms energy: -899.875651 where: bonds (distance) C4'-P energy: -151.739 bonds (distance) P-C4' energy: -170.623 flat angles C4'-P-C4' energy: -187.683 flat angles P-C4'-P energy: -121.515 tors. eta vs tors. theta energy: -268.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -2907.118622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.118622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.118622 (E_RNA) where: Base-Base interactions energy: -2047.320 where: short stacking energy: -862.874 Base-Backbone interact. energy: -1.270 local terms energy: -858.527715 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -161.336 flat angles C4'-P-C4' energy: -187.525 flat angles P-C4'-P energy: -124.371 tors. eta vs tors. theta energy: -243.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2771.932030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.932030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.932030 (E_RNA) where: Base-Base interactions energy: -1905.747 where: short stacking energy: -842.425 Base-Backbone interact. energy: -2.514 local terms energy: -863.671230 where: bonds (distance) C4'-P energy: -147.138 bonds (distance) P-C4' energy: -161.508 flat angles C4'-P-C4' energy: -189.840 flat angles P-C4'-P energy: -124.374 tors. eta vs tors. theta energy: -240.811 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: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2605.406909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.406909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.406909 (E_RNA) where: Base-Base interactions energy: -1834.298 where: short stacking energy: -796.927 Base-Backbone interact. energy: -0.184 local terms energy: -770.924953 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -135.470 flat angles C4'-P-C4' energy: -176.396 flat angles P-C4'-P energy: -102.216 tors. eta vs tors. theta energy: -216.724 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: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2474.942748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.942748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.942748 (E_RNA) where: Base-Base interactions energy: -1700.242 where: short stacking energy: -745.043 Base-Backbone interact. energy: -2.133 local terms energy: -772.567240 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -148.547 flat angles C4'-P-C4' energy: -161.632 flat angles P-C4'-P energy: -118.649 tors. eta vs tors. theta energy: -201.429 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: 272 Temperature: 1.150000 Total energy: -2225.965132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.965132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.965132 (E_RNA) where: Base-Base interactions energy: -1521.090 where: short stacking energy: -652.932 Base-Backbone interact. energy: -3.044 local terms energy: -701.830297 where: bonds (distance) C4'-P energy: -149.560 bonds (distance) P-C4' energy: -144.953 flat angles C4'-P-C4' energy: -154.048 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -159.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1957.191048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.191048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.191048 (E_RNA) where: Base-Base interactions energy: -1322.480 where: short stacking energy: -549.423 Base-Backbone interact. energy: 3.743 local terms energy: -638.454476 where: bonds (distance) C4'-P energy: -136.108 bonds (distance) P-C4' energy: -156.343 flat angles C4'-P-C4' energy: -153.687 flat angles P-C4'-P energy: -80.520 tors. eta vs tors. theta energy: -111.797 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: 4 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1672.238110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.238110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.238110 (E_RNA) where: Base-Base interactions energy: -1078.082 where: short stacking energy: -497.431 Base-Backbone interact. energy: -1.498 local terms energy: -592.658129 where: bonds (distance) C4'-P energy: -112.566 bonds (distance) P-C4' energy: -149.340 flat angles C4'-P-C4' energy: -133.800 flat angles P-C4'-P energy: -101.500 tors. eta vs tors. theta energy: -95.452 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: 9, replica: 8 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1286.460190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.460190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.460190 (E_RNA) where: Base-Base interactions energy: -770.819 where: short stacking energy: -330.869 Base-Backbone interact. energy: 3.699 local terms energy: -519.340552 where: bonds (distance) C4'-P energy: -126.214 bonds (distance) P-C4' energy: -153.195 flat angles C4'-P-C4' energy: -118.090 flat angles P-C4'-P energy: -80.680 tors. eta vs tors. theta energy: -41.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -951.000665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.000665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.000665 (E_RNA) where: Base-Base interactions energy: -493.025 where: short stacking energy: -266.563 Base-Backbone interact. energy: -1.872 local terms energy: -456.103866 where: bonds (distance) C4'-P energy: -125.491 bonds (distance) P-C4' energy: -140.615 flat angles C4'-P-C4' energy: -118.479 flat angles P-C4'-P energy: -74.686 tors. eta vs tors. theta energy: 3.168 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: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3048.148910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.148910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.148910 (E_RNA) where: Base-Base interactions energy: -2103.800 where: short stacking energy: -924.321 Base-Backbone interact. energy: -2.586 local terms energy: -941.763188 where: bonds (distance) C4'-P energy: -169.238 bonds (distance) P-C4' energy: -175.935 flat angles C4'-P-C4' energy: -185.577 flat angles P-C4'-P energy: -140.286 tors. eta vs tors. theta energy: -270.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -2912.337289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.337289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.337289 (E_RNA) where: Base-Base interactions energy: -2023.773 where: short stacking energy: -874.634 Base-Backbone interact. energy: -3.154 local terms energy: -885.410808 where: bonds (distance) C4'-P energy: -167.554 bonds (distance) P-C4' energy: -171.985 flat angles C4'-P-C4' energy: -180.843 flat angles P-C4'-P energy: -125.662 tors. eta vs tors. theta energy: -239.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2811.265417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.265417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.265417 (E_RNA) where: Base-Base interactions energy: -1932.906 where: short stacking energy: -851.968 Base-Backbone interact. energy: -0.893 local terms energy: -877.466214 where: bonds (distance) C4'-P energy: -146.303 bonds (distance) P-C4' energy: -168.733 flat angles C4'-P-C4' energy: -186.797 flat angles P-C4'-P energy: -128.320 tors. eta vs tors. theta energy: -247.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2601.393114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.393114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.393114 (E_RNA) where: Base-Base interactions energy: -1776.542 where: short stacking energy: -775.376 Base-Backbone interact. energy: -4.114 local terms energy: -820.737107 where: bonds (distance) C4'-P energy: -145.790 bonds (distance) P-C4' energy: -156.720 flat angles C4'-P-C4' energy: -183.760 flat angles P-C4'-P energy: -112.122 tors. eta vs tors. theta energy: -222.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2442.442660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.442660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.442660 (E_RNA) where: Base-Base interactions energy: -1700.300 where: short stacking energy: -724.034 Base-Backbone interact. energy: 1.086 local terms energy: -743.228799 where: bonds (distance) C4'-P energy: -132.303 bonds (distance) P-C4' energy: -156.524 flat angles C4'-P-C4' energy: -162.559 flat angles P-C4'-P energy: -96.042 tors. eta vs tors. theta energy: -195.801 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: 2 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2215.066583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.066583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.066583 (E_RNA) where: Base-Base interactions energy: -1488.615 where: short stacking energy: -661.763 Base-Backbone interact. energy: -0.291 local terms energy: -726.160758 where: bonds (distance) C4'-P energy: -139.524 bonds (distance) P-C4' energy: -153.254 flat angles C4'-P-C4' energy: -152.964 flat angles P-C4'-P energy: -118.344 tors. eta vs tors. theta energy: -162.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2008.079422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.079422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.079422 (E_RNA) where: Base-Base interactions energy: -1338.222 where: short stacking energy: -535.984 Base-Backbone interact. energy: -2.018 local terms energy: -667.839674 where: bonds (distance) C4'-P energy: -135.377 bonds (distance) P-C4' energy: -161.211 flat angles C4'-P-C4' energy: -167.514 flat angles P-C4'-P energy: -97.475 tors. eta vs tors. theta energy: -106.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1679.306594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.306594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.306594 (E_RNA) where: Base-Base interactions energy: -1062.883 where: short stacking energy: -482.589 Base-Backbone interact. energy: -4.328 local terms energy: -612.095183 where: bonds (distance) C4'-P energy: -155.846 bonds (distance) P-C4' energy: -136.172 flat angles C4'-P-C4' energy: -142.801 flat angles P-C4'-P energy: -76.901 tors. eta vs tors. theta energy: -100.375 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: 9, replica: 8 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1320.831955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.831955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.831955 (E_RNA) where: Base-Base interactions energy: -853.856 where: short stacking energy: -390.481 Base-Backbone interact. energy: 4.615 local terms energy: -471.591003 where: bonds (distance) C4'-P energy: -128.175 bonds (distance) P-C4' energy: -136.283 flat angles C4'-P-C4' energy: -124.988 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -30.618 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: 6 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -934.577853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.577853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.577853 (E_RNA) where: Base-Base interactions energy: -471.931 where: short stacking energy: -268.537 Base-Backbone interact. energy: -1.028 local terms energy: -461.619068 where: bonds (distance) C4'-P energy: -103.759 bonds (distance) P-C4' energy: -156.510 flat angles C4'-P-C4' energy: -119.394 flat angles P-C4'-P energy: -66.621 tors. eta vs tors. theta energy: -15.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3020.542205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.542205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.542205 (E_RNA) where: Base-Base interactions energy: -2102.089 where: short stacking energy: -938.039 Base-Backbone interact. energy: -2.787 local terms energy: -915.666452 where: bonds (distance) C4'-P energy: -169.573 bonds (distance) P-C4' energy: -162.681 flat angles C4'-P-C4' energy: -192.757 flat angles P-C4'-P energy: -122.712 tors. eta vs tors. theta energy: -267.943 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: 10 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -2918.047354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.047354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.047354 (E_RNA) where: Base-Base interactions energy: -2028.386 where: short stacking energy: -847.660 Base-Backbone interact. energy: -4.326 local terms energy: -885.335603 where: bonds (distance) C4'-P energy: -168.307 bonds (distance) P-C4' energy: -143.433 flat angles C4'-P-C4' energy: -190.038 flat angles P-C4'-P energy: -126.611 tors. eta vs tors. theta energy: -256.947 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: 5 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -2786.166646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.166646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.166646 (E_RNA) where: Base-Base interactions energy: -1922.767 where: short stacking energy: -850.389 Base-Backbone interact. energy: 2.149 local terms energy: -865.548976 where: bonds (distance) C4'-P energy: -166.599 bonds (distance) P-C4' energy: -145.623 flat angles C4'-P-C4' energy: -196.551 flat angles P-C4'-P energy: -121.449 tors. eta vs tors. theta energy: -235.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2602.546588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.546588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.546588 (E_RNA) where: Base-Base interactions energy: -1826.262 where: short stacking energy: -782.334 Base-Backbone interact. energy: 2.063 local terms energy: -778.346842 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -144.272 flat angles C4'-P-C4' energy: -170.703 flat angles P-C4'-P energy: -103.128 tors. eta vs tors. theta energy: -218.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2486.633339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.633339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.633339 (E_RNA) where: Base-Base interactions energy: -1736.699 where: short stacking energy: -751.829 Base-Backbone interact. energy: -1.158 local terms energy: -748.776043 where: bonds (distance) C4'-P energy: -144.055 bonds (distance) P-C4' energy: -135.713 flat angles C4'-P-C4' energy: -164.433 flat angles P-C4'-P energy: -117.682 tors. eta vs tors. theta energy: -186.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2217.950268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2217.950268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2217.950268 (E_RNA) where: Base-Base interactions energy: -1487.301 where: short stacking energy: -648.183 Base-Backbone interact. energy: -4.812 local terms energy: -725.836826 where: bonds (distance) C4'-P energy: -146.954 bonds (distance) P-C4' energy: -180.011 flat angles C4'-P-C4' energy: -164.455 flat angles P-C4'-P energy: -82.997 tors. eta vs tors. theta energy: -151.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2018.434426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.434426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.434426 (E_RNA) where: Base-Base interactions energy: -1351.739 where: short stacking energy: -589.357 Base-Backbone interact. energy: 1.418 local terms energy: -668.112690 where: bonds (distance) C4'-P energy: -134.130 bonds (distance) P-C4' energy: -153.179 flat angles C4'-P-C4' energy: -161.976 flat angles P-C4'-P energy: -91.189 tors. eta vs tors. theta energy: -127.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1676.645297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.645297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.645297 (E_RNA) where: Base-Base interactions energy: -1044.922 where: short stacking energy: -480.870 Base-Backbone interact. energy: -1.236 local terms energy: -630.487553 where: bonds (distance) C4'-P energy: -126.272 bonds (distance) P-C4' energy: -140.420 flat angles C4'-P-C4' energy: -149.271 flat angles P-C4'-P energy: -86.440 tors. eta vs tors. theta energy: -128.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1365.380669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.380669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.380669 (E_RNA) where: Base-Base interactions energy: -875.496 where: short stacking energy: -412.749 Base-Backbone interact. energy: 0.748 local terms energy: -490.632888 where: bonds (distance) C4'-P energy: -113.146 bonds (distance) P-C4' energy: -139.672 flat angles C4'-P-C4' energy: -114.258 flat angles P-C4'-P energy: -66.463 tors. eta vs tors. theta energy: -57.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -989.929057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.929057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.929057 (E_RNA) where: Base-Base interactions energy: -529.677 where: short stacking energy: -258.323 Base-Backbone interact. energy: -1.639 local terms energy: -458.613598 where: bonds (distance) C4'-P energy: -130.729 bonds (distance) P-C4' energy: -141.046 flat angles C4'-P-C4' energy: -99.843 flat angles P-C4'-P energy: -66.627 tors. eta vs tors. theta energy: -20.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3005.600658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.600658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.600658 (E_RNA) where: Base-Base interactions energy: -2053.797 where: short stacking energy: -911.215 Base-Backbone interact. energy: -3.374 local terms energy: -948.429272 where: bonds (distance) C4'-P energy: -161.850 bonds (distance) P-C4' energy: -172.946 flat angles C4'-P-C4' energy: -191.509 flat angles P-C4'-P energy: -149.282 tors. eta vs tors. theta energy: -272.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -2931.019857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.019857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.019857 (E_RNA) where: Base-Base interactions energy: -2059.063 where: short stacking energy: -887.819 Base-Backbone interact. energy: -3.582 local terms energy: -868.374201 where: bonds (distance) C4'-P energy: -150.119 bonds (distance) P-C4' energy: -155.853 flat angles C4'-P-C4' energy: -186.344 flat angles P-C4'-P energy: -129.160 tors. eta vs tors. theta energy: -246.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -2807.256577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.256577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.256577 (E_RNA) where: Base-Base interactions energy: -1929.850 where: short stacking energy: -845.023 Base-Backbone interact. energy: -2.175 local terms energy: -875.231571 where: bonds (distance) C4'-P energy: -153.698 bonds (distance) P-C4' energy: -164.188 flat angles C4'-P-C4' energy: -191.308 flat angles P-C4'-P energy: -113.509 tors. eta vs tors. theta energy: -252.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2589.745001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.745001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.745001 (E_RNA) where: Base-Base interactions energy: -1807.436 where: short stacking energy: -769.390 Base-Backbone interact. energy: -2.613 local terms energy: -779.695825 where: bonds (distance) C4'-P energy: -127.619 bonds (distance) P-C4' energy: -140.438 flat angles C4'-P-C4' energy: -173.153 flat angles P-C4'-P energy: -123.250 tors. eta vs tors. theta energy: -215.236 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: 7 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2503.219776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.219776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.219776 (E_RNA) where: Base-Base interactions energy: -1736.952 where: short stacking energy: -737.767 Base-Backbone interact. energy: -4.165 local terms energy: -762.102362 where: bonds (distance) C4'-P energy: -136.843 bonds (distance) P-C4' energy: -158.091 flat angles C4'-P-C4' energy: -172.299 flat angles P-C4'-P energy: -107.094 tors. eta vs tors. theta energy: -187.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2278.952111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.952111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.952111 (E_RNA) where: Base-Base interactions energy: -1569.133 where: short stacking energy: -658.138 Base-Backbone interact. energy: -0.931 local terms energy: -708.888776 where: bonds (distance) C4'-P energy: -147.299 bonds (distance) P-C4' energy: -145.490 flat angles C4'-P-C4' energy: -143.569 flat angles P-C4'-P energy: -113.311 tors. eta vs tors. theta energy: -159.220 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: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1978.746018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.746018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.746018 (E_RNA) where: Base-Base interactions energy: -1353.285 where: short stacking energy: -555.889 Base-Backbone interact. energy: 0.435 local terms energy: -625.896037 where: bonds (distance) C4'-P energy: -129.367 bonds (distance) P-C4' energy: -149.774 flat angles C4'-P-C4' energy: -151.429 flat angles P-C4'-P energy: -75.313 tors. eta vs tors. theta energy: -120.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1698.661717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.661717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.661717 (E_RNA) where: Base-Base interactions energy: -1134.861 where: short stacking energy: -478.559 Base-Backbone interact. energy: 1.454 local terms energy: -565.254816 where: bonds (distance) C4'-P energy: -121.186 bonds (distance) P-C4' energy: -148.282 flat angles C4'-P-C4' energy: -139.741 flat angles P-C4'-P energy: -79.744 tors. eta vs tors. theta energy: -76.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1367.345934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.345934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.345934 (E_RNA) where: Base-Base interactions energy: -826.884 where: short stacking energy: -377.665 Base-Backbone interact. energy: 0.027 local terms energy: -540.488969 where: bonds (distance) C4'-P energy: -141.006 bonds (distance) P-C4' energy: -146.500 flat angles C4'-P-C4' energy: -149.207 flat angles P-C4'-P energy: -63.595 tors. eta vs tors. theta energy: -40.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -986.623750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.623750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.623750 (E_RNA) where: Base-Base interactions energy: -493.218 where: short stacking energy: -266.688 Base-Backbone interact. energy: 7.919 local terms energy: -501.324466 where: bonds (distance) C4'-P energy: -148.999 bonds (distance) P-C4' energy: -139.252 flat angles C4'-P-C4' energy: -129.413 flat angles P-C4'-P energy: -76.634 tors. eta vs tors. theta energy: -7.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3014.024566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.024566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.024566 (E_RNA) where: Base-Base interactions energy: -2089.387 where: short stacking energy: -929.878 Base-Backbone interact. energy: -4.377 local terms energy: -920.260793 where: bonds (distance) C4'-P energy: -166.753 bonds (distance) P-C4' energy: -158.468 flat angles C4'-P-C4' energy: -186.468 flat angles P-C4'-P energy: -141.691 tors. eta vs tors. theta energy: -266.880 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: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -2891.787084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.787084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.787084 (E_RNA) where: Base-Base interactions energy: -2016.511 where: short stacking energy: -874.063 Base-Backbone interact. energy: -2.973 local terms energy: -872.302727 where: bonds (distance) C4'-P energy: -156.420 bonds (distance) P-C4' energy: -162.463 flat angles C4'-P-C4' energy: -181.328 flat angles P-C4'-P energy: -124.985 tors. eta vs tors. theta energy: -247.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2832.363639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.363639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.363639 (E_RNA) where: Base-Base interactions energy: -1935.670 where: short stacking energy: -864.953 Base-Backbone interact. energy: -2.344 local terms energy: -894.349623 where: bonds (distance) C4'-P energy: -161.105 bonds (distance) P-C4' energy: -169.941 flat angles C4'-P-C4' energy: -201.581 flat angles P-C4'-P energy: -108.532 tors. eta vs tors. theta energy: -253.190 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2594.243971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.243971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.243971 (E_RNA) where: Base-Base interactions energy: -1778.384 where: short stacking energy: -777.579 Base-Backbone interact. energy: 1.241 local terms energy: -817.100307 where: bonds (distance) C4'-P energy: -141.728 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -177.304 flat angles P-C4'-P energy: -113.250 tors. eta vs tors. theta energy: -232.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2489.730233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.730233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.730233 (E_RNA) where: Base-Base interactions energy: -1736.036 where: short stacking energy: -742.304 Base-Backbone interact. energy: -4.356 local terms energy: -749.338252 where: bonds (distance) C4'-P energy: -121.958 bonds (distance) P-C4' energy: -134.621 flat angles C4'-P-C4' energy: -176.183 flat angles P-C4'-P energy: -122.744 tors. eta vs tors. theta energy: -193.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2192.771890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.771890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.771890 (E_RNA) where: Base-Base interactions energy: -1510.140 where: short stacking energy: -670.156 Base-Backbone interact. energy: 0.461 local terms energy: -683.092819 where: bonds (distance) C4'-P energy: -151.624 bonds (distance) P-C4' energy: -122.335 flat angles C4'-P-C4' energy: -150.993 flat angles P-C4'-P energy: -100.085 tors. eta vs tors. theta energy: -158.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1891.365987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.365987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.365987 (E_RNA) where: Base-Base interactions energy: -1261.755 where: short stacking energy: -552.996 Base-Backbone interact. energy: 0.493 local terms energy: -630.103976 where: bonds (distance) C4'-P energy: -107.909 bonds (distance) P-C4' energy: -143.956 flat angles C4'-P-C4' energy: -139.992 flat angles P-C4'-P energy: -105.342 tors. eta vs tors. theta energy: -132.905 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: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1720.124810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.124810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.124810 (E_RNA) where: Base-Base interactions energy: -1100.981 where: short stacking energy: -466.515 Base-Backbone interact. energy: -3.599 local terms energy: -615.544421 where: bonds (distance) C4'-P energy: -142.089 bonds (distance) P-C4' energy: -147.055 flat angles C4'-P-C4' energy: -142.202 flat angles P-C4'-P energy: -88.878 tors. eta vs tors. theta energy: -95.320 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: 8 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1382.900223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.900223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.900223 (E_RNA) where: Base-Base interactions energy: -859.907 where: short stacking energy: -384.073 Base-Backbone interact. energy: -3.329 local terms energy: -519.664518 where: bonds (distance) C4'-P energy: -131.206 bonds (distance) P-C4' energy: -135.110 flat angles C4'-P-C4' energy: -126.222 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -50.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -902.824732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.824732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.824732 (E_RNA) where: Base-Base interactions energy: -464.149 where: short stacking energy: -248.106 Base-Backbone interact. energy: 5.177 local terms energy: -443.852910 where: bonds (distance) C4'-P energy: -125.279 bonds (distance) P-C4' energy: -138.264 flat angles C4'-P-C4' energy: -116.662 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: 5.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3017.206475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.206475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.206475 (E_RNA) where: Base-Base interactions energy: -2081.126 where: short stacking energy: -929.484 Base-Backbone interact. energy: -4.345 local terms energy: -931.734784 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -173.570 flat angles C4'-P-C4' energy: -197.383 flat angles P-C4'-P energy: -139.591 tors. eta vs tors. theta energy: -266.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -2888.509933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.509933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.509933 (E_RNA) where: Base-Base interactions energy: -2021.121 where: short stacking energy: -839.498 Base-Backbone interact. energy: -2.794 local terms energy: -864.594990 where: bonds (distance) C4'-P energy: -162.502 bonds (distance) P-C4' energy: -165.584 flat angles C4'-P-C4' energy: -181.683 flat angles P-C4'-P energy: -121.414 tors. eta vs tors. theta energy: -233.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2762.696590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.696590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.696590 (E_RNA) where: Base-Base interactions energy: -1905.715 where: short stacking energy: -860.217 Base-Backbone interact. energy: 0.204 local terms energy: -857.185574 where: bonds (distance) C4'-P energy: -152.528 bonds (distance) P-C4' energy: -151.514 flat angles C4'-P-C4' energy: -181.979 flat angles P-C4'-P energy: -121.194 tors. eta vs tors. theta energy: -249.970 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: 3 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2583.158800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.158800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.158800 (E_RNA) where: Base-Base interactions energy: -1795.106 where: short stacking energy: -774.768 Base-Backbone interact. energy: -2.825 local terms energy: -785.228131 where: bonds (distance) C4'-P energy: -135.246 bonds (distance) P-C4' energy: -150.393 flat angles C4'-P-C4' energy: -167.002 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -217.925 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: 7 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2515.810571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.810571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.810571 (E_RNA) where: Base-Base interactions energy: -1729.750 where: short stacking energy: -737.880 Base-Backbone interact. energy: -2.316 local terms energy: -783.744904 where: bonds (distance) C4'-P energy: -152.902 bonds (distance) P-C4' energy: -152.055 flat angles C4'-P-C4' energy: -168.274 flat angles P-C4'-P energy: -108.752 tors. eta vs tors. theta energy: -201.763 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: 2 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2201.160927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.160927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.160927 (E_RNA) where: Base-Base interactions energy: -1501.294 where: short stacking energy: -669.835 Base-Backbone interact. energy: -3.934 local terms energy: -695.933019 where: bonds (distance) C4'-P energy: -129.718 bonds (distance) P-C4' energy: -142.260 flat angles C4'-P-C4' energy: -157.483 flat angles P-C4'-P energy: -104.400 tors. eta vs tors. theta energy: -162.072 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: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1874.047906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.047906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.047906 (E_RNA) where: Base-Base interactions energy: -1248.503 where: short stacking energy: -548.598 Base-Backbone interact. energy: 1.857 local terms energy: -627.401795 where: bonds (distance) C4'-P energy: -153.550 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -154.642 flat angles P-C4'-P energy: -72.806 tors. eta vs tors. theta energy: -112.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1658.744136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.744136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.744136 (E_RNA) where: Base-Base interactions energy: -1088.828 where: short stacking energy: -477.376 Base-Backbone interact. energy: 0.015 local terms energy: -569.930823 where: bonds (distance) C4'-P energy: -128.281 bonds (distance) P-C4' energy: -155.209 flat angles C4'-P-C4' energy: -124.158 flat angles P-C4'-P energy: -95.528 tors. eta vs tors. theta energy: -66.754 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: 8 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1316.677493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.677493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.677493 (E_RNA) where: Base-Base interactions energy: -811.398 where: short stacking energy: -390.005 Base-Backbone interact. energy: 1.417 local terms energy: -506.696356 where: bonds (distance) C4'-P energy: -107.060 bonds (distance) P-C4' energy: -144.543 flat angles C4'-P-C4' energy: -135.810 flat angles P-C4'-P energy: -71.148 tors. eta vs tors. theta energy: -48.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -838.328262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.328262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.328262 (E_RNA) where: Base-Base interactions energy: -413.459 where: short stacking energy: -255.095 Base-Backbone interact. energy: 6.199 local terms energy: -431.068042 where: bonds (distance) C4'-P energy: -105.100 bonds (distance) P-C4' energy: -157.662 flat angles C4'-P-C4' energy: -116.542 flat angles P-C4'-P energy: -65.250 tors. eta vs tors. theta energy: 13.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3034.936490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.936490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.936490 (E_RNA) where: Base-Base interactions energy: -2118.576 where: short stacking energy: -906.486 Base-Backbone interact. energy: -0.774 local terms energy: -915.586293 where: bonds (distance) C4'-P energy: -158.219 bonds (distance) P-C4' energy: -164.144 flat angles C4'-P-C4' energy: -185.318 flat angles P-C4'-P energy: -132.722 tors. eta vs tors. theta energy: -275.184 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: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -2922.290058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.290058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.290058 (E_RNA) where: Base-Base interactions energy: -2066.434 where: short stacking energy: -867.745 Base-Backbone interact. energy: -0.481 local terms energy: -855.375594 where: bonds (distance) C4'-P energy: -164.633 bonds (distance) P-C4' energy: -151.551 flat angles C4'-P-C4' energy: -170.103 flat angles P-C4'-P energy: -133.275 tors. eta vs tors. theta energy: -235.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2793.907653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.907653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.907653 (E_RNA) where: Base-Base interactions energy: -1928.085 where: short stacking energy: -856.627 Base-Backbone interact. energy: 2.940 local terms energy: -868.763036 where: bonds (distance) C4'-P energy: -164.411 bonds (distance) P-C4' energy: -152.197 flat angles C4'-P-C4' energy: -180.564 flat angles P-C4'-P energy: -122.800 tors. eta vs tors. theta energy: -248.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2599.221479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.221479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.221479 (E_RNA) where: Base-Base interactions energy: -1798.371 where: short stacking energy: -774.656 Base-Backbone interact. energy: -0.919 local terms energy: -799.930782 where: bonds (distance) C4'-P energy: -148.612 bonds (distance) P-C4' energy: -161.038 flat angles C4'-P-C4' energy: -161.510 flat angles P-C4'-P energy: -114.435 tors. eta vs tors. theta energy: -214.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2524.410834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.410834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.410834 (E_RNA) where: Base-Base interactions energy: -1749.723 where: short stacking energy: -739.547 Base-Backbone interact. energy: 1.776 local terms energy: -776.463768 where: bonds (distance) C4'-P energy: -137.910 bonds (distance) P-C4' energy: -157.041 flat angles C4'-P-C4' energy: -173.177 flat angles P-C4'-P energy: -106.190 tors. eta vs tors. theta energy: -202.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2158.659775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.659775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.659775 (E_RNA) where: Base-Base interactions energy: -1446.985 where: short stacking energy: -639.240 Base-Backbone interact. energy: -3.585 local terms energy: -708.089367 where: bonds (distance) C4'-P energy: -138.642 bonds (distance) P-C4' energy: -147.696 flat angles C4'-P-C4' energy: -161.790 flat angles P-C4'-P energy: -99.876 tors. eta vs tors. theta energy: -160.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1914.730821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.730821 (E_RNA) where: Base-Base interactions energy: -1278.364 where: short stacking energy: -573.729 Base-Backbone interact. energy: 1.626 local terms energy: -637.992761 where: bonds (distance) C4'-P energy: -117.464 bonds (distance) P-C4' energy: -142.089 flat angles C4'-P-C4' energy: -154.145 flat angles P-C4'-P energy: -94.966 tors. eta vs tors. theta energy: -129.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1678.479606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.479606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.479606 (E_RNA) where: Base-Base interactions energy: -1093.290 where: short stacking energy: -482.311 Base-Backbone interact. energy: -0.248 local terms energy: -584.941465 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -140.633 flat angles C4'-P-C4' energy: -117.887 flat angles P-C4'-P energy: -94.725 tors. eta vs tors. theta energy: -91.051 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: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1296.079099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.079099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.079099 (E_RNA) where: Base-Base interactions energy: -783.502 where: short stacking energy: -372.660 Base-Backbone interact. energy: 0.800 local terms energy: -513.376839 where: bonds (distance) C4'-P energy: -130.834 bonds (distance) P-C4' energy: -131.971 flat angles C4'-P-C4' energy: -146.808 flat angles P-C4'-P energy: -75.225 tors. eta vs tors. theta energy: -28.539 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: 6 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -811.465020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.465020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.465020 (E_RNA) where: Base-Base interactions energy: -357.766 where: short stacking energy: -244.820 Base-Backbone interact. energy: -0.164 local terms energy: -453.534385 where: bonds (distance) C4'-P energy: -115.551 bonds (distance) P-C4' energy: -142.852 flat angles C4'-P-C4' energy: -117.023 flat angles P-C4'-P energy: -74.897 tors. eta vs tors. theta energy: -3.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3021.341716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.341716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.341716 (E_RNA) where: Base-Base interactions energy: -2125.220 where: short stacking energy: -927.189 Base-Backbone interact. energy: -5.301 local terms energy: -890.820720 where: bonds (distance) C4'-P energy: -155.214 bonds (distance) P-C4' energy: -152.461 flat angles C4'-P-C4' energy: -184.960 flat angles P-C4'-P energy: -127.248 tors. eta vs tors. theta energy: -270.937 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: 10 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -2940.273678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.273678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.273678 (E_RNA) where: Base-Base interactions energy: -2061.172 where: short stacking energy: -850.091 Base-Backbone interact. energy: -2.651 local terms energy: -876.450612 where: bonds (distance) C4'-P energy: -153.404 bonds (distance) P-C4' energy: -166.613 flat angles C4'-P-C4' energy: -181.703 flat angles P-C4'-P energy: -128.125 tors. eta vs tors. theta energy: -246.606 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: 5 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -2794.340994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.340994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.340994 (E_RNA) where: Base-Base interactions energy: -1928.978 where: short stacking energy: -898.157 Base-Backbone interact. energy: -1.802 local terms energy: -863.561009 where: bonds (distance) C4'-P energy: -152.671 bonds (distance) P-C4' energy: -143.044 flat angles C4'-P-C4' energy: -186.624 flat angles P-C4'-P energy: -124.131 tors. eta vs tors. theta energy: -257.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2552.182653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.182653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.182653 (E_RNA) where: Base-Base interactions energy: -1738.670 where: short stacking energy: -770.053 Base-Backbone interact. energy: -2.855 local terms energy: -810.657591 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -166.933 flat angles C4'-P-C4' energy: -173.849 flat angles P-C4'-P energy: -99.294 tors. eta vs tors. theta energy: -221.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2482.571520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.571520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.571520 (E_RNA) where: Base-Base interactions energy: -1714.103 where: short stacking energy: -732.635 Base-Backbone interact. energy: -2.261 local terms energy: -766.207587 where: bonds (distance) C4'-P energy: -149.316 bonds (distance) P-C4' energy: -152.495 flat angles C4'-P-C4' energy: -158.011 flat angles P-C4'-P energy: -114.848 tors. eta vs tors. theta energy: -191.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2198.722064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.722064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.722064 (E_RNA) where: Base-Base interactions energy: -1525.481 where: short stacking energy: -658.686 Base-Backbone interact. energy: -0.413 local terms energy: -672.827925 where: bonds (distance) C4'-P energy: -143.227 bonds (distance) P-C4' energy: -131.021 flat angles C4'-P-C4' energy: -162.899 flat angles P-C4'-P energy: -92.008 tors. eta vs tors. theta energy: -143.672 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: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2009.187885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.187885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.187885 (E_RNA) where: Base-Base interactions energy: -1353.745 where: short stacking energy: -605.211 Base-Backbone interact. energy: 0.549 local terms energy: -655.991702 where: bonds (distance) C4'-P energy: -113.990 bonds (distance) P-C4' energy: -110.777 flat angles C4'-P-C4' energy: -173.006 flat angles P-C4'-P energy: -115.204 tors. eta vs tors. theta energy: -143.014 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: 4 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1653.369304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.369304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.369304 (E_RNA) where: Base-Base interactions energy: -1089.288 where: short stacking energy: -487.815 Base-Backbone interact. energy: -0.762 local terms energy: -563.319490 where: bonds (distance) C4'-P energy: -135.359 bonds (distance) P-C4' energy: -151.708 flat angles C4'-P-C4' energy: -126.656 flat angles P-C4'-P energy: -71.689 tors. eta vs tors. theta energy: -77.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1322.237024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.237024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.237024 (E_RNA) where: Base-Base interactions energy: -794.150 where: short stacking energy: -392.193 Base-Backbone interact. energy: 3.318 local terms energy: -531.405148 where: bonds (distance) C4'-P energy: -126.309 bonds (distance) P-C4' energy: -144.669 flat angles C4'-P-C4' energy: -117.341 flat angles P-C4'-P energy: -79.504 tors. eta vs tors. theta energy: -63.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -792.056963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.056963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.056963 (E_RNA) where: Base-Base interactions energy: -384.042 where: short stacking energy: -216.784 Base-Backbone interact. energy: 1.930 local terms energy: -409.944941 where: bonds (distance) C4'-P energy: -112.067 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -120.324 flat angles P-C4'-P energy: -56.039 tors. eta vs tors. theta energy: 23.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3040.404548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.404548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.404548 (E_RNA) where: Base-Base interactions energy: -2095.187 where: short stacking energy: -920.895 Base-Backbone interact. energy: -3.357 local terms energy: -941.860354 where: bonds (distance) C4'-P energy: -151.061 bonds (distance) P-C4' energy: -181.261 flat angles C4'-P-C4' energy: -187.667 flat angles P-C4'-P energy: -151.429 tors. eta vs tors. theta energy: -270.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -2948.134635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.134635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.134635 (E_RNA) where: Base-Base interactions energy: -2068.624 where: short stacking energy: -900.496 Base-Backbone interact. energy: -1.109 local terms energy: -878.401765 where: bonds (distance) C4'-P energy: -156.306 bonds (distance) P-C4' energy: -162.108 flat angles C4'-P-C4' energy: -184.123 flat angles P-C4'-P energy: -123.238 tors. eta vs tors. theta energy: -252.626 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: 5 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -2786.610142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.610142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.610142 (E_RNA) where: Base-Base interactions energy: -1939.063 where: short stacking energy: -882.855 Base-Backbone interact. energy: 0.720 local terms energy: -848.266717 where: bonds (distance) C4'-P energy: -152.888 bonds (distance) P-C4' energy: -169.501 flat angles C4'-P-C4' energy: -179.806 flat angles P-C4'-P energy: -98.964 tors. eta vs tors. theta energy: -247.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2533.042272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.042272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.042272 (E_RNA) where: Base-Base interactions energy: -1729.406 where: short stacking energy: -754.882 Base-Backbone interact. energy: -5.118 local terms energy: -798.518512 where: bonds (distance) C4'-P energy: -143.608 bonds (distance) P-C4' energy: -153.724 flat angles C4'-P-C4' energy: -170.537 flat angles P-C4'-P energy: -114.572 tors. eta vs tors. theta energy: -216.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2500.674909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.674909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.674909 (E_RNA) where: Base-Base interactions energy: -1737.881 where: short stacking energy: -740.430 Base-Backbone interact. energy: -2.281 local terms energy: -760.511953 where: bonds (distance) C4'-P energy: -134.533 bonds (distance) P-C4' energy: -145.488 flat angles C4'-P-C4' energy: -164.908 flat angles P-C4'-P energy: -101.469 tors. eta vs tors. theta energy: -214.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2166.173819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.173819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.173819 (E_RNA) where: Base-Base interactions energy: -1467.463 where: short stacking energy: -641.378 Base-Backbone interact. energy: -2.416 local terms energy: -696.294897 where: bonds (distance) C4'-P energy: -139.616 bonds (distance) P-C4' energy: -134.870 flat angles C4'-P-C4' energy: -167.100 flat angles P-C4'-P energy: -95.129 tors. eta vs tors. theta energy: -159.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1909.675031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.675031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.675031 (E_RNA) where: Base-Base interactions energy: -1265.718 where: short stacking energy: -577.629 Base-Backbone interact. energy: 2.331 local terms energy: -646.288309 where: bonds (distance) C4'-P energy: -118.727 bonds (distance) P-C4' energy: -157.795 flat angles C4'-P-C4' energy: -153.360 flat angles P-C4'-P energy: -94.158 tors. eta vs tors. theta energy: -122.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1664.799997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.799997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.799997 (E_RNA) where: Base-Base interactions energy: -1081.481 where: short stacking energy: -454.344 Base-Backbone interact. energy: -6.430 local terms energy: -576.888462 where: bonds (distance) C4'-P energy: -131.638 bonds (distance) P-C4' energy: -151.404 flat angles C4'-P-C4' energy: -136.029 flat angles P-C4'-P energy: -80.489 tors. eta vs tors. theta energy: -77.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1261.743340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.743340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.743340 (E_RNA) where: Base-Base interactions energy: -763.397 where: short stacking energy: -395.541 Base-Backbone interact. energy: -1.328 local terms energy: -497.017576 where: bonds (distance) C4'-P energy: -130.575 bonds (distance) P-C4' energy: -147.450 flat angles C4'-P-C4' energy: -109.817 flat angles P-C4'-P energy: -67.075 tors. eta vs tors. theta energy: -42.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -857.675838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.675838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.675838 (E_RNA) where: Base-Base interactions energy: -409.165 where: short stacking energy: -231.611 Base-Backbone interact. energy: 4.521 local terms energy: -453.031093 where: bonds (distance) C4'-P energy: -132.663 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -116.518 flat angles P-C4'-P energy: -86.076 tors. eta vs tors. theta energy: 11.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3033.590917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.590917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.590917 (E_RNA) where: Base-Base interactions energy: -2118.027 where: short stacking energy: -925.267 Base-Backbone interact. energy: -2.876 local terms energy: -912.687696 where: bonds (distance) C4'-P energy: -170.715 bonds (distance) P-C4' energy: -160.439 flat angles C4'-P-C4' energy: -194.860 flat angles P-C4'-P energy: -119.448 tors. eta vs tors. theta energy: -267.224 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: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -2958.185805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.185805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.185805 (E_RNA) where: Base-Base interactions energy: -2062.416 where: short stacking energy: -870.992 Base-Backbone interact. energy: -3.570 local terms energy: -892.199879 where: bonds (distance) C4'-P energy: -144.078 bonds (distance) P-C4' energy: -178.207 flat angles C4'-P-C4' energy: -194.212 flat angles P-C4'-P energy: -129.614 tors. eta vs tors. theta energy: -246.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -2790.467378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.467378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.467378 (E_RNA) where: Base-Base interactions energy: -1931.412 where: short stacking energy: -856.206 Base-Backbone interact. energy: 0.086 local terms energy: -859.141561 where: bonds (distance) C4'-P energy: -157.893 bonds (distance) P-C4' energy: -162.278 flat angles C4'-P-C4' energy: -179.636 flat angles P-C4'-P energy: -121.348 tors. eta vs tors. theta energy: -237.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2565.845958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.845958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.845958 (E_RNA) where: Base-Base interactions energy: -1753.348 where: short stacking energy: -758.065 Base-Backbone interact. energy: 0.234 local terms energy: -812.731342 where: bonds (distance) C4'-P energy: -153.629 bonds (distance) P-C4' energy: -142.591 flat angles C4'-P-C4' energy: -192.692 flat angles P-C4'-P energy: -111.116 tors. eta vs tors. theta energy: -212.704 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: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2493.885623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.885623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.885623 (E_RNA) where: Base-Base interactions energy: -1719.484 where: short stacking energy: -724.048 Base-Backbone interact. energy: -0.669 local terms energy: -773.733203 where: bonds (distance) C4'-P energy: -122.856 bonds (distance) P-C4' energy: -158.199 flat angles C4'-P-C4' energy: -174.509 flat angles P-C4'-P energy: -111.785 tors. eta vs tors. theta energy: -206.385 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: 2 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2183.147040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.147040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.147040 (E_RNA) where: Base-Base interactions energy: -1473.603 where: short stacking energy: -648.508 Base-Backbone interact. energy: 0.363 local terms energy: -709.906904 where: bonds (distance) C4'-P energy: -156.022 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -166.624 flat angles P-C4'-P energy: -87.902 tors. eta vs tors. theta energy: -159.479 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: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1830.948572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.948572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.948572 (E_RNA) where: Base-Base interactions energy: -1230.969 where: short stacking energy: -516.066 Base-Backbone interact. energy: -3.659 local terms energy: -596.320504 where: bonds (distance) C4'-P energy: -129.123 bonds (distance) P-C4' energy: -137.095 flat angles C4'-P-C4' energy: -135.332 flat angles P-C4'-P energy: -95.855 tors. eta vs tors. theta energy: -98.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1696.505194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.505194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.505194 (E_RNA) where: Base-Base interactions energy: -1095.608 where: short stacking energy: -488.444 Base-Backbone interact. energy: 2.030 local terms energy: -602.927533 where: bonds (distance) C4'-P energy: -141.866 bonds (distance) P-C4' energy: -123.330 flat angles C4'-P-C4' energy: -139.522 flat angles P-C4'-P energy: -96.332 tors. eta vs tors. theta energy: -101.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1275.895324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.895324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.895324 (E_RNA) where: Base-Base interactions energy: -769.194 where: short stacking energy: -386.175 Base-Backbone interact. energy: -5.376 local terms energy: -501.324595 where: bonds (distance) C4'-P energy: -115.042 bonds (distance) P-C4' energy: -147.028 flat angles C4'-P-C4' energy: -127.111 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: -43.043 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: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -882.110195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.110195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.110195 (E_RNA) where: Base-Base interactions energy: -455.066 where: short stacking energy: -252.885 Base-Backbone interact. energy: 9.147 local terms energy: -436.190396 where: bonds (distance) C4'-P energy: -127.155 bonds (distance) P-C4' energy: -135.019 flat angles C4'-P-C4' energy: -128.854 flat angles P-C4'-P energy: -55.346 tors. eta vs tors. theta energy: 10.184 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: 1 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3034.153179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.153179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.153179 (E_RNA) where: Base-Base interactions energy: -2107.308 where: short stacking energy: -926.728 Base-Backbone interact. energy: -2.021 local terms energy: -924.824547 where: bonds (distance) C4'-P energy: -163.274 bonds (distance) P-C4' energy: -169.460 flat angles C4'-P-C4' energy: -192.055 flat angles P-C4'-P energy: -129.728 tors. eta vs tors. theta energy: -270.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -2901.949056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.949056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.949056 (E_RNA) where: Base-Base interactions energy: -2038.927 where: short stacking energy: -855.364 Base-Backbone interact. energy: 4.063 local terms energy: -867.084251 where: bonds (distance) C4'-P energy: -155.651 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -194.075 flat angles P-C4'-P energy: -133.982 tors. eta vs tors. theta energy: -234.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -2831.906414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.906414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.906414 (E_RNA) where: Base-Base interactions energy: -1958.820 where: short stacking energy: -878.146 Base-Backbone interact. energy: -3.429 local terms energy: -869.656998 where: bonds (distance) C4'-P energy: -166.820 bonds (distance) P-C4' energy: -150.268 flat angles C4'-P-C4' energy: -181.518 flat angles P-C4'-P energy: -118.011 tors. eta vs tors. theta energy: -253.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2622.192916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.192916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.192916 (E_RNA) where: Base-Base interactions energy: -1783.203 where: short stacking energy: -806.392 Base-Backbone interact. energy: -4.173 local terms energy: -834.817094 where: bonds (distance) C4'-P energy: -158.851 bonds (distance) P-C4' energy: -151.919 flat angles C4'-P-C4' energy: -167.469 flat angles P-C4'-P energy: -116.384 tors. eta vs tors. theta energy: -240.195 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: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2497.337057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.337057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.337057 (E_RNA) where: Base-Base interactions energy: -1718.219 where: short stacking energy: -749.426 Base-Backbone interact. energy: -0.481 local terms energy: -778.637635 where: bonds (distance) C4'-P energy: -144.302 bonds (distance) P-C4' energy: -153.202 flat angles C4'-P-C4' energy: -158.652 flat angles P-C4'-P energy: -112.486 tors. eta vs tors. theta energy: -209.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2159.809066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.809066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.809066 (E_RNA) where: Base-Base interactions energy: -1446.665 where: short stacking energy: -657.466 Base-Backbone interact. energy: -0.147 local terms energy: -712.997258 where: bonds (distance) C4'-P energy: -125.915 bonds (distance) P-C4' energy: -156.346 flat angles C4'-P-C4' energy: -160.867 flat angles P-C4'-P energy: -105.638 tors. eta vs tors. theta energy: -164.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1874.886376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.886376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.886376 (E_RNA) where: Base-Base interactions energy: -1265.710 where: short stacking energy: -544.469 Base-Backbone interact. energy: -5.930 local terms energy: -603.246112 where: bonds (distance) C4'-P energy: -132.975 bonds (distance) P-C4' energy: -124.278 flat angles C4'-P-C4' energy: -156.066 flat angles P-C4'-P energy: -92.999 tors. eta vs tors. theta energy: -96.929 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: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1752.330127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.330127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.330127 (E_RNA) where: Base-Base interactions energy: -1131.726 where: short stacking energy: -501.565 Base-Backbone interact. energy: 3.909 local terms energy: -624.513355 where: bonds (distance) C4'-P energy: -141.200 bonds (distance) P-C4' energy: -150.717 flat angles C4'-P-C4' energy: -136.405 flat angles P-C4'-P energy: -79.170 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: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1365.782703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.782703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.782703 (E_RNA) where: Base-Base interactions energy: -836.474 where: short stacking energy: -384.921 Base-Backbone interact. energy: 0.289 local terms energy: -529.597709 where: bonds (distance) C4'-P energy: -125.961 bonds (distance) P-C4' energy: -143.097 flat angles C4'-P-C4' energy: -134.934 flat angles P-C4'-P energy: -85.337 tors. eta vs tors. theta energy: -40.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -873.627198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.627198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.627198 (E_RNA) where: Base-Base interactions energy: -430.878 where: short stacking energy: -240.535 Base-Backbone interact. energy: 0.889 local terms energy: -443.638495 where: bonds (distance) C4'-P energy: -116.790 bonds (distance) P-C4' energy: -161.494 flat angles C4'-P-C4' energy: -123.082 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: 25.017 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: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3007.780749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.780749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.780749 (E_RNA) where: Base-Base interactions energy: -2100.448 where: short stacking energy: -923.868 Base-Backbone interact. energy: -2.463 local terms energy: -904.868951 where: bonds (distance) C4'-P energy: -155.556 bonds (distance) P-C4' energy: -169.518 flat angles C4'-P-C4' energy: -187.482 flat angles P-C4'-P energy: -131.630 tors. eta vs tors. theta energy: -260.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -2931.870789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.870789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.870789 (E_RNA) where: Base-Base interactions energy: -2048.153 where: short stacking energy: -862.643 Base-Backbone interact. energy: -3.004 local terms energy: -880.713618 where: bonds (distance) C4'-P energy: -169.018 bonds (distance) P-C4' energy: -161.561 flat angles C4'-P-C4' energy: -178.902 flat angles P-C4'-P energy: -124.620 tors. eta vs tors. theta energy: -246.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -2836.723854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.723854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.723854 (E_RNA) where: Base-Base interactions energy: -1983.249 where: short stacking energy: -871.725 Base-Backbone interact. energy: -2.234 local terms energy: -851.240944 where: bonds (distance) C4'-P energy: -147.508 bonds (distance) P-C4' energy: -152.899 flat angles C4'-P-C4' energy: -189.362 flat angles P-C4'-P energy: -114.991 tors. eta vs tors. theta energy: -246.480 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: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2586.459521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.459521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.459521 (E_RNA) where: Base-Base interactions energy: -1771.316 where: short stacking energy: -769.544 Base-Backbone interact. energy: 1.644 local terms energy: -816.787367 where: bonds (distance) C4'-P energy: -167.222 bonds (distance) P-C4' energy: -161.900 flat angles C4'-P-C4' energy: -175.329 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -221.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2451.084860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.084860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.084860 (E_RNA) where: Base-Base interactions energy: -1689.845 where: short stacking energy: -741.287 Base-Backbone interact. energy: -3.534 local terms energy: -757.706018 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -148.766 flat angles C4'-P-C4' energy: -171.535 flat angles P-C4'-P energy: -98.266 tors. eta vs tors. theta energy: -205.270 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: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2200.820188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.820188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.820188 (E_RNA) where: Base-Base interactions energy: -1478.367 where: short stacking energy: -642.381 Base-Backbone interact. energy: 1.638 local terms energy: -724.091317 where: bonds (distance) C4'-P energy: -151.234 bonds (distance) P-C4' energy: -152.985 flat angles C4'-P-C4' energy: -156.163 flat angles P-C4'-P energy: -98.806 tors. eta vs tors. theta energy: -164.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1899.288000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.288000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.288000 (E_RNA) where: Base-Base interactions energy: -1259.845 where: short stacking energy: -545.038 Base-Backbone interact. energy: -1.019 local terms energy: -638.423965 where: bonds (distance) C4'-P energy: -136.817 bonds (distance) P-C4' energy: -131.085 flat angles C4'-P-C4' energy: -152.029 flat angles P-C4'-P energy: -92.398 tors. eta vs tors. theta energy: -126.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1718.751301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.751301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.751301 (E_RNA) where: Base-Base interactions energy: -1096.855 where: short stacking energy: -494.696 Base-Backbone interact. energy: 4.607 local terms energy: -626.503513 where: bonds (distance) C4'-P energy: -127.775 bonds (distance) P-C4' energy: -143.371 flat angles C4'-P-C4' energy: -155.119 flat angles P-C4'-P energy: -84.141 tors. eta vs tors. theta energy: -116.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1311.262370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.262370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.262370 (E_RNA) where: Base-Base interactions energy: -785.083 where: short stacking energy: -372.789 Base-Backbone interact. energy: 0.081 local terms energy: -526.260011 where: bonds (distance) C4'-P energy: -148.032 bonds (distance) P-C4' energy: -131.236 flat angles C4'-P-C4' energy: -114.565 flat angles P-C4'-P energy: -83.030 tors. eta vs tors. theta energy: -49.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -891.089292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.089292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.089292 (E_RNA) where: Base-Base interactions energy: -455.958 where: short stacking energy: -277.007 Base-Backbone interact. energy: 3.306 local terms energy: -438.437604 where: bonds (distance) C4'-P energy: -116.761 bonds (distance) P-C4' energy: -135.263 flat angles C4'-P-C4' energy: -125.243 flat angles P-C4'-P energy: -66.559 tors. eta vs tors. theta energy: 5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -2996.293081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.293081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.293081 (E_RNA) where: Base-Base interactions energy: -2084.590 where: short stacking energy: -914.641 Base-Backbone interact. energy: -3.855 local terms energy: -907.848279 where: bonds (distance) C4'-P energy: -157.884 bonds (distance) P-C4' energy: -160.662 flat angles C4'-P-C4' energy: -195.230 flat angles P-C4'-P energy: -129.573 tors. eta vs tors. theta energy: -264.500 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: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -2915.382098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.382098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.382098 (E_RNA) where: Base-Base interactions energy: -2040.239 where: short stacking energy: -823.174 Base-Backbone interact. energy: -4.432 local terms energy: -870.710853 where: bonds (distance) C4'-P energy: -163.049 bonds (distance) P-C4' energy: -169.940 flat angles C4'-P-C4' energy: -189.637 flat angles P-C4'-P energy: -121.584 tors. eta vs tors. theta energy: -226.500 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: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -2781.322038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.322038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.322038 (E_RNA) where: Base-Base interactions energy: -1904.498 where: short stacking energy: -811.356 Base-Backbone interact. energy: -8.346 local terms energy: -868.477642 where: bonds (distance) C4'-P energy: -155.367 bonds (distance) P-C4' energy: -156.061 flat angles C4'-P-C4' energy: -183.265 flat angles P-C4'-P energy: -131.607 tors. eta vs tors. theta energy: -242.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2587.988764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.988764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.988764 (E_RNA) where: Base-Base interactions energy: -1751.659 where: short stacking energy: -779.059 Base-Backbone interact. energy: 0.171 local terms energy: -836.500618 where: bonds (distance) C4'-P energy: -161.859 bonds (distance) P-C4' energy: -158.953 flat angles C4'-P-C4' energy: -168.705 flat angles P-C4'-P energy: -111.581 tors. eta vs tors. theta energy: -235.402 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: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2471.773320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.773320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.773320 (E_RNA) where: Base-Base interactions energy: -1718.064 where: short stacking energy: -721.637 Base-Backbone interact. energy: -5.669 local terms energy: -748.040928 where: bonds (distance) C4'-P energy: -141.568 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -155.677 flat angles P-C4'-P energy: -112.210 tors. eta vs tors. theta energy: -194.694 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: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2134.698017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.698017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.698017 (E_RNA) where: Base-Base interactions energy: -1449.405 where: short stacking energy: -631.530 Base-Backbone interact. energy: -3.079 local terms energy: -682.214357 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -136.769 flat angles C4'-P-C4' energy: -172.049 flat angles P-C4'-P energy: -87.019 tors. eta vs tors. theta energy: -152.711 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: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1889.488787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.488787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.488787 (E_RNA) where: Base-Base interactions energy: -1247.099 where: short stacking energy: -527.503 Base-Backbone interact. energy: -7.694 local terms energy: -634.696121 where: bonds (distance) C4'-P energy: -107.614 bonds (distance) P-C4' energy: -156.356 flat angles C4'-P-C4' energy: -154.286 flat angles P-C4'-P energy: -101.529 tors. eta vs tors. theta energy: -114.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1701.270928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.270928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.270928 (E_RNA) where: Base-Base interactions energy: -1126.900 where: short stacking energy: -503.654 Base-Backbone interact. energy: -0.893 local terms energy: -573.477945 where: bonds (distance) C4'-P energy: -105.934 bonds (distance) P-C4' energy: -133.683 flat angles C4'-P-C4' energy: -150.140 flat angles P-C4'-P energy: -83.743 tors. eta vs tors. theta energy: -99.978 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: 8 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1327.028547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.028547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.028547 (E_RNA) where: Base-Base interactions energy: -813.045 where: short stacking energy: -361.545 Base-Backbone interact. energy: 0.024 local terms energy: -514.007641 where: bonds (distance) C4'-P energy: -129.023 bonds (distance) P-C4' energy: -127.220 flat angles C4'-P-C4' energy: -147.144 flat angles P-C4'-P energy: -73.264 tors. eta vs tors. theta energy: -37.358 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: 6 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -862.626505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.626505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.626505 (E_RNA) where: Base-Base interactions energy: -411.179 where: short stacking energy: -258.388 Base-Backbone interact. energy: -1.844 local terms energy: -449.602672 where: bonds (distance) C4'-P energy: -125.834 bonds (distance) P-C4' energy: -137.642 flat angles C4'-P-C4' energy: -123.563 flat angles P-C4'-P energy: -74.125 tors. eta vs tors. theta energy: 11.562 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: 285 Temperature: 0.900000 Total energy: -2992.884165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.884165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.884165 (E_RNA) where: Base-Base interactions energy: -2093.132 where: short stacking energy: -934.711 Base-Backbone interact. energy: -0.482 local terms energy: -899.269650 where: bonds (distance) C4'-P energy: -161.039 bonds (distance) P-C4' energy: -137.507 flat angles C4'-P-C4' energy: -200.970 flat angles P-C4'-P energy: -125.412 tors. eta vs tors. theta energy: -274.341 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: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -2916.688747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.688747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.688747 (E_RNA) where: Base-Base interactions energy: -2021.101 where: short stacking energy: -877.649 Base-Backbone interact. energy: -1.806 local terms energy: -893.781782 where: bonds (distance) C4'-P energy: -165.552 bonds (distance) P-C4' energy: -153.035 flat angles C4'-P-C4' energy: -188.812 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -253.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -2803.076288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.076288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.076288 (E_RNA) where: Base-Base interactions energy: -1958.099 where: short stacking energy: -835.671 Base-Backbone interact. energy: -3.562 local terms energy: -841.415209 where: bonds (distance) C4'-P energy: -148.823 bonds (distance) P-C4' energy: -159.753 flat angles C4'-P-C4' energy: -173.110 flat angles P-C4'-P energy: -120.821 tors. eta vs tors. theta energy: -238.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2552.773234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.773234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.773234 (E_RNA) where: Base-Base interactions energy: -1743.487 where: short stacking energy: -776.458 Base-Backbone interact. energy: -1.039 local terms energy: -808.247830 where: bonds (distance) C4'-P energy: -141.514 bonds (distance) P-C4' energy: -159.811 flat angles C4'-P-C4' energy: -166.823 flat angles P-C4'-P energy: -123.594 tors. eta vs tors. theta energy: -216.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2480.770956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.770956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.770956 (E_RNA) where: Base-Base interactions energy: -1718.117 where: short stacking energy: -706.680 Base-Backbone interact. energy: -1.020 local terms energy: -761.634043 where: bonds (distance) C4'-P energy: -145.089 bonds (distance) P-C4' energy: -148.246 flat angles C4'-P-C4' energy: -157.061 flat angles P-C4'-P energy: -116.848 tors. eta vs tors. theta energy: -194.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2126.415564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.415564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.415564 (E_RNA) where: Base-Base interactions energy: -1444.822 where: short stacking energy: -617.246 Base-Backbone interact. energy: -2.859 local terms energy: -678.735091 where: bonds (distance) C4'-P energy: -137.935 bonds (distance) P-C4' energy: -158.896 flat angles C4'-P-C4' energy: -146.845 flat angles P-C4'-P energy: -91.024 tors. eta vs tors. theta energy: -144.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1871.450514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.450514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.450514 (E_RNA) where: Base-Base interactions energy: -1260.004 where: short stacking energy: -568.272 Base-Backbone interact. energy: -1.925 local terms energy: -609.522122 where: bonds (distance) C4'-P energy: -116.548 bonds (distance) P-C4' energy: -137.250 flat angles C4'-P-C4' energy: -156.489 flat angles P-C4'-P energy: -86.801 tors. eta vs tors. theta energy: -112.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1668.195199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.195199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.195199 (E_RNA) where: Base-Base interactions energy: -1091.043 where: short stacking energy: -496.636 Base-Backbone interact. energy: -2.133 local terms energy: -575.019286 where: bonds (distance) C4'-P energy: -132.428 bonds (distance) P-C4' energy: -122.997 flat angles C4'-P-C4' energy: -139.648 flat angles P-C4'-P energy: -81.532 tors. eta vs tors. theta energy: -98.414 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: 9, replica: 8 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1424.978052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.978052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.978052 (E_RNA) where: Base-Base interactions energy: -914.736 where: short stacking energy: -408.787 Base-Backbone interact. energy: 12.930 local terms energy: -523.171360 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -126.210 flat angles C4'-P-C4' energy: -135.871 flat angles P-C4'-P energy: -91.969 tors. eta vs tors. theta energy: -55.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -903.237382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.237382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.237382 (E_RNA) where: Base-Base interactions energy: -445.941 where: short stacking energy: -263.949 Base-Backbone interact. energy: 12.015 local terms energy: -469.311336 where: bonds (distance) C4'-P energy: -137.601 bonds (distance) P-C4' energy: -130.670 flat angles C4'-P-C4' energy: -123.986 flat angles P-C4'-P energy: -74.827 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3037.918553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.918553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.918553 (E_RNA) where: Base-Base interactions energy: -2131.610 where: short stacking energy: -917.151 Base-Backbone interact. energy: -4.649 local terms energy: -901.659214 where: bonds (distance) C4'-P energy: -154.362 bonds (distance) P-C4' energy: -161.000 flat angles C4'-P-C4' energy: -197.644 flat angles P-C4'-P energy: -120.366 tors. eta vs tors. theta energy: -268.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -2926.874255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.874255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.874255 (E_RNA) where: Base-Base interactions energy: -2052.669 where: short stacking energy: -853.822 Base-Backbone interact. energy: 1.832 local terms energy: -876.037514 where: bonds (distance) C4'-P energy: -162.880 bonds (distance) P-C4' energy: -166.771 flat angles C4'-P-C4' energy: -173.102 flat angles P-C4'-P energy: -128.672 tors. eta vs tors. theta energy: -244.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -2798.919683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.919683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.919683 (E_RNA) where: Base-Base interactions energy: -1948.604 where: short stacking energy: -843.294 Base-Backbone interact. energy: -2.842 local terms energy: -847.473127 where: bonds (distance) C4'-P energy: -160.303 bonds (distance) P-C4' energy: -146.502 flat angles C4'-P-C4' energy: -184.519 flat angles P-C4'-P energy: -120.571 tors. eta vs tors. theta energy: -235.578 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: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2582.364990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.364990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.364990 (E_RNA) where: Base-Base interactions energy: -1765.304 where: short stacking energy: -806.663 Base-Backbone interact. energy: 2.032 local terms energy: -819.093652 where: bonds (distance) C4'-P energy: -152.163 bonds (distance) P-C4' energy: -145.587 flat angles C4'-P-C4' energy: -174.615 flat angles P-C4'-P energy: -118.259 tors. eta vs tors. theta energy: -228.470 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: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2486.425445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.425445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.425445 (E_RNA) where: Base-Base interactions energy: -1722.945 where: short stacking energy: -712.219 Base-Backbone interact. energy: -3.267 local terms energy: -760.212899 where: bonds (distance) C4'-P energy: -145.875 bonds (distance) P-C4' energy: -140.263 flat angles C4'-P-C4' energy: -181.638 flat angles P-C4'-P energy: -107.070 tors. eta vs tors. theta energy: -185.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2084.074307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.074307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.074307 (E_RNA) where: Base-Base interactions energy: -1407.740 where: short stacking energy: -604.204 Base-Backbone interact. energy: -3.817 local terms energy: -672.517330 where: bonds (distance) C4'-P energy: -148.330 bonds (distance) P-C4' energy: -132.021 flat angles C4'-P-C4' energy: -162.633 flat angles P-C4'-P energy: -87.319 tors. eta vs tors. theta energy: -142.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1885.465189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.465189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.465189 (E_RNA) where: Base-Base interactions energy: -1247.813 where: short stacking energy: -560.052 Base-Backbone interact. energy: 1.385 local terms energy: -639.036999 where: bonds (distance) C4'-P energy: -132.900 bonds (distance) P-C4' energy: -142.272 flat angles C4'-P-C4' energy: -150.601 flat angles P-C4'-P energy: -112.024 tors. eta vs tors. theta energy: -101.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1635.385933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.385933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.385933 (E_RNA) where: Base-Base interactions energy: -1033.417 where: short stacking energy: -479.363 Base-Backbone interact. energy: -3.890 local terms energy: -598.078715 where: bonds (distance) C4'-P energy: -130.396 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -142.396 flat angles P-C4'-P energy: -78.577 tors. eta vs tors. theta energy: -96.522 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: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1380.321984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.321984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.321984 (E_RNA) where: Base-Base interactions energy: -816.847 where: short stacking energy: -419.760 Base-Backbone interact. energy: 5.642 local terms energy: -569.116953 where: bonds (distance) C4'-P energy: -139.852 bonds (distance) P-C4' energy: -146.645 flat angles C4'-P-C4' energy: -131.357 flat angles P-C4'-P energy: -75.708 tors. eta vs tors. theta energy: -75.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -908.009263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.009263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.009263 (E_RNA) where: Base-Base interactions energy: -471.832 where: short stacking energy: -243.315 Base-Backbone interact. energy: -0.615 local terms energy: -435.561979 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -129.239 flat angles C4'-P-C4' energy: -117.513 flat angles P-C4'-P energy: -50.172 tors. eta vs tors. theta energy: 2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3005.465619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.465619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.465619 (E_RNA) where: Base-Base interactions energy: -2058.822 where: short stacking energy: -918.365 Base-Backbone interact. energy: -3.673 local terms energy: -942.970373 where: bonds (distance) C4'-P energy: -157.549 bonds (distance) P-C4' energy: -179.854 flat angles C4'-P-C4' energy: -193.994 flat angles P-C4'-P energy: -140.590 tors. eta vs tors. theta energy: -270.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -2915.301805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.301805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.301805 (E_RNA) where: Base-Base interactions energy: -2013.286 where: short stacking energy: -822.491 Base-Backbone interact. energy: -4.495 local terms energy: -897.521090 where: bonds (distance) C4'-P energy: -169.618 bonds (distance) P-C4' energy: -175.171 flat angles C4'-P-C4' energy: -175.359 flat angles P-C4'-P energy: -137.476 tors. eta vs tors. theta energy: -239.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2790.552776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.552776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.552776 (E_RNA) where: Base-Base interactions energy: -1926.236 where: short stacking energy: -837.904 Base-Backbone interact. energy: -2.673 local terms energy: -861.643630 where: bonds (distance) C4'-P energy: -161.316 bonds (distance) P-C4' energy: -156.042 flat angles C4'-P-C4' energy: -197.858 flat angles P-C4'-P energy: -124.751 tors. eta vs tors. theta energy: -221.677 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: 3 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2556.314476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.314476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.314476 (E_RNA) where: Base-Base interactions energy: -1713.146 where: short stacking energy: -783.073 Base-Backbone interact. energy: -3.455 local terms energy: -839.712966 where: bonds (distance) C4'-P energy: -164.235 bonds (distance) P-C4' energy: -150.703 flat angles C4'-P-C4' energy: -178.666 flat angles P-C4'-P energy: -116.437 tors. eta vs tors. theta energy: -229.672 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: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2472.211339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.211339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.211339 (E_RNA) where: Base-Base interactions energy: -1690.260 where: short stacking energy: -737.763 Base-Backbone interact. energy: -2.171 local terms energy: -779.779725 where: bonds (distance) C4'-P energy: -144.092 bonds (distance) P-C4' energy: -162.152 flat angles C4'-P-C4' energy: -173.669 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -186.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2061.346656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.346656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.346656 (E_RNA) where: Base-Base interactions energy: -1399.494 where: short stacking energy: -624.968 Base-Backbone interact. energy: 0.841 local terms energy: -662.694034 where: bonds (distance) C4'-P energy: -125.041 bonds (distance) P-C4' energy: -150.900 flat angles C4'-P-C4' energy: -158.235 flat angles P-C4'-P energy: -97.721 tors. eta vs tors. theta energy: -130.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1848.896830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.896830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.896830 (E_RNA) where: Base-Base interactions energy: -1197.634 where: short stacking energy: -514.670 Base-Backbone interact. energy: -0.223 local terms energy: -651.039428 where: bonds (distance) C4'-P energy: -148.773 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -145.262 flat angles P-C4'-P energy: -99.326 tors. eta vs tors. theta energy: -104.854 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: 287 Temperature: 1.250000 Total energy: -1631.060037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.060037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.060037 (E_RNA) where: Base-Base interactions energy: -1044.465 where: short stacking energy: -477.003 Base-Backbone interact. energy: -4.559 local terms energy: -582.036080 where: bonds (distance) C4'-P energy: -120.797 bonds (distance) P-C4' energy: -159.942 flat angles C4'-P-C4' energy: -141.464 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -79.433 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: 8 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1387.983120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.983120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.983120 (E_RNA) where: Base-Base interactions energy: -882.876 where: short stacking energy: -419.760 Base-Backbone interact. energy: 10.194 local terms energy: -515.301332 where: bonds (distance) C4'-P energy: -120.639 bonds (distance) P-C4' energy: -140.939 flat angles C4'-P-C4' energy: -136.341 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -60.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -942.225421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.225421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.225421 (E_RNA) where: Base-Base interactions energy: -504.632 where: short stacking energy: -269.961 Base-Backbone interact. energy: 3.757 local terms energy: -441.349680 where: bonds (distance) C4'-P energy: -120.352 bonds (distance) P-C4' energy: -139.664 flat angles C4'-P-C4' energy: -115.380 flat angles P-C4'-P energy: -70.093 tors. eta vs tors. theta energy: 4.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3010.135420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.135420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.135420 (E_RNA) where: Base-Base interactions energy: -2098.147 where: short stacking energy: -931.624 Base-Backbone interact. energy: -3.058 local terms energy: -908.930692 where: bonds (distance) C4'-P energy: -172.511 bonds (distance) P-C4' energy: -154.099 flat angles C4'-P-C4' energy: -192.701 flat angles P-C4'-P energy: -121.635 tors. eta vs tors. theta energy: -267.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -2937.939501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.939501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.939501 (E_RNA) where: Base-Base interactions energy: -2053.246 where: short stacking energy: -848.778 Base-Backbone interact. energy: -2.158 local terms energy: -882.535036 where: bonds (distance) C4'-P energy: -156.982 bonds (distance) P-C4' energy: -166.749 flat angles C4'-P-C4' energy: -199.348 flat angles P-C4'-P energy: -123.837 tors. eta vs tors. theta energy: -235.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2796.130493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.130493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.130493 (E_RNA) where: Base-Base interactions energy: -1934.466 where: short stacking energy: -847.445 Base-Backbone interact. energy: -1.668 local terms energy: -859.996671 where: bonds (distance) C4'-P energy: -156.267 bonds (distance) P-C4' energy: -163.473 flat angles C4'-P-C4' energy: -181.896 flat angles P-C4'-P energy: -120.596 tors. eta vs tors. theta energy: -237.765 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: 3 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2611.957751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.957751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.957751 (E_RNA) where: Base-Base interactions energy: -1782.385 where: short stacking energy: -819.384 Base-Backbone interact. energy: -0.611 local terms energy: -828.961722 where: bonds (distance) C4'-P energy: -157.371 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -181.416 flat angles P-C4'-P energy: -111.190 tors. eta vs tors. theta energy: -230.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2435.757859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.757859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.757859 (E_RNA) where: Base-Base interactions energy: -1681.964 where: short stacking energy: -749.654 Base-Backbone interact. energy: -1.609 local terms energy: -752.184739 where: bonds (distance) C4'-P energy: -155.174 bonds (distance) P-C4' energy: -139.362 flat angles C4'-P-C4' energy: -159.453 flat angles P-C4'-P energy: -113.008 tors. eta vs tors. theta energy: -185.188 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: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2053.966138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.966138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.966138 (E_RNA) where: Base-Base interactions energy: -1386.593 where: short stacking energy: -614.202 Base-Backbone interact. energy: 0.703 local terms energy: -668.076360 where: bonds (distance) C4'-P energy: -130.355 bonds (distance) P-C4' energy: -128.915 flat angles C4'-P-C4' energy: -157.185 flat angles P-C4'-P energy: -108.443 tors. eta vs tors. theta energy: -143.179 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: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1879.287250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.287250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.287250 (E_RNA) where: Base-Base interactions energy: -1233.573 where: short stacking energy: -528.529 Base-Backbone interact. energy: 1.106 local terms energy: -646.819855 where: bonds (distance) C4'-P energy: -136.527 bonds (distance) P-C4' energy: -146.184 flat angles C4'-P-C4' energy: -158.349 flat angles P-C4'-P energy: -90.821 tors. eta vs tors. theta energy: -114.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1583.883074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.883074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.883074 (E_RNA) where: Base-Base interactions energy: -1046.293 where: short stacking energy: -458.480 Base-Backbone interact. energy: 0.974 local terms energy: -538.563690 where: bonds (distance) C4'-P energy: -125.880 bonds (distance) P-C4' energy: -144.801 flat angles C4'-P-C4' energy: -138.484 flat angles P-C4'-P energy: -62.855 tors. eta vs tors. theta energy: -66.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1426.449377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.449377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.449377 (E_RNA) where: Base-Base interactions energy: -865.464 where: short stacking energy: -388.974 Base-Backbone interact. energy: 3.344 local terms energy: -564.328777 where: bonds (distance) C4'-P energy: -127.944 bonds (distance) P-C4' energy: -150.949 flat angles C4'-P-C4' energy: -152.926 flat angles P-C4'-P energy: -82.684 tors. eta vs tors. theta energy: -49.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -951.024981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.024981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.024981 (E_RNA) where: Base-Base interactions energy: -504.237 where: short stacking energy: -290.516 Base-Backbone interact. energy: 9.347 local terms energy: -456.135764 where: bonds (distance) C4'-P energy: -125.957 bonds (distance) P-C4' energy: -141.804 flat angles C4'-P-C4' energy: -129.700 flat angles P-C4'-P energy: -44.052 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -2976.218493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.218493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.218493 (E_RNA) where: Base-Base interactions energy: -2067.149 where: short stacking energy: -910.473 Base-Backbone interact. energy: -2.566 local terms energy: -906.504264 where: bonds (distance) C4'-P energy: -163.971 bonds (distance) P-C4' energy: -157.601 flat angles C4'-P-C4' energy: -189.075 flat angles P-C4'-P energy: -133.097 tors. eta vs tors. theta energy: -262.761 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: 10 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -2930.472881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.472881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.472881 (E_RNA) where: Base-Base interactions energy: -2056.914 where: short stacking energy: -877.607 Base-Backbone interact. energy: 0.184 local terms energy: -873.742860 where: bonds (distance) C4'-P energy: -161.108 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -126.741 tors. eta vs tors. theta energy: -245.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2813.387572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.387572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.387572 (E_RNA) where: Base-Base interactions energy: -1961.752 where: short stacking energy: -874.686 Base-Backbone interact. energy: -0.717 local terms energy: -850.918152 where: bonds (distance) C4'-P energy: -161.831 bonds (distance) P-C4' energy: -144.958 flat angles C4'-P-C4' energy: -193.433 flat angles P-C4'-P energy: -119.475 tors. eta vs tors. theta energy: -231.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2619.388385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.388385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.388385 (E_RNA) where: Base-Base interactions energy: -1810.152 where: short stacking energy: -791.988 Base-Backbone interact. energy: -2.754 local terms energy: -806.482975 where: bonds (distance) C4'-P energy: -157.182 bonds (distance) P-C4' energy: -151.359 flat angles C4'-P-C4' energy: -169.960 flat angles P-C4'-P energy: -101.285 tors. eta vs tors. theta energy: -226.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2477.211347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.211347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.211347 (E_RNA) where: Base-Base interactions energy: -1749.072 where: short stacking energy: -738.601 Base-Backbone interact. energy: -4.278 local terms energy: -723.861602 where: bonds (distance) C4'-P energy: -137.391 bonds (distance) P-C4' energy: -131.553 flat angles C4'-P-C4' energy: -167.031 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -184.831 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: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2058.508291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.508291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.508291 (E_RNA) where: Base-Base interactions energy: -1386.871 where: short stacking energy: -621.582 Base-Backbone interact. energy: 5.089 local terms energy: -676.726507 where: bonds (distance) C4'-P energy: -147.776 bonds (distance) P-C4' energy: -143.256 flat angles C4'-P-C4' energy: -143.090 flat angles P-C4'-P energy: -90.227 tors. eta vs tors. theta energy: -152.377 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: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1790.024161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.024161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.024161 (E_RNA) where: Base-Base interactions energy: -1203.343 where: short stacking energy: -527.786 Base-Backbone interact. energy: -2.117 local terms energy: -584.564726 where: bonds (distance) C4'-P energy: -123.519 bonds (distance) P-C4' energy: -156.068 flat angles C4'-P-C4' energy: -142.924 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -102.490 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: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1630.236958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.236958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.236958 (E_RNA) where: Base-Base interactions energy: -1095.182 where: short stacking energy: -483.874 Base-Backbone interact. energy: 3.770 local terms energy: -538.825182 where: bonds (distance) C4'-P energy: -119.461 bonds (distance) P-C4' energy: -135.407 flat angles C4'-P-C4' energy: -148.178 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: -60.956 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: 9, replica: 8 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1454.952756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.952756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.952756 (E_RNA) where: Base-Base interactions energy: -943.157 where: short stacking energy: -434.329 Base-Backbone interact. energy: 2.180 local terms energy: -513.974993 where: bonds (distance) C4'-P energy: -125.609 bonds (distance) P-C4' energy: -114.076 flat angles C4'-P-C4' energy: -125.331 flat angles P-C4'-P energy: -85.570 tors. eta vs tors. theta energy: -63.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1014.208442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.208442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.208442 (E_RNA) where: Base-Base interactions energy: -567.607 where: short stacking energy: -311.180 Base-Backbone interact. energy: -1.064 local terms energy: -445.536959 where: bonds (distance) C4'-P energy: -117.802 bonds (distance) P-C4' energy: -122.702 flat angles C4'-P-C4' energy: -120.391 flat angles P-C4'-P energy: -78.039 tors. eta vs tors. theta energy: -6.603 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: 10 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3014.966073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.966073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.966073 (E_RNA) where: Base-Base interactions energy: -2116.112 where: short stacking energy: -885.668 Base-Backbone interact. energy: 4.164 local terms energy: -903.017663 where: bonds (distance) C4'-P energy: -154.716 bonds (distance) P-C4' energy: -167.925 flat angles C4'-P-C4' energy: -200.042 flat angles P-C4'-P energy: -129.303 tors. eta vs tors. theta energy: -251.031 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: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -2905.528758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.528758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.528758 (E_RNA) where: Base-Base interactions energy: -1993.080 where: short stacking energy: -880.080 Base-Backbone interact. energy: -2.435 local terms energy: -910.013773 where: bonds (distance) C4'-P energy: -167.524 bonds (distance) P-C4' energy: -167.138 flat angles C4'-P-C4' energy: -188.263 flat angles P-C4'-P energy: -124.528 tors. eta vs tors. theta energy: -262.560 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: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -2755.412588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.412588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.412588 (E_RNA) where: Base-Base interactions energy: -1933.185 where: short stacking energy: -860.260 Base-Backbone interact. energy: -2.316 local terms energy: -819.912235 where: bonds (distance) C4'-P energy: -157.954 bonds (distance) P-C4' energy: -157.643 flat angles C4'-P-C4' energy: -180.008 flat angles P-C4'-P energy: -98.551 tors. eta vs tors. theta energy: -225.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2610.876613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.876613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.876613 (E_RNA) where: Base-Base interactions energy: -1791.651 where: short stacking energy: -779.600 Base-Backbone interact. energy: 1.953 local terms energy: -821.178535 where: bonds (distance) C4'-P energy: -132.693 bonds (distance) P-C4' energy: -163.686 flat angles C4'-P-C4' energy: -187.171 flat angles P-C4'-P energy: -114.235 tors. eta vs tors. theta energy: -223.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2501.166259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.166259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.166259 (E_RNA) where: Base-Base interactions energy: -1769.312 where: short stacking energy: -728.697 Base-Backbone interact. energy: -0.260 local terms energy: -731.593739 where: bonds (distance) C4'-P energy: -136.838 bonds (distance) P-C4' energy: -141.517 flat angles C4'-P-C4' energy: -155.102 flat angles P-C4'-P energy: -112.778 tors. eta vs tors. theta energy: -185.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2120.064044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.064044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.064044 (E_RNA) where: Base-Base interactions energy: -1372.524 where: short stacking energy: -659.343 Base-Backbone interact. energy: -3.680 local terms energy: -743.860073 where: bonds (distance) C4'-P energy: -143.667 bonds (distance) P-C4' energy: -152.126 flat angles C4'-P-C4' energy: -166.974 flat angles P-C4'-P energy: -107.053 tors. eta vs tors. theta energy: -174.041 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: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1787.147619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.147619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.147619 (E_RNA) where: Base-Base interactions energy: -1164.814 where: short stacking energy: -507.401 Base-Backbone interact. energy: -0.963 local terms energy: -621.371175 where: bonds (distance) C4'-P energy: -140.812 bonds (distance) P-C4' energy: -143.284 flat angles C4'-P-C4' energy: -139.240 flat angles P-C4'-P energy: -100.718 tors. eta vs tors. theta energy: -97.317 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: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1592.994570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.994570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.994570 (E_RNA) where: Base-Base interactions energy: -1007.644 where: short stacking energy: -446.853 Base-Backbone interact. energy: -2.929 local terms energy: -582.421497 where: bonds (distance) C4'-P energy: -136.139 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -134.036 flat angles P-C4'-P energy: -82.433 tors. eta vs tors. theta energy: -80.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1490.628817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.628817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.628817 (E_RNA) where: Base-Base interactions energy: -934.607 where: short stacking energy: -415.402 Base-Backbone interact. energy: 4.179 local terms energy: -560.201120 where: bonds (distance) C4'-P energy: -133.301 bonds (distance) P-C4' energy: -129.023 flat angles C4'-P-C4' energy: -144.768 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -62.412 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: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1000.179346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.179346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.179346 (E_RNA) where: Base-Base interactions energy: -558.437 where: short stacking energy: -281.503 Base-Backbone interact. energy: 3.800 local terms energy: -445.542086 where: bonds (distance) C4'-P energy: -126.697 bonds (distance) P-C4' energy: -133.506 flat angles C4'-P-C4' energy: -129.088 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -3.025 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: 10 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3015.679678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.679678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.679678 (E_RNA) where: Base-Base interactions energy: -2127.036 where: short stacking energy: -876.259 Base-Backbone interact. energy: -2.548 local terms energy: -886.096120 where: bonds (distance) C4'-P energy: -162.597 bonds (distance) P-C4' energy: -163.770 flat angles C4'-P-C4' energy: -186.718 flat angles P-C4'-P energy: -130.885 tors. eta vs tors. theta energy: -242.126 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: 291 Temperature: 0.950000 Total energy: -2943.021248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.021248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.021248 (E_RNA) where: Base-Base interactions energy: -2051.540 where: short stacking energy: -882.608 Base-Backbone interact. energy: -1.581 local terms energy: -889.899582 where: bonds (distance) C4'-P energy: -143.721 bonds (distance) P-C4' energy: -167.420 flat angles C4'-P-C4' energy: -186.769 flat angles P-C4'-P energy: -126.912 tors. eta vs tors. theta energy: -265.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -2764.813610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.813610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.813610 (E_RNA) where: Base-Base interactions energy: -1869.192 where: short stacking energy: -834.133 Base-Backbone interact. energy: -1.758 local terms energy: -893.863338 where: bonds (distance) C4'-P energy: -170.538 bonds (distance) P-C4' energy: -172.904 flat angles C4'-P-C4' energy: -183.777 flat angles P-C4'-P energy: -129.813 tors. eta vs tors. theta energy: -236.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2574.803066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.803066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.803066 (E_RNA) where: Base-Base interactions energy: -1781.390 where: short stacking energy: -766.161 Base-Backbone interact. energy: -3.566 local terms energy: -789.847655 where: bonds (distance) C4'-P energy: -140.483 bonds (distance) P-C4' energy: -152.842 flat angles C4'-P-C4' energy: -175.260 flat angles P-C4'-P energy: -113.138 tors. eta vs tors. theta energy: -208.124 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: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2465.233948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.233948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.233948 (E_RNA) where: Base-Base interactions energy: -1724.304 where: short stacking energy: -724.414 Base-Backbone interact. energy: -2.006 local terms energy: -738.924108 where: bonds (distance) C4'-P energy: -130.648 bonds (distance) P-C4' energy: -156.685 flat angles C4'-P-C4' energy: -157.213 flat angles P-C4'-P energy: -113.366 tors. eta vs tors. theta energy: -181.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2167.641330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.641330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.641330 (E_RNA) where: Base-Base interactions energy: -1452.018 where: short stacking energy: -647.065 Base-Backbone interact. energy: -1.924 local terms energy: -713.699010 where: bonds (distance) C4'-P energy: -135.172 bonds (distance) P-C4' energy: -155.855 flat angles C4'-P-C4' energy: -152.195 flat angles P-C4'-P energy: -102.536 tors. eta vs tors. theta energy: -167.941 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: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1916.615870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.615870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.615870 (E_RNA) where: Base-Base interactions energy: -1207.271 where: short stacking energy: -570.018 Base-Backbone interact. energy: -1.350 local terms energy: -707.994997 where: bonds (distance) C4'-P energy: -148.491 bonds (distance) P-C4' energy: -150.051 flat angles C4'-P-C4' energy: -156.691 flat angles P-C4'-P energy: -109.817 tors. eta vs tors. theta energy: -142.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1653.710240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.710240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.710240 (E_RNA) where: Base-Base interactions energy: -1068.240 where: short stacking energy: -494.030 Base-Backbone interact. energy: -4.644 local terms energy: -580.826010 where: bonds (distance) C4'-P energy: -123.308 bonds (distance) P-C4' energy: -136.570 flat angles C4'-P-C4' energy: -136.434 flat angles P-C4'-P energy: -96.131 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1424.130453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.130453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.130453 (E_RNA) where: Base-Base interactions energy: -874.230 where: short stacking energy: -404.584 Base-Backbone interact. energy: 1.575 local terms energy: -551.475728 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -124.885 flat angles C4'-P-C4' energy: -146.962 flat angles P-C4'-P energy: -69.260 tors. eta vs tors. theta energy: -56.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1021.443724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.443724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.443724 (E_RNA) where: Base-Base interactions energy: -565.507 where: short stacking energy: -306.634 Base-Backbone interact. energy: 4.552 local terms energy: -460.488276 where: bonds (distance) C4'-P energy: -107.362 bonds (distance) P-C4' energy: -136.688 flat angles C4'-P-C4' energy: -119.277 flat angles P-C4'-P energy: -80.780 tors. eta vs tors. theta energy: -16.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3001.658098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.658098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.658098 (E_RNA) where: Base-Base interactions energy: -2084.112 where: short stacking energy: -861.416 Base-Backbone interact. energy: -2.325 local terms energy: -915.221169 where: bonds (distance) C4'-P energy: -157.526 bonds (distance) P-C4' energy: -169.531 flat angles C4'-P-C4' energy: -193.669 flat angles P-C4'-P energy: -139.418 tors. eta vs tors. theta energy: -255.077 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: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -2922.391894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.391894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.391894 (E_RNA) where: Base-Base interactions energy: -2045.301 where: short stacking energy: -868.056 Base-Backbone interact. energy: -2.187 local terms energy: -874.903988 where: bonds (distance) C4'-P energy: -155.021 bonds (distance) P-C4' energy: -148.983 flat angles C4'-P-C4' energy: -179.662 flat angles P-C4'-P energy: -133.296 tors. eta vs tors. theta energy: -257.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -2773.105157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.105157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.105157 (E_RNA) where: Base-Base interactions energy: -1944.477 where: short stacking energy: -837.558 Base-Backbone interact. energy: -2.120 local terms energy: -826.508066 where: bonds (distance) C4'-P energy: -137.996 bonds (distance) P-C4' energy: -159.323 flat angles C4'-P-C4' energy: -194.910 flat angles P-C4'-P energy: -91.024 tors. eta vs tors. theta energy: -243.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2608.922576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.922576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.922576 (E_RNA) where: Base-Base interactions energy: -1775.293 where: short stacking energy: -801.473 Base-Backbone interact. energy: -3.169 local terms energy: -830.460644 where: bonds (distance) C4'-P energy: -153.993 bonds (distance) P-C4' energy: -149.147 flat angles C4'-P-C4' energy: -179.574 flat angles P-C4'-P energy: -117.046 tors. eta vs tors. theta energy: -230.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2467.539421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.539421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.539421 (E_RNA) where: Base-Base interactions energy: -1711.980 where: short stacking energy: -721.821 Base-Backbone interact. energy: -2.387 local terms energy: -753.172017 where: bonds (distance) C4'-P energy: -140.503 bonds (distance) P-C4' energy: -144.718 flat angles C4'-P-C4' energy: -166.477 flat angles P-C4'-P energy: -113.229 tors. eta vs tors. theta energy: -188.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2144.751846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.751846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.751846 (E_RNA) where: Base-Base interactions energy: -1443.188 where: short stacking energy: -639.386 Base-Backbone interact. energy: -1.585 local terms energy: -699.978644 where: bonds (distance) C4'-P energy: -128.722 bonds (distance) P-C4' energy: -140.228 flat angles C4'-P-C4' energy: -147.819 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -164.167 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: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1846.592896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.592896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.592896 (E_RNA) where: Base-Base interactions energy: -1212.855 where: short stacking energy: -521.457 Base-Backbone interact. energy: 1.923 local terms energy: -635.661096 where: bonds (distance) C4'-P energy: -132.804 bonds (distance) P-C4' energy: -159.678 flat angles C4'-P-C4' energy: -156.714 flat angles P-C4'-P energy: -90.369 tors. eta vs tors. theta energy: -96.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1633.437532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.437532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.437532 (E_RNA) where: Base-Base interactions energy: -1014.246 where: short stacking energy: -433.258 Base-Backbone interact. energy: 4.407 local terms energy: -623.598954 where: bonds (distance) C4'-P energy: -143.027 bonds (distance) P-C4' energy: -136.872 flat angles C4'-P-C4' energy: -159.302 flat angles P-C4'-P energy: -96.889 tors. eta vs tors. theta energy: -87.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1403.105337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.105337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.105337 (E_RNA) where: Base-Base interactions energy: -878.635 where: short stacking energy: -404.715 Base-Backbone interact. energy: -0.549 local terms energy: -523.921596 where: bonds (distance) C4'-P energy: -145.464 bonds (distance) P-C4' energy: -123.062 flat angles C4'-P-C4' energy: -122.396 flat angles P-C4'-P energy: -71.780 tors. eta vs tors. theta energy: -61.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1054.323866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.323866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.323866 (E_RNA) where: Base-Base interactions energy: -591.077 where: short stacking energy: -308.305 Base-Backbone interact. energy: 0.504 local terms energy: -463.751130 where: bonds (distance) C4'-P energy: -134.474 bonds (distance) P-C4' energy: -118.713 flat angles C4'-P-C4' energy: -117.445 flat angles P-C4'-P energy: -73.335 tors. eta vs tors. theta energy: -19.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -2994.980450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.980450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.980450 (E_RNA) where: Base-Base interactions energy: -2106.012 where: short stacking energy: -879.453 Base-Backbone interact. energy: -5.117 local terms energy: -883.852159 where: bonds (distance) C4'-P energy: -153.979 bonds (distance) P-C4' energy: -171.472 flat angles C4'-P-C4' energy: -194.276 flat angles P-C4'-P energy: -121.915 tors. eta vs tors. theta energy: -242.210 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: 293 Temperature: 0.950000 Total energy: -2927.218316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.218316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.218316 (E_RNA) where: Base-Base interactions energy: -2042.367 where: short stacking energy: -877.389 Base-Backbone interact. energy: 0.870 local terms energy: -885.721562 where: bonds (distance) C4'-P energy: -163.915 bonds (distance) P-C4' energy: -144.740 flat angles C4'-P-C4' energy: -187.927 flat angles P-C4'-P energy: -131.075 tors. eta vs tors. theta energy: -258.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -2828.367608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.367608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.367608 (E_RNA) where: Base-Base interactions energy: -1965.567 where: short stacking energy: -847.068 Base-Backbone interact. energy: -1.164 local terms energy: -861.637259 where: bonds (distance) C4'-P energy: -159.167 bonds (distance) P-C4' energy: -160.733 flat angles C4'-P-C4' energy: -192.416 flat angles P-C4'-P energy: -110.212 tors. eta vs tors. theta energy: -239.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2593.526845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.526845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.526845 (E_RNA) where: Base-Base interactions energy: -1771.226 where: short stacking energy: -793.285 Base-Backbone interact. energy: 1.310 local terms energy: -823.610958 where: bonds (distance) C4'-P energy: -145.420 bonds (distance) P-C4' energy: -158.744 flat angles C4'-P-C4' energy: -184.083 flat angles P-C4'-P energy: -115.644 tors. eta vs tors. theta energy: -219.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2504.693464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.693464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.693464 (E_RNA) where: Base-Base interactions energy: -1783.255 where: short stacking energy: -752.644 Base-Backbone interact. energy: 2.455 local terms energy: -723.894105 where: bonds (distance) C4'-P energy: -135.178 bonds (distance) P-C4' energy: -157.115 flat angles C4'-P-C4' energy: -155.161 flat angles P-C4'-P energy: -97.889 tors. eta vs tors. theta energy: -178.551 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: 2 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2047.797276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.797276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.797276 (E_RNA) where: Base-Base interactions energy: -1341.857 where: short stacking energy: -604.049 Base-Backbone interact. energy: -0.537 local terms energy: -705.403647 where: bonds (distance) C4'-P energy: -153.811 bonds (distance) P-C4' energy: -151.964 flat angles C4'-P-C4' energy: -139.811 flat angles P-C4'-P energy: -111.974 tors. eta vs tors. theta energy: -147.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1887.860225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.860225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.860225 (E_RNA) where: Base-Base interactions energy: -1252.356 where: short stacking energy: -563.162 Base-Backbone interact. energy: -0.709 local terms energy: -634.795570 where: bonds (distance) C4'-P energy: -130.876 bonds (distance) P-C4' energy: -160.635 flat angles C4'-P-C4' energy: -133.863 flat angles P-C4'-P energy: -82.423 tors. eta vs tors. theta energy: -126.999 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: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1678.861715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.861715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.861715 (E_RNA) where: Base-Base interactions energy: -1094.645 where: short stacking energy: -510.831 Base-Backbone interact. energy: -0.921 local terms energy: -583.295826 where: bonds (distance) C4'-P energy: -115.390 bonds (distance) P-C4' energy: -136.755 flat angles C4'-P-C4' energy: -154.693 flat angles P-C4'-P energy: -77.492 tors. eta vs tors. theta energy: -98.966 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: 293 Temperature: 1.300000 Total energy: -1367.366411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.366411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.366411 (E_RNA) where: Base-Base interactions energy: -880.675 where: short stacking energy: -446.974 Base-Backbone interact. energy: 2.660 local terms energy: -489.351657 where: bonds (distance) C4'-P energy: -130.675 bonds (distance) P-C4' energy: -132.408 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -62.273 tors. eta vs tors. theta energy: -65.340 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: 6 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1042.409214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.409214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.409214 (E_RNA) where: Base-Base interactions energy: -557.629 where: short stacking energy: -294.366 Base-Backbone interact. energy: 3.596 local terms energy: -488.376136 where: bonds (distance) C4'-P energy: -145.971 bonds (distance) P-C4' energy: -152.798 flat angles C4'-P-C4' energy: -104.431 flat angles P-C4'-P energy: -65.805 tors. eta vs tors. theta energy: -19.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3024.521960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.521960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.521960 (E_RNA) where: Base-Base interactions energy: -2120.401 where: short stacking energy: -869.951 Base-Backbone interact. energy: -5.153 local terms energy: -898.968071 where: bonds (distance) C4'-P energy: -162.369 bonds (distance) P-C4' energy: -173.769 flat angles C4'-P-C4' energy: -196.587 flat angles P-C4'-P energy: -122.692 tors. eta vs tors. theta energy: -243.551 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: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -2920.373886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.373886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.373886 (E_RNA) where: Base-Base interactions energy: -2028.225 where: short stacking energy: -879.523 Base-Backbone interact. energy: -0.592 local terms energy: -891.557106 where: bonds (distance) C4'-P energy: -149.795 bonds (distance) P-C4' energy: -155.695 flat angles C4'-P-C4' energy: -196.785 flat angles P-C4'-P energy: -121.306 tors. eta vs tors. theta energy: -267.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -2808.701660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.701660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.701660 (E_RNA) where: Base-Base interactions energy: -1946.841 where: short stacking energy: -842.487 Base-Backbone interact. energy: -6.245 local terms energy: -855.615854 where: bonds (distance) C4'-P energy: -155.367 bonds (distance) P-C4' energy: -152.246 flat angles C4'-P-C4' energy: -188.621 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -249.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2567.080960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.080960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.080960 (E_RNA) where: Base-Base interactions energy: -1745.972 where: short stacking energy: -773.536 Base-Backbone interact. energy: -0.490 local terms energy: -820.618094 where: bonds (distance) C4'-P energy: -145.677 bonds (distance) P-C4' energy: -161.714 flat angles C4'-P-C4' energy: -170.915 flat angles P-C4'-P energy: -118.720 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: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2486.255037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.255037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.255037 (E_RNA) where: Base-Base interactions energy: -1750.115 where: short stacking energy: -699.282 Base-Backbone interact. energy: -1.288 local terms energy: -734.852152 where: bonds (distance) C4'-P energy: -158.165 bonds (distance) P-C4' energy: -137.438 flat angles C4'-P-C4' energy: -150.686 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -182.513 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: 294 Temperature: 1.150000 Total energy: -2060.647200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.647200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.647200 (E_RNA) where: Base-Base interactions energy: -1374.497 where: short stacking energy: -624.444 Base-Backbone interact. energy: -3.300 local terms energy: -682.849980 where: bonds (distance) C4'-P energy: -122.761 bonds (distance) P-C4' energy: -159.291 flat angles C4'-P-C4' energy: -166.930 flat angles P-C4'-P energy: -98.205 tors. eta vs tors. theta energy: -135.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1913.482356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.482356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.482356 (E_RNA) where: Base-Base interactions energy: -1251.298 where: short stacking energy: -544.646 Base-Backbone interact. energy: -4.317 local terms energy: -657.867091 where: bonds (distance) C4'-P energy: -146.621 bonds (distance) P-C4' energy: -153.694 flat angles C4'-P-C4' energy: -146.613 flat angles P-C4'-P energy: -87.191 tors. eta vs tors. theta energy: -123.747 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: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1648.027872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.027872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.027872 (E_RNA) where: Base-Base interactions energy: -1052.512 where: short stacking energy: -500.967 Base-Backbone interact. energy: -0.604 local terms energy: -594.911716 where: bonds (distance) C4'-P energy: -122.993 bonds (distance) P-C4' energy: -142.694 flat angles C4'-P-C4' energy: -145.952 flat angles P-C4'-P energy: -83.484 tors. eta vs tors. theta energy: -99.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1379.461717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.461717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.461717 (E_RNA) where: Base-Base interactions energy: -845.819 where: short stacking energy: -410.021 Base-Backbone interact. energy: 2.744 local terms energy: -536.386690 where: bonds (distance) C4'-P energy: -151.847 bonds (distance) P-C4' energy: -127.799 flat angles C4'-P-C4' energy: -115.818 flat angles P-C4'-P energy: -68.461 tors. eta vs tors. theta energy: -72.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1009.532692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.532692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.532692 (E_RNA) where: Base-Base interactions energy: -564.992 where: short stacking energy: -312.558 Base-Backbone interact. energy: -5.241 local terms energy: -439.299546 where: bonds (distance) C4'-P energy: -124.649 bonds (distance) P-C4' energy: -115.147 flat angles C4'-P-C4' energy: -110.869 flat angles P-C4'-P energy: -80.136 tors. eta vs tors. theta energy: -8.499 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: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -2995.628646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.628646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.628646 (E_RNA) where: Base-Base interactions energy: -2099.334 where: short stacking energy: -870.302 Base-Backbone interact. energy: -3.136 local terms energy: -893.158929 where: bonds (distance) C4'-P energy: -157.284 bonds (distance) P-C4' energy: -170.137 flat angles C4'-P-C4' energy: -193.699 flat angles P-C4'-P energy: -125.839 tors. eta vs tors. theta energy: -246.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -2988.499042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.499042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.499042 (E_RNA) where: Base-Base interactions energy: -2100.684 where: short stacking energy: -906.630 Base-Backbone interact. energy: -1.321 local terms energy: -886.494388 where: bonds (distance) C4'-P energy: -154.596 bonds (distance) P-C4' energy: -170.207 flat angles C4'-P-C4' energy: -177.141 flat angles P-C4'-P energy: -122.821 tors. eta vs tors. theta energy: -261.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -2793.318800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.318800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.318800 (E_RNA) where: Base-Base interactions energy: -1935.285 where: short stacking energy: -844.803 Base-Backbone interact. energy: -5.561 local terms energy: -852.472219 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -147.240 flat angles C4'-P-C4' energy: -192.252 flat angles P-C4'-P energy: -111.945 tors. eta vs tors. theta energy: -244.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2609.684728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.684728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.684728 (E_RNA) where: Base-Base interactions energy: -1801.308 where: short stacking energy: -801.754 Base-Backbone interact. energy: 0.767 local terms energy: -809.143946 where: bonds (distance) C4'-P energy: -170.229 bonds (distance) P-C4' energy: -137.281 flat angles C4'-P-C4' energy: -182.860 flat angles P-C4'-P energy: -101.477 tors. eta vs tors. theta energy: -217.297 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: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2517.375855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.375855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.375855 (E_RNA) where: Base-Base interactions energy: -1759.717 where: short stacking energy: -740.217 Base-Backbone interact. energy: -3.307 local terms energy: -754.351984 where: bonds (distance) C4'-P energy: -125.797 bonds (distance) P-C4' energy: -146.157 flat angles C4'-P-C4' energy: -170.324 flat angles P-C4'-P energy: -114.690 tors. eta vs tors. theta energy: -197.384 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: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2134.526239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.526239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.526239 (E_RNA) where: Base-Base interactions energy: -1444.397 where: short stacking energy: -669.006 Base-Backbone interact. energy: -0.975 local terms energy: -689.154113 where: bonds (distance) C4'-P energy: -124.892 bonds (distance) P-C4' energy: -121.832 flat angles C4'-P-C4' energy: -148.050 flat angles P-C4'-P energy: -114.913 tors. eta vs tors. theta energy: -179.467 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: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1876.256162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.256162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.256162 (E_RNA) where: Base-Base interactions energy: -1241.988 where: short stacking energy: -536.513 Base-Backbone interact. energy: -2.427 local terms energy: -631.840982 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -149.250 flat angles C4'-P-C4' energy: -135.337 flat angles P-C4'-P energy: -89.893 tors. eta vs tors. theta energy: -119.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1671.969459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.969459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.969459 (E_RNA) where: Base-Base interactions energy: -1075.102 where: short stacking energy: -464.619 Base-Backbone interact. energy: 0.804 local terms energy: -597.672038 where: bonds (distance) C4'-P energy: -122.070 bonds (distance) P-C4' energy: -156.149 flat angles C4'-P-C4' energy: -150.552 flat angles P-C4'-P energy: -85.004 tors. eta vs tors. theta energy: -83.897 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: 8 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1396.070600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.070600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.070600 (E_RNA) where: Base-Base interactions energy: -869.340 where: short stacking energy: -432.214 Base-Backbone interact. energy: 16.169 local terms energy: -542.900073 where: bonds (distance) C4'-P energy: -128.555 bonds (distance) P-C4' energy: -112.749 flat angles C4'-P-C4' energy: -167.027 flat angles P-C4'-P energy: -80.039 tors. eta vs tors. theta energy: -54.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1013.876000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.876000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.876000 (E_RNA) where: Base-Base interactions energy: -606.022 where: short stacking energy: -300.331 Base-Backbone interact. energy: -1.885 local terms energy: -405.969045 where: bonds (distance) C4'-P energy: -124.585 bonds (distance) P-C4' energy: -99.709 flat angles C4'-P-C4' energy: -116.206 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: -10.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3035.671215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.671215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.671215 (E_RNA) where: Base-Base interactions energy: -2099.709 where: short stacking energy: -877.188 Base-Backbone interact. energy: -3.114 local terms energy: -932.848211 where: bonds (distance) C4'-P energy: -178.226 bonds (distance) P-C4' energy: -159.426 flat angles C4'-P-C4' energy: -202.240 flat angles P-C4'-P energy: -139.345 tors. eta vs tors. theta energy: -253.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -2959.920804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.920804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.920804 (E_RNA) where: Base-Base interactions energy: -2080.722 where: short stacking energy: -922.209 Base-Backbone interact. energy: -2.898 local terms energy: -876.299841 where: bonds (distance) C4'-P energy: -153.409 bonds (distance) P-C4' energy: -160.065 flat angles C4'-P-C4' energy: -186.800 flat angles P-C4'-P energy: -118.519 tors. eta vs tors. theta energy: -257.506 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: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -2805.495972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.495972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.495972 (E_RNA) where: Base-Base interactions energy: -1934.184 where: short stacking energy: -835.161 Base-Backbone interact. energy: -4.169 local terms energy: -867.142542 where: bonds (distance) C4'-P energy: -153.284 bonds (distance) P-C4' energy: -156.340 flat angles C4'-P-C4' energy: -186.183 flat angles P-C4'-P energy: -127.739 tors. eta vs tors. theta energy: -243.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2648.208908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.208908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.208908 (E_RNA) where: Base-Base interactions energy: -1828.764 where: short stacking energy: -829.342 Base-Backbone interact. energy: -2.774 local terms energy: -816.671439 where: bonds (distance) C4'-P energy: -155.043 bonds (distance) P-C4' energy: -150.060 flat angles C4'-P-C4' energy: -166.826 flat angles P-C4'-P energy: -108.406 tors. eta vs tors. theta energy: -236.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -2435.926941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.926941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.926941 (E_RNA) where: Base-Base interactions energy: -1720.393 where: short stacking energy: -718.931 Base-Backbone interact. energy: 3.641 local terms energy: -719.175149 where: bonds (distance) C4'-P energy: -145.926 bonds (distance) P-C4' energy: -131.268 flat angles C4'-P-C4' energy: -171.239 flat angles P-C4'-P energy: -99.714 tors. eta vs tors. theta energy: -171.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2090.971206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.971206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.971206 (E_RNA) where: Base-Base interactions energy: -1430.259 where: short stacking energy: -617.794 Base-Backbone interact. energy: -3.206 local terms energy: -657.506274 where: bonds (distance) C4'-P energy: -132.404 bonds (distance) P-C4' energy: -130.032 flat angles C4'-P-C4' energy: -154.915 flat angles P-C4'-P energy: -89.276 tors. eta vs tors. theta energy: -150.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1902.774308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.774308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.774308 (E_RNA) where: Base-Base interactions energy: -1274.634 where: short stacking energy: -560.546 Base-Backbone interact. energy: 0.030 local terms energy: -628.170530 where: bonds (distance) C4'-P energy: -131.461 bonds (distance) P-C4' energy: -147.245 flat angles C4'-P-C4' energy: -145.968 flat angles P-C4'-P energy: -77.612 tors. eta vs tors. theta energy: -125.884 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: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1658.930550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.930550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.930550 (E_RNA) where: Base-Base interactions energy: -1055.999 where: short stacking energy: -473.853 Base-Backbone interact. energy: 3.354 local terms energy: -606.285424 where: bonds (distance) C4'-P energy: -135.773 bonds (distance) P-C4' energy: -136.191 flat angles C4'-P-C4' energy: -147.546 flat angles P-C4'-P energy: -93.733 tors. eta vs tors. theta energy: -93.042 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: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1388.953721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.953721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.953721 (E_RNA) where: Base-Base interactions energy: -879.467 where: short stacking energy: -413.656 Base-Backbone interact. energy: -0.934 local terms energy: -508.552658 where: bonds (distance) C4'-P energy: -130.545 bonds (distance) P-C4' energy: -124.012 flat angles C4'-P-C4' energy: -116.649 flat angles P-C4'-P energy: -81.590 tors. eta vs tors. theta energy: -55.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1068.892524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.892524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.892524 (E_RNA) where: Base-Base interactions energy: -628.080 where: short stacking energy: -319.340 Base-Backbone interact. energy: 7.846 local terms energy: -448.658812 where: bonds (distance) C4'-P energy: -119.966 bonds (distance) P-C4' energy: -115.642 flat angles C4'-P-C4' energy: -131.396 flat angles P-C4'-P energy: -65.169 tors. eta vs tors. theta energy: -16.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -2996.528963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.528963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.528963 (E_RNA) where: Base-Base interactions energy: -2087.464 where: short stacking energy: -836.423 Base-Backbone interact. energy: -4.931 local terms energy: -904.134231 where: bonds (distance) C4'-P energy: -155.070 bonds (distance) P-C4' energy: -181.648 flat angles C4'-P-C4' energy: -191.851 flat angles P-C4'-P energy: -131.362 tors. eta vs tors. theta energy: -244.203 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: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -2950.786191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.786191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.786191 (E_RNA) where: Base-Base interactions energy: -2053.604 where: short stacking energy: -898.814 Base-Backbone interact. energy: -2.592 local terms energy: -894.590114 where: bonds (distance) C4'-P energy: -161.856 bonds (distance) P-C4' energy: -162.382 flat angles C4'-P-C4' energy: -190.355 flat angles P-C4'-P energy: -125.172 tors. eta vs tors. theta energy: -254.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2787.756551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.756551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.756551 (E_RNA) where: Base-Base interactions energy: -1960.863 where: short stacking energy: -859.831 Base-Backbone interact. energy: -3.678 local terms energy: -823.216095 where: bonds (distance) C4'-P energy: -135.834 bonds (distance) P-C4' energy: -149.356 flat angles C4'-P-C4' energy: -188.730 flat angles P-C4'-P energy: -106.214 tors. eta vs tors. theta energy: -243.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2594.125496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.125496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.125496 (E_RNA) where: Base-Base interactions energy: -1758.122 where: short stacking energy: -793.490 Base-Backbone interact. energy: -4.335 local terms energy: -831.669159 where: bonds (distance) C4'-P energy: -141.959 bonds (distance) P-C4' energy: -165.054 flat angles C4'-P-C4' energy: -171.333 flat angles P-C4'-P energy: -118.503 tors. eta vs tors. theta energy: -234.821 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: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2506.979055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.979055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.979055 (E_RNA) where: Base-Base interactions energy: -1709.961 where: short stacking energy: -736.858 Base-Backbone interact. energy: -4.831 local terms energy: -792.187241 where: bonds (distance) C4'-P energy: -157.000 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -171.444 flat angles P-C4'-P energy: -108.216 tors. eta vs tors. theta energy: -205.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2197.146122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.146122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.146122 (E_RNA) where: Base-Base interactions energy: -1508.849 where: short stacking energy: -633.642 Base-Backbone interact. energy: -3.751 local terms energy: -684.546593 where: bonds (distance) C4'-P energy: -126.320 bonds (distance) P-C4' energy: -152.773 flat angles C4'-P-C4' energy: -148.601 flat angles P-C4'-P energy: -103.459 tors. eta vs tors. theta energy: -153.394 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: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -1878.282756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.282756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.282756 (E_RNA) where: Base-Base interactions energy: -1222.239 where: short stacking energy: -570.242 Base-Backbone interact. energy: -0.757 local terms energy: -655.287191 where: bonds (distance) C4'-P energy: -154.151 bonds (distance) P-C4' energy: -131.729 flat angles C4'-P-C4' energy: -136.862 flat angles P-C4'-P energy: -86.286 tors. eta vs tors. theta energy: -146.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1702.681303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.681303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.681303 (E_RNA) where: Base-Base interactions energy: -1080.750 where: short stacking energy: -465.843 Base-Backbone interact. energy: -1.980 local terms energy: -619.950930 where: bonds (distance) C4'-P energy: -148.776 bonds (distance) P-C4' energy: -143.893 flat angles C4'-P-C4' energy: -141.959 flat angles P-C4'-P energy: -89.798 tors. eta vs tors. theta energy: -95.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1366.384279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.384279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.384279 (E_RNA) where: Base-Base interactions energy: -826.748 where: short stacking energy: -382.993 Base-Backbone interact. energy: -3.678 local terms energy: -535.958304 where: bonds (distance) C4'-P energy: -127.503 bonds (distance) P-C4' energy: -154.697 flat angles C4'-P-C4' energy: -127.015 flat angles P-C4'-P energy: -65.024 tors. eta vs tors. theta energy: -61.720 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: 10, replica: 6 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1031.559226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.559226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.559226 (E_RNA) where: Base-Base interactions energy: -568.588 where: short stacking energy: -277.338 Base-Backbone interact. energy: 1.604 local terms energy: -464.574731 where: bonds (distance) C4'-P energy: -125.376 bonds (distance) P-C4' energy: -136.180 flat angles C4'-P-C4' energy: -117.847 flat angles P-C4'-P energy: -72.022 tors. eta vs tors. theta energy: -13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3020.162092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.162092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.162092 (E_RNA) where: Base-Base interactions energy: -2115.878 where: short stacking energy: -865.474 Base-Backbone interact. energy: -0.223 local terms energy: -904.060846 where: bonds (distance) C4'-P energy: -163.633 bonds (distance) P-C4' energy: -170.767 flat angles C4'-P-C4' energy: -181.809 flat angles P-C4'-P energy: -139.587 tors. eta vs tors. theta energy: -248.265 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: 298 Temperature: 0.950000 Total energy: -2935.841950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.841950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.841950 (E_RNA) where: Base-Base interactions energy: -2040.821 where: short stacking energy: -886.819 Base-Backbone interact. energy: -2.603 local terms energy: -892.418321 where: bonds (distance) C4'-P energy: -171.542 bonds (distance) P-C4' energy: -161.065 flat angles C4'-P-C4' energy: -189.235 flat angles P-C4'-P energy: -121.050 tors. eta vs tors. theta energy: -249.527 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: 3, replica: 5 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2766.219672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.219672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.219672 (E_RNA) where: Base-Base interactions energy: -1938.250 where: short stacking energy: -824.378 Base-Backbone interact. energy: 2.795 local terms energy: -830.764479 where: bonds (distance) C4'-P energy: -158.219 bonds (distance) P-C4' energy: -151.086 flat angles C4'-P-C4' energy: -180.168 flat angles P-C4'-P energy: -109.966 tors. eta vs tors. theta energy: -231.325 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: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2624.312635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.312635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.312635 (E_RNA) where: Base-Base interactions energy: -1788.893 where: short stacking energy: -787.533 Base-Backbone interact. energy: -2.934 local terms energy: -832.485860 where: bonds (distance) C4'-P energy: -165.478 bonds (distance) P-C4' energy: -164.956 flat angles C4'-P-C4' energy: -175.901 flat angles P-C4'-P energy: -89.997 tors. eta vs tors. theta energy: -236.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2527.543771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.543771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.543771 (E_RNA) where: Base-Base interactions energy: -1764.907 where: short stacking energy: -756.269 Base-Backbone interact. energy: 1.565 local terms energy: -764.202182 where: bonds (distance) C4'-P energy: -140.802 bonds (distance) P-C4' energy: -145.575 flat angles C4'-P-C4' energy: -166.436 flat angles P-C4'-P energy: -117.227 tors. eta vs tors. theta energy: -194.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2202.584393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.584393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.584393 (E_RNA) where: Base-Base interactions energy: -1491.925 where: short stacking energy: -673.871 Base-Backbone interact. energy: 2.984 local terms energy: -713.642477 where: bonds (distance) C4'-P energy: -125.195 bonds (distance) P-C4' energy: -150.039 flat angles C4'-P-C4' energy: -155.856 flat angles P-C4'-P energy: -116.465 tors. eta vs tors. theta energy: -166.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1879.747360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.747360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.747360 (E_RNA) where: Base-Base interactions energy: -1248.310 where: short stacking energy: -537.692 Base-Backbone interact. energy: -2.641 local terms energy: -628.796981 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -139.354 flat angles C4'-P-C4' energy: -132.626 flat angles P-C4'-P energy: -91.298 tors. eta vs tors. theta energy: -116.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1661.297921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.297921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.297921 (E_RNA) where: Base-Base interactions energy: -1066.978 where: short stacking energy: -484.010 Base-Backbone interact. energy: 1.424 local terms energy: -595.744255 where: bonds (distance) C4'-P energy: -128.755 bonds (distance) P-C4' energy: -136.609 flat angles C4'-P-C4' energy: -141.648 flat angles P-C4'-P energy: -82.546 tors. eta vs tors. theta energy: -106.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1397.315498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.315498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.315498 (E_RNA) where: Base-Base interactions energy: -891.914 where: short stacking energy: -400.567 Base-Backbone interact. energy: 0.908 local terms energy: -506.309532 where: bonds (distance) C4'-P energy: -128.851 bonds (distance) P-C4' energy: -137.099 flat angles C4'-P-C4' energy: -117.526 flat angles P-C4'-P energy: -79.559 tors. eta vs tors. theta energy: -43.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1154.461157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.461157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.461157 (E_RNA) where: Base-Base interactions energy: -637.823 where: short stacking energy: -329.737 Base-Backbone interact. energy: 2.522 local terms energy: -519.159472 where: bonds (distance) C4'-P energy: -136.024 bonds (distance) P-C4' energy: -123.756 flat angles C4'-P-C4' energy: -135.352 flat angles P-C4'-P energy: -80.271 tors. eta vs tors. theta energy: -43.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3024.765913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.765913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.765913 (E_RNA) where: Base-Base interactions energy: -2114.846 where: short stacking energy: -884.633 Base-Backbone interact. energy: -0.602 local terms energy: -909.317888 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -167.564 flat angles C4'-P-C4' energy: -199.182 flat angles P-C4'-P energy: -134.847 tors. eta vs tors. theta energy: -246.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -2958.255131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.255131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.255131 (E_RNA) where: Base-Base interactions energy: -2069.764 where: short stacking energy: -903.875 Base-Backbone interact. energy: -3.820 local terms energy: -884.671114 where: bonds (distance) C4'-P energy: -173.349 bonds (distance) P-C4' energy: -149.351 flat angles C4'-P-C4' energy: -181.876 flat angles P-C4'-P energy: -121.264 tors. eta vs tors. theta energy: -258.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -2784.938633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.938633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.938633 (E_RNA) where: Base-Base interactions energy: -1928.592 where: short stacking energy: -829.998 Base-Backbone interact. energy: -3.167 local terms energy: -853.179677 where: bonds (distance) C4'-P energy: -160.114 bonds (distance) P-C4' energy: -155.909 flat angles C4'-P-C4' energy: -179.205 flat angles P-C4'-P energy: -137.590 tors. eta vs tors. theta energy: -220.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2589.436666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.436666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.436666 (E_RNA) where: Base-Base interactions energy: -1813.696 where: short stacking energy: -749.370 Base-Backbone interact. energy: -4.030 local terms energy: -771.710933 where: bonds (distance) C4'-P energy: -157.533 bonds (distance) P-C4' energy: -139.622 flat angles C4'-P-C4' energy: -180.988 flat angles P-C4'-P energy: -92.783 tors. eta vs tors. theta energy: -200.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2560.545459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.545459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.545459 (E_RNA) where: Base-Base interactions energy: -1764.469 where: short stacking energy: -789.994 Base-Backbone interact. energy: 0.274 local terms energy: -796.351177 where: bonds (distance) C4'-P energy: -134.954 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -184.190 flat angles P-C4'-P energy: -107.996 tors. eta vs tors. theta energy: -232.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2122.085127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.085127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.085127 (E_RNA) where: Base-Base interactions energy: -1449.112 where: short stacking energy: -616.618 Base-Backbone interact. energy: 2.035 local terms energy: -675.008374 where: bonds (distance) C4'-P energy: -125.981 bonds (distance) P-C4' energy: -146.405 flat angles C4'-P-C4' energy: -161.743 flat angles P-C4'-P energy: -83.374 tors. eta vs tors. theta energy: -157.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1891.233869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.233869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.233869 (E_RNA) where: Base-Base interactions energy: -1248.518 where: short stacking energy: -560.756 Base-Backbone interact. energy: 0.474 local terms energy: -643.189752 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -140.046 flat angles C4'-P-C4' energy: -144.073 flat angles P-C4'-P energy: -89.148 tors. eta vs tors. theta energy: -138.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1655.562740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.562740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.562740 (E_RNA) where: Base-Base interactions energy: -1041.489 where: short stacking energy: -502.091 Base-Backbone interact. energy: -0.043 local terms energy: -614.030704 where: bonds (distance) C4'-P energy: -125.699 bonds (distance) P-C4' energy: -157.867 flat angles C4'-P-C4' energy: -152.265 flat angles P-C4'-P energy: -89.326 tors. eta vs tors. theta energy: -88.874 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: 8 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1430.003184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.003184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.003184 (E_RNA) where: Base-Base interactions energy: -911.640 where: short stacking energy: -437.413 Base-Backbone interact. energy: -3.730 local terms energy: -514.633087 where: bonds (distance) C4'-P energy: -115.728 bonds (distance) P-C4' energy: -126.818 flat angles C4'-P-C4' energy: -120.734 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -73.892 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: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1141.456630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.456630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.456630 (E_RNA) where: Base-Base interactions energy: -653.727 where: short stacking energy: -318.125 Base-Backbone interact. energy: -1.369 local terms energy: -486.360924 where: bonds (distance) C4'-P energy: -131.473 bonds (distance) P-C4' energy: -114.008 flat angles C4'-P-C4' energy: -138.214 flat angles P-C4'-P energy: -74.319 tors. eta vs tors. theta energy: -28.347 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: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -2993.252704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.252704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.252704 (E_RNA) where: Base-Base interactions energy: -2079.043 where: short stacking energy: -857.098 Base-Backbone interact. energy: -2.111 local terms energy: -912.099320 where: bonds (distance) C4'-P energy: -158.554 bonds (distance) P-C4' energy: -179.887 flat angles C4'-P-C4' energy: -185.014 flat angles P-C4'-P energy: -143.149 tors. eta vs tors. theta energy: -245.495 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: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -2981.593143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.593143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.593143 (E_RNA) where: Base-Base interactions energy: -2087.760 where: short stacking energy: -919.255 Base-Backbone interact. energy: -3.984 local terms energy: -889.849007 where: bonds (distance) C4'-P energy: -162.532 bonds (distance) P-C4' energy: -166.982 flat angles C4'-P-C4' energy: -194.590 flat angles P-C4'-P energy: -106.911 tors. eta vs tors. theta energy: -258.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -2806.071433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.071433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.071433 (E_RNA) where: Base-Base interactions energy: -1988.944 where: short stacking energy: -837.268 Base-Backbone interact. energy: -2.527 local terms energy: -814.600726 where: bonds (distance) C4'-P energy: -147.141 bonds (distance) P-C4' energy: -159.107 flat angles C4'-P-C4' energy: -179.586 flat angles P-C4'-P energy: -102.417 tors. eta vs tors. theta energy: -226.349 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: 4, replica: 7 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2651.613647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.613647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.613647 (E_RNA) where: Base-Base interactions energy: -1837.750 where: short stacking energy: -781.238 Base-Backbone interact. energy: 3.074 local terms energy: -816.938214 where: bonds (distance) C4'-P energy: -158.436 bonds (distance) P-C4' energy: -163.754 flat angles C4'-P-C4' energy: -170.864 flat angles P-C4'-P energy: -111.397 tors. eta vs tors. theta energy: -212.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2492.991977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.991977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.991977 (E_RNA) where: Base-Base interactions energy: -1686.835 where: short stacking energy: -755.409 Base-Backbone interact. energy: -0.561 local terms energy: -805.596591 where: bonds (distance) C4'-P energy: -140.896 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -189.382 flat angles P-C4'-P energy: -122.681 tors. eta vs tors. theta energy: -219.609 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: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2175.697364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.697364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.697364 (E_RNA) where: Base-Base interactions energy: -1482.146 where: short stacking energy: -636.028 Base-Backbone interact. energy: -3.515 local terms energy: -690.036190 where: bonds (distance) C4'-P energy: -136.420 bonds (distance) P-C4' energy: -142.189 flat angles C4'-P-C4' energy: -147.665 flat angles P-C4'-P energy: -106.496 tors. eta vs tors. theta energy: -157.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1921.065829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.065829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.065829 (E_RNA) where: Base-Base interactions energy: -1293.898 where: short stacking energy: -558.447 Base-Backbone interact. energy: -2.483 local terms energy: -624.685299 where: bonds (distance) C4'-P energy: -134.509 bonds (distance) P-C4' energy: -149.479 flat angles C4'-P-C4' energy: -145.128 flat angles P-C4'-P energy: -83.188 tors. eta vs tors. theta energy: -112.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1597.848610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.848610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.848610 (E_RNA) where: Base-Base interactions energy: -1055.412 where: short stacking energy: -458.813 Base-Backbone interact. energy: -1.883 local terms energy: -540.552903 where: bonds (distance) C4'-P energy: -121.572 bonds (distance) P-C4' energy: -113.528 flat angles C4'-P-C4' energy: -147.083 flat angles P-C4'-P energy: -88.808 tors. eta vs tors. theta energy: -69.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1463.998499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.998499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.998499 (E_RNA) where: Base-Base interactions energy: -898.337 where: short stacking energy: -412.549 Base-Backbone interact. energy: -1.300 local terms energy: -564.361085 where: bonds (distance) C4'-P energy: -130.154 bonds (distance) P-C4' energy: -157.011 flat angles C4'-P-C4' energy: -130.339 flat angles P-C4'-P energy: -97.038 tors. eta vs tors. theta energy: -49.820 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: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1134.475357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.475357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.475357 (E_RNA) where: Base-Base interactions energy: -640.758 where: short stacking energy: -327.990 Base-Backbone interact. energy: -1.701 local terms energy: -492.016333 where: bonds (distance) C4'-P energy: -125.507 bonds (distance) P-C4' energy: -131.619 flat angles C4'-P-C4' energy: -125.817 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -27.128 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: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3019.560465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.560465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.560465 (E_RNA) where: Base-Base interactions energy: -2113.539 where: short stacking energy: -871.706 Base-Backbone interact. energy: -2.575 local terms energy: -903.446326 where: bonds (distance) C4'-P energy: -165.651 bonds (distance) P-C4' energy: -171.967 flat angles C4'-P-C4' energy: -193.486 flat angles P-C4'-P energy: -128.312 tors. eta vs tors. theta energy: -244.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -2970.108081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.108081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.108081 (E_RNA) where: Base-Base interactions energy: -2071.111 where: short stacking energy: -910.941 Base-Backbone interact. energy: -4.277 local terms energy: -894.720069 where: bonds (distance) C4'-P energy: -152.614 bonds (distance) P-C4' energy: -165.529 flat angles C4'-P-C4' energy: -190.088 flat angles P-C4'-P energy: -124.395 tors. eta vs tors. theta energy: -262.094 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: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -2807.648825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.648825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.648825 (E_RNA) where: Base-Base interactions energy: -1967.972 where: short stacking energy: -850.679 Base-Backbone interact. energy: -0.323 local terms energy: -839.353519 where: bonds (distance) C4'-P energy: -142.596 bonds (distance) P-C4' energy: -142.791 flat angles C4'-P-C4' energy: -190.214 flat angles P-C4'-P energy: -131.217 tors. eta vs tors. theta energy: -232.535 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2565.411379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.411379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.411379 (E_RNA) where: Base-Base interactions energy: -1791.151 where: short stacking energy: -758.228 Base-Backbone interact. energy: -1.233 local terms energy: -773.027123 where: bonds (distance) C4'-P energy: -150.404 bonds (distance) P-C4' energy: -140.736 flat angles C4'-P-C4' energy: -179.639 flat angles P-C4'-P energy: -108.087 tors. eta vs tors. theta energy: -194.161 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: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2459.879152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.879152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.879152 (E_RNA) where: Base-Base interactions energy: -1686.204 where: short stacking energy: -767.286 Base-Backbone interact. energy: 0.005 local terms energy: -773.680068 where: bonds (distance) C4'-P energy: -132.944 bonds (distance) P-C4' energy: -151.871 flat angles C4'-P-C4' energy: -161.849 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -210.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2221.331736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.331736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.331736 (E_RNA) where: Base-Base interactions energy: -1524.130 where: short stacking energy: -662.169 Base-Backbone interact. energy: -0.858 local terms energy: -696.343111 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -158.117 flat angles C4'-P-C4' energy: -155.544 flat angles P-C4'-P energy: -86.221 tors. eta vs tors. theta energy: -162.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1919.500104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.500104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.500104 (E_RNA) where: Base-Base interactions energy: -1294.217 where: short stacking energy: -603.936 Base-Backbone interact. energy: -0.446 local terms energy: -624.837260 where: bonds (distance) C4'-P energy: -117.475 bonds (distance) P-C4' energy: -136.062 flat angles C4'-P-C4' energy: -135.264 flat angles P-C4'-P energy: -94.889 tors. eta vs tors. theta energy: -141.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1664.108046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.108046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.108046 (E_RNA) where: Base-Base interactions energy: -1069.488 where: short stacking energy: -500.663 Base-Backbone interact. energy: 0.618 local terms energy: -595.238014 where: bonds (distance) C4'-P energy: -136.858 bonds (distance) P-C4' energy: -133.875 flat angles C4'-P-C4' energy: -144.167 flat angles P-C4'-P energy: -91.271 tors. eta vs tors. theta energy: -89.067 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: 8 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1507.653049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.653049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.653049 (E_RNA) where: Base-Base interactions energy: -955.084 where: short stacking energy: -423.303 Base-Backbone interact. energy: 4.096 local terms energy: -556.664190 where: bonds (distance) C4'-P energy: -137.045 bonds (distance) P-C4' energy: -145.216 flat angles C4'-P-C4' energy: -141.285 flat angles P-C4'-P energy: -61.924 tors. eta vs tors. theta energy: -71.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1122.908323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.908323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.908323 (E_RNA) where: Base-Base interactions energy: -632.953 where: short stacking energy: -333.169 Base-Backbone interact. energy: 2.774 local terms energy: -492.728848 where: bonds (distance) C4'-P energy: -120.627 bonds (distance) P-C4' energy: -133.716 flat angles C4'-P-C4' energy: -113.778 flat angles P-C4'-P energy: -90.639 tors. eta vs tors. theta energy: -33.969 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: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3009.121615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.121615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.121615 (E_RNA) where: Base-Base interactions energy: -2095.013 where: short stacking energy: -854.192 Base-Backbone interact. energy: -3.409 local terms energy: -910.699285 where: bonds (distance) C4'-P energy: -165.064 bonds (distance) P-C4' energy: -171.214 flat angles C4'-P-C4' energy: -206.104 flat angles P-C4'-P energy: -130.247 tors. eta vs tors. theta energy: -238.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -2952.706333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.706333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.706333 (E_RNA) where: Base-Base interactions energy: -2086.313 where: short stacking energy: -925.030 Base-Backbone interact. energy: -1.363 local terms energy: -865.030721 where: bonds (distance) C4'-P energy: -157.768 bonds (distance) P-C4' energy: -151.535 flat angles C4'-P-C4' energy: -171.960 flat angles P-C4'-P energy: -125.181 tors. eta vs tors. theta energy: -258.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -2775.715492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.715492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.715492 (E_RNA) where: Base-Base interactions energy: -1933.973 where: short stacking energy: -802.373 Base-Backbone interact. energy: -1.357 local terms energy: -840.386332 where: bonds (distance) C4'-P energy: -152.840 bonds (distance) P-C4' energy: -170.489 flat angles C4'-P-C4' energy: -163.619 flat angles P-C4'-P energy: -121.604 tors. eta vs tors. theta energy: -231.833 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: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2634.333799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.333799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.333799 (E_RNA) where: Base-Base interactions energy: -1797.506 where: short stacking energy: -788.003 Base-Backbone interact. energy: -2.882 local terms energy: -833.944960 where: bonds (distance) C4'-P energy: -162.450 bonds (distance) P-C4' energy: -160.487 flat angles C4'-P-C4' energy: -172.186 flat angles P-C4'-P energy: -117.421 tors. eta vs tors. theta energy: -221.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2446.708048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.708048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.708048 (E_RNA) where: Base-Base interactions energy: -1680.531 where: short stacking energy: -761.063 Base-Backbone interact. energy: -2.094 local terms energy: -764.082200 where: bonds (distance) C4'-P energy: -149.095 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -160.233 flat angles P-C4'-P energy: -86.364 tors. eta vs tors. theta energy: -225.720 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: 6, replica: 2 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2230.621770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.621770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.621770 (E_RNA) where: Base-Base interactions energy: -1524.404 where: short stacking energy: -671.886 Base-Backbone interact. energy: 0.839 local terms energy: -707.056617 where: bonds (distance) C4'-P energy: -138.028 bonds (distance) P-C4' energy: -131.382 flat angles C4'-P-C4' energy: -154.933 flat angles P-C4'-P energy: -101.418 tors. eta vs tors. theta energy: -181.296 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: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1921.555818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.555818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.555818 (E_RNA) where: Base-Base interactions energy: -1265.401 where: short stacking energy: -542.453 Base-Backbone interact. energy: -3.342 local terms energy: -652.812823 where: bonds (distance) C4'-P energy: -113.808 bonds (distance) P-C4' energy: -158.832 flat angles C4'-P-C4' energy: -175.452 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -121.104 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: 4 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1629.975604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.975604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.975604 (E_RNA) where: Base-Base interactions energy: -1040.842 where: short stacking energy: -516.396 Base-Backbone interact. energy: -1.777 local terms energy: -587.356547 where: bonds (distance) C4'-P energy: -142.353 bonds (distance) P-C4' energy: -113.176 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -93.636 tors. eta vs tors. theta energy: -98.192 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: 8 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1489.042608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.042608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.042608 (E_RNA) where: Base-Base interactions energy: -959.877 where: short stacking energy: -435.871 Base-Backbone interact. energy: -2.107 local terms energy: -527.059538 where: bonds (distance) C4'-P energy: -124.022 bonds (distance) P-C4' energy: -140.772 flat angles C4'-P-C4' energy: -128.293 flat angles P-C4'-P energy: -53.487 tors. eta vs tors. theta energy: -80.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1127.630961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.630961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.630961 (E_RNA) where: Base-Base interactions energy: -650.134 where: short stacking energy: -346.121 Base-Backbone interact. energy: 1.997 local terms energy: -479.494684 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -117.210 flat angles C4'-P-C4' energy: -129.699 flat angles P-C4'-P energy: -74.629 tors. eta vs tors. theta energy: -23.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3027.680992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.680992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.680992 (E_RNA) where: Base-Base interactions energy: -2137.397 where: short stacking energy: -873.554 Base-Backbone interact. energy: -0.175 local terms energy: -890.108654 where: bonds (distance) C4'-P energy: -159.783 bonds (distance) P-C4' energy: -178.802 flat angles C4'-P-C4' energy: -169.711 flat angles P-C4'-P energy: -141.160 tors. eta vs tors. theta energy: -240.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -2970.339929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.339929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.339929 (E_RNA) where: Base-Base interactions energy: -2070.685 where: short stacking energy: -899.383 Base-Backbone interact. energy: -0.040 local terms energy: -899.615678 where: bonds (distance) C4'-P energy: -155.826 bonds (distance) P-C4' energy: -164.964 flat angles C4'-P-C4' energy: -199.865 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -266.254 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: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -2742.309326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.309326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.309326 (E_RNA) where: Base-Base interactions energy: -1899.819 where: short stacking energy: -807.781 Base-Backbone interact. energy: -4.400 local terms energy: -838.089697 where: bonds (distance) C4'-P energy: -159.908 bonds (distance) P-C4' energy: -156.661 flat angles C4'-P-C4' energy: -187.078 flat angles P-C4'-P energy: -113.217 tors. eta vs tors. theta energy: -221.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2570.290084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.290084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.290084 (E_RNA) where: Base-Base interactions energy: -1799.109 where: short stacking energy: -777.705 Base-Backbone interact. energy: -4.173 local terms energy: -767.007523 where: bonds (distance) C4'-P energy: -130.552 bonds (distance) P-C4' energy: -143.842 flat angles C4'-P-C4' energy: -170.201 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -215.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2494.385745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.385745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.385745 (E_RNA) where: Base-Base interactions energy: -1690.544 where: short stacking energy: -774.633 Base-Backbone interact. energy: -3.642 local terms energy: -800.199344 where: bonds (distance) C4'-P energy: -136.673 bonds (distance) P-C4' energy: -151.269 flat angles C4'-P-C4' energy: -174.113 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -231.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2233.520224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.520224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.520224 (E_RNA) where: Base-Base interactions energy: -1524.864 where: short stacking energy: -669.469 Base-Backbone interact. energy: 0.623 local terms energy: -709.279279 where: bonds (distance) C4'-P energy: -138.585 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -165.674 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -161.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1875.074761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.074761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.074761 (E_RNA) where: Base-Base interactions energy: -1223.255 where: short stacking energy: -539.069 Base-Backbone interact. energy: -3.460 local terms energy: -648.360385 where: bonds (distance) C4'-P energy: -145.222 bonds (distance) P-C4' energy: -146.400 flat angles C4'-P-C4' energy: -158.696 flat angles P-C4'-P energy: -89.269 tors. eta vs tors. theta energy: -108.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1576.510739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.510739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.510739 (E_RNA) where: Base-Base interactions energy: -1019.898 where: short stacking energy: -481.245 Base-Backbone interact. energy: -0.640 local terms energy: -555.973038 where: bonds (distance) C4'-P energy: -140.544 bonds (distance) P-C4' energy: -136.640 flat angles C4'-P-C4' energy: -123.831 flat angles P-C4'-P energy: -73.731 tors. eta vs tors. theta energy: -81.227 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: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1513.150486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.150486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.150486 (E_RNA) where: Base-Base interactions energy: -952.545 where: short stacking energy: -436.315 Base-Backbone interact. energy: 3.488 local terms energy: -564.092870 where: bonds (distance) C4'-P energy: -134.234 bonds (distance) P-C4' energy: -152.560 flat angles C4'-P-C4' energy: -134.989 flat angles P-C4'-P energy: -80.618 tors. eta vs tors. theta energy: -61.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1161.318542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.318542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.318542 (E_RNA) where: Base-Base interactions energy: -697.377 where: short stacking energy: -327.639 Base-Backbone interact. energy: -2.236 local terms energy: -461.705264 where: bonds (distance) C4'-P energy: -125.396 bonds (distance) P-C4' energy: -119.426 flat angles C4'-P-C4' energy: -121.812 flat angles P-C4'-P energy: -65.188 tors. eta vs tors. theta energy: -29.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -2995.067034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.067034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.067034 (E_RNA) where: Base-Base interactions energy: -2083.414 where: short stacking energy: -915.294 Base-Backbone interact. energy: -0.749 local terms energy: -910.903860 where: bonds (distance) C4'-P energy: -157.040 bonds (distance) P-C4' energy: -166.345 flat angles C4'-P-C4' energy: -190.357 flat angles P-C4'-P energy: -130.290 tors. eta vs tors. theta energy: -266.871 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: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -2957.019284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.019284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.019284 (E_RNA) where: Base-Base interactions energy: -2078.049 where: short stacking energy: -859.889 Base-Backbone interact. energy: -2.221 local terms energy: -876.749401 where: bonds (distance) C4'-P energy: -147.386 bonds (distance) P-C4' energy: -170.634 flat angles C4'-P-C4' energy: -185.784 flat angles P-C4'-P energy: -128.176 tors. eta vs tors. theta energy: -244.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -2744.729988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.729988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.729988 (E_RNA) where: Base-Base interactions energy: -1886.402 where: short stacking energy: -823.818 Base-Backbone interact. energy: -4.129 local terms energy: -854.198507 where: bonds (distance) C4'-P energy: -163.188 bonds (distance) P-C4' energy: -157.037 flat angles C4'-P-C4' energy: -183.914 flat angles P-C4'-P energy: -124.645 tors. eta vs tors. theta energy: -225.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2591.830261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.830261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.830261 (E_RNA) where: Base-Base interactions energy: -1794.086 where: short stacking energy: -786.054 Base-Backbone interact. energy: 4.108 local terms energy: -801.851754 where: bonds (distance) C4'-P energy: -149.390 bonds (distance) P-C4' energy: -142.500 flat angles C4'-P-C4' energy: -175.499 flat angles P-C4'-P energy: -116.886 tors. eta vs tors. theta energy: -217.576 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: 5, replica: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2544.600495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.600495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.600495 (E_RNA) where: Base-Base interactions energy: -1734.784 where: short stacking energy: -790.381 Base-Backbone interact. energy: 4.624 local terms energy: -814.440670 where: bonds (distance) C4'-P energy: -154.704 bonds (distance) P-C4' energy: -160.014 flat angles C4'-P-C4' energy: -161.973 flat angles P-C4'-P energy: -108.415 tors. eta vs tors. theta energy: -229.336 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: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2211.972120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.972120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.972120 (E_RNA) where: Base-Base interactions energy: -1484.034 where: short stacking energy: -665.932 Base-Backbone interact. energy: 3.773 local terms energy: -731.711513 where: bonds (distance) C4'-P energy: -136.557 bonds (distance) P-C4' energy: -147.166 flat angles C4'-P-C4' energy: -163.826 flat angles P-C4'-P energy: -109.284 tors. eta vs tors. theta energy: -174.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1933.590810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.590810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.590810 (E_RNA) where: Base-Base interactions energy: -1269.074 where: short stacking energy: -565.182 Base-Backbone interact. energy: -0.616 local terms energy: -663.900996 where: bonds (distance) C4'-P energy: -133.834 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -154.206 flat angles P-C4'-P energy: -93.691 tors. eta vs tors. theta energy: -130.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1604.813413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.813413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.813413 (E_RNA) where: Base-Base interactions energy: -1015.636 where: short stacking energy: -456.540 Base-Backbone interact. energy: -0.177 local terms energy: -589.000912 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -131.460 flat angles C4'-P-C4' energy: -127.122 flat angles P-C4'-P energy: -96.098 tors. eta vs tors. theta energy: -89.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1496.622396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.622396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.622396 (E_RNA) where: Base-Base interactions energy: -973.969 where: short stacking energy: -431.015 Base-Backbone interact. energy: 4.272 local terms energy: -526.925579 where: bonds (distance) C4'-P energy: -118.611 bonds (distance) P-C4' energy: -141.752 flat angles C4'-P-C4' energy: -128.442 flat angles P-C4'-P energy: -70.428 tors. eta vs tors. theta energy: -67.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1152.272178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.272178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.272178 (E_RNA) where: Base-Base interactions energy: -654.916 where: short stacking energy: -344.494 Base-Backbone interact. energy: 6.604 local terms energy: -503.960271 where: bonds (distance) C4'-P energy: -146.102 bonds (distance) P-C4' energy: -135.136 flat angles C4'-P-C4' energy: -112.449 flat angles P-C4'-P energy: -67.550 tors. eta vs tors. theta energy: -42.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3020.192923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.192923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.192923 (E_RNA) where: Base-Base interactions energy: -2101.775 where: short stacking energy: -919.814 Base-Backbone interact. energy: -0.958 local terms energy: -917.459823 where: bonds (distance) C4'-P energy: -159.536 bonds (distance) P-C4' energy: -178.607 flat angles C4'-P-C4' energy: -200.926 flat angles P-C4'-P energy: -108.937 tors. eta vs tors. theta energy: -269.454 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: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -2937.320524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.320524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.320524 (E_RNA) where: Base-Base interactions energy: -2057.352 where: short stacking energy: -877.375 Base-Backbone interact. energy: -2.304 local terms energy: -877.665299 where: bonds (distance) C4'-P energy: -157.974 bonds (distance) P-C4' energy: -186.666 flat angles C4'-P-C4' energy: -178.040 flat angles P-C4'-P energy: -113.446 tors. eta vs tors. theta energy: -241.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -2743.089274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.089274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.089274 (E_RNA) where: Base-Base interactions energy: -1902.512 where: short stacking energy: -827.249 Base-Backbone interact. energy: 1.461 local terms energy: -842.038375 where: bonds (distance) C4'-P energy: -162.342 bonds (distance) P-C4' energy: -146.292 flat angles C4'-P-C4' energy: -178.616 flat angles P-C4'-P energy: -126.267 tors. eta vs tors. theta energy: -228.521 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: 7 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2602.970912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.970912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.970912 (E_RNA) where: Base-Base interactions energy: -1780.092 where: short stacking energy: -780.904 Base-Backbone interact. energy: -1.949 local terms energy: -820.929312 where: bonds (distance) C4'-P energy: -135.517 bonds (distance) P-C4' energy: -162.444 flat angles C4'-P-C4' energy: -175.265 flat angles P-C4'-P energy: -128.295 tors. eta vs tors. theta energy: -219.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2461.377952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.377952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.377952 (E_RNA) where: Base-Base interactions energy: -1697.523 where: short stacking energy: -758.417 Base-Backbone interact. energy: -0.465 local terms energy: -763.389618 where: bonds (distance) C4'-P energy: -154.603 bonds (distance) P-C4' energy: -137.650 flat angles C4'-P-C4' energy: -162.334 flat angles P-C4'-P energy: -100.864 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: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2161.973324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.973324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.973324 (E_RNA) where: Base-Base interactions energy: -1469.064 where: short stacking energy: -655.149 Base-Backbone interact. energy: 1.139 local terms energy: -694.047931 where: bonds (distance) C4'-P energy: -126.106 bonds (distance) P-C4' energy: -131.012 flat angles C4'-P-C4' energy: -162.030 flat angles P-C4'-P energy: -106.475 tors. eta vs tors. theta energy: -168.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1956.904368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.904368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.904368 (E_RNA) where: Base-Base interactions energy: -1289.858 where: short stacking energy: -585.379 Base-Backbone interact. energy: 0.877 local terms energy: -667.923479 where: bonds (distance) C4'-P energy: -142.402 bonds (distance) P-C4' energy: -147.194 flat angles C4'-P-C4' energy: -138.685 flat angles P-C4'-P energy: -93.243 tors. eta vs tors. theta energy: -146.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1605.586541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.586541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.586541 (E_RNA) where: Base-Base interactions energy: -1024.823 where: short stacking energy: -477.571 Base-Backbone interact. energy: -0.183 local terms energy: -580.581048 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -144.193 flat angles C4'-P-C4' energy: -144.641 flat angles P-C4'-P energy: -101.178 tors. eta vs tors. theta energy: -64.397 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: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1492.080894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.080894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.080894 (E_RNA) where: Base-Base interactions energy: -955.550 where: short stacking energy: -440.773 Base-Backbone interact. energy: 0.813 local terms energy: -537.343320 where: bonds (distance) C4'-P energy: -139.828 bonds (distance) P-C4' energy: -111.779 flat angles C4'-P-C4' energy: -131.417 flat angles P-C4'-P energy: -74.390 tors. eta vs tors. theta energy: -79.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1123.510739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.510739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.510739 (E_RNA) where: Base-Base interactions energy: -652.352 where: short stacking energy: -311.001 Base-Backbone interact. energy: 7.512 local terms energy: -478.671049 where: bonds (distance) C4'-P energy: -129.273 bonds (distance) P-C4' energy: -146.728 flat angles C4'-P-C4' energy: -100.563 flat angles P-C4'-P energy: -88.800 tors. eta vs tors. theta energy: -13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3014.438642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.438642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.438642 (E_RNA) where: Base-Base interactions energy: -2089.917 where: short stacking energy: -910.222 Base-Backbone interact. energy: -4.880 local terms energy: -919.641790 where: bonds (distance) C4'-P energy: -161.055 bonds (distance) P-C4' energy: -162.433 flat angles C4'-P-C4' energy: -191.852 flat angles P-C4'-P energy: -136.549 tors. eta vs tors. theta energy: -267.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -2939.610502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.610502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.610502 (E_RNA) where: Base-Base interactions energy: -2057.331 where: short stacking energy: -887.774 Base-Backbone interact. energy: -3.008 local terms energy: -879.271356 where: bonds (distance) C4'-P energy: -174.211 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -180.935 flat angles P-C4'-P energy: -121.282 tors. eta vs tors. theta energy: -245.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -2763.334731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.334731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.334731 (E_RNA) where: Base-Base interactions energy: -1941.194 where: short stacking energy: -829.579 Base-Backbone interact. energy: -6.005 local terms energy: -816.136078 where: bonds (distance) C4'-P energy: -139.080 bonds (distance) P-C4' energy: -153.832 flat angles C4'-P-C4' energy: -189.782 flat angles P-C4'-P energy: -114.714 tors. eta vs tors. theta energy: -218.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2621.782624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.782624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.782624 (E_RNA) where: Base-Base interactions energy: -1816.362 where: short stacking energy: -782.767 Base-Backbone interact. energy: -4.994 local terms energy: -800.425951 where: bonds (distance) C4'-P energy: -142.100 bonds (distance) P-C4' energy: -150.256 flat angles C4'-P-C4' energy: -181.269 flat angles P-C4'-P energy: -115.487 tors. eta vs tors. theta energy: -211.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2497.686550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.686550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.686550 (E_RNA) where: Base-Base interactions energy: -1680.204 where: short stacking energy: -777.342 Base-Backbone interact. energy: -4.202 local terms energy: -813.280744 where: bonds (distance) C4'-P energy: -150.131 bonds (distance) P-C4' energy: -158.567 flat angles C4'-P-C4' energy: -167.250 flat angles P-C4'-P energy: -112.635 tors. eta vs tors. theta energy: -224.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2132.108195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.108195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.108195 (E_RNA) where: Base-Base interactions energy: -1417.248 where: short stacking energy: -611.872 Base-Backbone interact. energy: -0.642 local terms energy: -714.218258 where: bonds (distance) C4'-P energy: -145.603 bonds (distance) P-C4' energy: -159.325 flat angles C4'-P-C4' energy: -168.710 flat angles P-C4'-P energy: -90.521 tors. eta vs tors. theta energy: -150.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1956.669716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.669716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.669716 (E_RNA) where: Base-Base interactions energy: -1283.537 where: short stacking energy: -562.487 Base-Backbone interact. energy: -5.819 local terms energy: -667.314661 where: bonds (distance) C4'-P energy: -133.587 bonds (distance) P-C4' energy: -156.302 flat angles C4'-P-C4' energy: -166.432 flat angles P-C4'-P energy: -81.441 tors. eta vs tors. theta energy: -129.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1592.397917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.397917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.397917 (E_RNA) where: Base-Base interactions energy: -1044.680 where: short stacking energy: -484.130 Base-Backbone interact. energy: -3.203 local terms energy: -544.515618 where: bonds (distance) C4'-P energy: -126.633 bonds (distance) P-C4' energy: -139.524 flat angles C4'-P-C4' energy: -122.676 flat angles P-C4'-P energy: -70.961 tors. eta vs tors. theta energy: -84.722 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: 4 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1504.961511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.961511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.961511 (E_RNA) where: Base-Base interactions energy: -952.755 where: short stacking energy: -417.698 Base-Backbone interact. energy: -2.638 local terms energy: -549.568636 where: bonds (distance) C4'-P energy: -127.293 bonds (distance) P-C4' energy: -124.874 flat angles C4'-P-C4' energy: -138.823 flat angles P-C4'-P energy: -89.833 tors. eta vs tors. theta energy: -68.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1065.275799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.275799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.275799 (E_RNA) where: Base-Base interactions energy: -555.059 where: short stacking energy: -304.453 Base-Backbone interact. energy: -0.540 local terms energy: -509.676196 where: bonds (distance) C4'-P energy: -128.356 bonds (distance) P-C4' energy: -154.474 flat angles C4'-P-C4' energy: -133.951 flat angles P-C4'-P energy: -62.717 tors. eta vs tors. theta energy: -30.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3026.335797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.335797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.335797 (E_RNA) where: Base-Base interactions energy: -2087.867 where: short stacking energy: -927.504 Base-Backbone interact. energy: -5.253 local terms energy: -933.215815 where: bonds (distance) C4'-P energy: -163.079 bonds (distance) P-C4' energy: -174.418 flat angles C4'-P-C4' energy: -200.276 flat angles P-C4'-P energy: -132.319 tors. eta vs tors. theta energy: -263.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -2975.769142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.769142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.769142 (E_RNA) where: Base-Base interactions energy: -2074.176 where: short stacking energy: -841.918 Base-Backbone interact. energy: -2.555 local terms energy: -899.037786 where: bonds (distance) C4'-P energy: -164.967 bonds (distance) P-C4' energy: -164.976 flat angles C4'-P-C4' energy: -198.172 flat angles P-C4'-P energy: -128.570 tors. eta vs tors. theta energy: -242.353 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: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -2773.732377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.732377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.732377 (E_RNA) where: Base-Base interactions energy: -1928.318 where: short stacking energy: -842.995 Base-Backbone interact. energy: -3.084 local terms energy: -842.330283 where: bonds (distance) C4'-P energy: -151.737 bonds (distance) P-C4' energy: -152.965 flat angles C4'-P-C4' energy: -190.005 flat angles P-C4'-P energy: -111.934 tors. eta vs tors. theta energy: -235.690 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: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2574.555296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.555296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.555296 (E_RNA) where: Base-Base interactions energy: -1755.508 where: short stacking energy: -749.470 Base-Backbone interact. energy: -4.606 local terms energy: -814.441993 where: bonds (distance) C4'-P energy: -147.773 bonds (distance) P-C4' energy: -160.398 flat angles C4'-P-C4' energy: -171.762 flat angles P-C4'-P energy: -111.222 tors. eta vs tors. theta energy: -223.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2494.033331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.033331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.033331 (E_RNA) where: Base-Base interactions energy: -1711.543 where: short stacking energy: -750.486 Base-Backbone interact. energy: -4.137 local terms energy: -778.354074 where: bonds (distance) C4'-P energy: -149.951 bonds (distance) P-C4' energy: -152.260 flat angles C4'-P-C4' energy: -153.810 flat angles P-C4'-P energy: -112.403 tors. eta vs tors. theta energy: -209.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2150.921386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.921386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.921386 (E_RNA) where: Base-Base interactions energy: -1494.786 where: short stacking energy: -651.234 Base-Backbone interact. energy: 2.625 local terms energy: -658.760225 where: bonds (distance) C4'-P energy: -123.938 bonds (distance) P-C4' energy: -142.196 flat angles C4'-P-C4' energy: -146.898 flat angles P-C4'-P energy: -81.469 tors. eta vs tors. theta energy: -164.260 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: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1957.428394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.428394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.428394 (E_RNA) where: Base-Base interactions energy: -1308.249 where: short stacking energy: -578.872 Base-Backbone interact. energy: 2.809 local terms energy: -651.988847 where: bonds (distance) C4'-P energy: -139.127 bonds (distance) P-C4' energy: -145.308 flat angles C4'-P-C4' energy: -144.396 flat angles P-C4'-P energy: -82.900 tors. eta vs tors. theta energy: -140.258 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: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1620.572921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.572921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.572921 (E_RNA) where: Base-Base interactions energy: -1062.668 where: short stacking energy: -506.673 Base-Backbone interact. energy: 2.806 local terms energy: -560.711482 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -103.019 flat angles C4'-P-C4' energy: -139.612 flat angles P-C4'-P energy: -90.586 tors. eta vs tors. theta energy: -86.467 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: 4 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1510.765802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.765802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.765802 (E_RNA) where: Base-Base interactions energy: -976.810 where: short stacking energy: -446.796 Base-Backbone interact. energy: 6.850 local terms energy: -540.805045 where: bonds (distance) C4'-P energy: -120.412 bonds (distance) P-C4' energy: -141.167 flat angles C4'-P-C4' energy: -128.055 flat angles P-C4'-P energy: -74.516 tors. eta vs tors. theta energy: -76.655 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: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1093.758478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.758478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.758478 (E_RNA) where: Base-Base interactions energy: -615.511 where: short stacking energy: -307.964 Base-Backbone interact. energy: -0.738 local terms energy: -477.509068 where: bonds (distance) C4'-P energy: -136.414 bonds (distance) P-C4' energy: -149.626 flat angles C4'-P-C4' energy: -109.307 flat angles P-C4'-P energy: -61.115 tors. eta vs tors. theta energy: -21.048 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: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3009.037226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.037226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.037226 (E_RNA) where: Base-Base interactions energy: -2101.685 where: short stacking energy: -923.942 Base-Backbone interact. energy: -2.239 local terms energy: -905.113431 where: bonds (distance) C4'-P energy: -162.142 bonds (distance) P-C4' energy: -158.261 flat angles C4'-P-C4' energy: -191.555 flat angles P-C4'-P energy: -127.520 tors. eta vs tors. theta energy: -265.635 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: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -2958.488707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.488707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.488707 (E_RNA) where: Base-Base interactions energy: -2048.600 where: short stacking energy: -865.855 Base-Backbone interact. energy: -4.607 local terms energy: -905.281979 where: bonds (distance) C4'-P energy: -161.239 bonds (distance) P-C4' energy: -180.078 flat angles C4'-P-C4' energy: -192.951 flat angles P-C4'-P energy: -120.558 tors. eta vs tors. theta energy: -250.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -2786.485012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.485012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.485012 (E_RNA) where: Base-Base interactions energy: -1935.255 where: short stacking energy: -840.424 Base-Backbone interact. energy: -5.784 local terms energy: -845.446149 where: bonds (distance) C4'-P energy: -150.067 bonds (distance) P-C4' energy: -151.508 flat angles C4'-P-C4' energy: -178.855 flat angles P-C4'-P energy: -125.857 tors. eta vs tors. theta energy: -239.159 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: 7 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2622.050673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.050673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.050673 (E_RNA) where: Base-Base interactions energy: -1791.898 where: short stacking energy: -782.791 Base-Backbone interact. energy: -2.029 local terms energy: -828.123524 where: bonds (distance) C4'-P energy: -146.672 bonds (distance) P-C4' energy: -155.849 flat angles C4'-P-C4' energy: -185.621 flat angles P-C4'-P energy: -130.061 tors. eta vs tors. theta energy: -209.920 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: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2465.814532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.814532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.814532 (E_RNA) where: Base-Base interactions energy: -1687.069 where: short stacking energy: -768.376 Base-Backbone interact. energy: -3.713 local terms energy: -775.032697 where: bonds (distance) C4'-P energy: -157.405 bonds (distance) P-C4' energy: -150.347 flat angles C4'-P-C4' energy: -165.528 flat angles P-C4'-P energy: -89.805 tors. eta vs tors. theta energy: -211.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2203.809846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.809846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.809846 (E_RNA) where: Base-Base interactions energy: -1538.981 where: short stacking energy: -641.320 Base-Backbone interact. energy: -1.729 local terms energy: -663.100326 where: bonds (distance) C4'-P energy: -139.348 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -159.396 flat angles P-C4'-P energy: -82.884 tors. eta vs tors. theta energy: -135.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1913.241013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.241013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.241013 (E_RNA) where: Base-Base interactions energy: -1314.576 where: short stacking energy: -581.814 Base-Backbone interact. energy: -0.437 local terms energy: -598.227883 where: bonds (distance) C4'-P energy: -135.743 bonds (distance) P-C4' energy: -130.966 flat angles C4'-P-C4' energy: -146.365 flat angles P-C4'-P energy: -61.138 tors. eta vs tors. theta energy: -124.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1658.371901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.371901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.371901 (E_RNA) where: Base-Base interactions energy: -1062.098 where: short stacking energy: -476.951 Base-Backbone interact. energy: -3.139 local terms energy: -593.135013 where: bonds (distance) C4'-P energy: -128.416 bonds (distance) P-C4' energy: -161.020 flat angles C4'-P-C4' energy: -136.086 flat angles P-C4'-P energy: -79.201 tors. eta vs tors. theta energy: -88.412 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: 4 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1614.428053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.428053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.428053 (E_RNA) where: Base-Base interactions energy: -1050.024 where: short stacking energy: -430.454 Base-Backbone interact. energy: -1.318 local terms energy: -563.085510 where: bonds (distance) C4'-P energy: -122.018 bonds (distance) P-C4' energy: -142.825 flat angles C4'-P-C4' energy: -130.481 flat angles P-C4'-P energy: -94.984 tors. eta vs tors. theta energy: -72.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1208.438966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.438966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.438966 (E_RNA) where: Base-Base interactions energy: -710.341 where: short stacking energy: -338.468 Base-Backbone interact. energy: -0.715 local terms energy: -497.382546 where: bonds (distance) C4'-P energy: -133.618 bonds (distance) P-C4' energy: -123.795 flat angles C4'-P-C4' energy: -138.544 flat angles P-C4'-P energy: -71.944 tors. eta vs tors. theta energy: -29.482 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: 309 Temperature: 0.900000 Total energy: -3017.380337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.380337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.380337 (E_RNA) where: Base-Base interactions energy: -2073.130 where: short stacking energy: -929.544 Base-Backbone interact. energy: -3.200 local terms energy: -941.049803 where: bonds (distance) C4'-P energy: -177.812 bonds (distance) P-C4' energy: -170.346 flat angles C4'-P-C4' energy: -194.824 flat angles P-C4'-P energy: -130.356 tors. eta vs tors. theta energy: -267.712 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: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -2966.453115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.453115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.453115 (E_RNA) where: Base-Base interactions energy: -2092.271 where: short stacking energy: -862.167 Base-Backbone interact. energy: 1.451 local terms energy: -875.632917 where: bonds (distance) C4'-P energy: -161.735 bonds (distance) P-C4' energy: -164.010 flat angles C4'-P-C4' energy: -174.848 flat angles P-C4'-P energy: -135.745 tors. eta vs tors. theta energy: -239.295 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: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -2800.104159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.104159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.104159 (E_RNA) where: Base-Base interactions energy: -1954.742 where: short stacking energy: -872.471 Base-Backbone interact. energy: -2.795 local terms energy: -842.567060 where: bonds (distance) C4'-P energy: -145.645 bonds (distance) P-C4' energy: -150.909 flat angles C4'-P-C4' energy: -181.337 flat angles P-C4'-P energy: -113.205 tors. eta vs tors. theta energy: -251.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2582.162622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.162622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.162622 (E_RNA) where: Base-Base interactions energy: -1790.278 where: short stacking energy: -748.828 Base-Backbone interact. energy: -5.289 local terms energy: -786.596010 where: bonds (distance) C4'-P energy: -158.887 bonds (distance) P-C4' energy: -141.603 flat angles C4'-P-C4' energy: -179.895 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -200.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2437.697045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.697045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.697045 (E_RNA) where: Base-Base interactions energy: -1659.185 where: short stacking energy: -765.745 Base-Backbone interact. energy: -3.437 local terms energy: -775.074455 where: bonds (distance) C4'-P energy: -140.286 bonds (distance) P-C4' energy: -132.163 flat angles C4'-P-C4' energy: -180.541 flat angles P-C4'-P energy: -116.047 tors. eta vs tors. theta energy: -206.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2246.527815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.527815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.527815 (E_RNA) where: Base-Base interactions energy: -1514.756 where: short stacking energy: -690.707 Base-Backbone interact. energy: -0.985 local terms energy: -730.786781 where: bonds (distance) C4'-P energy: -150.330 bonds (distance) P-C4' energy: -143.154 flat angles C4'-P-C4' energy: -152.853 flat angles P-C4'-P energy: -103.659 tors. eta vs tors. theta energy: -180.790 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: 9 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1913.911977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.911977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.911977 (E_RNA) where: Base-Base interactions energy: -1269.805 where: short stacking energy: -570.342 Base-Backbone interact. energy: 0.657 local terms energy: -644.764230 where: bonds (distance) C4'-P energy: -133.966 bonds (distance) P-C4' energy: -143.598 flat angles C4'-P-C4' energy: -160.485 flat angles P-C4'-P energy: -88.515 tors. eta vs tors. theta energy: -118.200 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: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1719.535773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.535773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.535773 (E_RNA) where: Base-Base interactions energy: -1099.284 where: short stacking energy: -510.040 Base-Backbone interact. energy: 0.700 local terms energy: -620.951644 where: bonds (distance) C4'-P energy: -134.475 bonds (distance) P-C4' energy: -139.567 flat angles C4'-P-C4' energy: -142.401 flat angles P-C4'-P energy: -89.948 tors. eta vs tors. theta energy: -114.559 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: 309 Temperature: 1.300000 Total energy: -1549.213139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.213139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.213139 (E_RNA) where: Base-Base interactions energy: -974.642 where: short stacking energy: -429.713 Base-Backbone interact. energy: -2.370 local terms energy: -572.200905 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -131.721 flat angles C4'-P-C4' energy: -157.380 flat angles P-C4'-P energy: -81.421 tors. eta vs tors. theta energy: -72.707 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: 6 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1242.772087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.772087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.772087 (E_RNA) where: Base-Base interactions energy: -779.764 where: short stacking energy: -384.144 Base-Backbone interact. energy: 2.081 local terms energy: -465.089348 where: bonds (distance) C4'-P energy: -134.285 bonds (distance) P-C4' energy: -120.637 flat angles C4'-P-C4' energy: -115.946 flat angles P-C4'-P energy: -57.775 tors. eta vs tors. theta energy: -36.446 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: 310 Temperature: 0.900000 Total energy: -3018.264720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.264720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.264720 (E_RNA) where: Base-Base interactions energy: -2094.605 where: short stacking energy: -932.363 Base-Backbone interact. energy: -5.723 local terms energy: -917.936652 where: bonds (distance) C4'-P energy: -169.706 bonds (distance) P-C4' energy: -166.899 flat angles C4'-P-C4' energy: -204.760 flat angles P-C4'-P energy: -114.535 tors. eta vs tors. theta energy: -262.036 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: 10 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -2974.153443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.153443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.153443 (E_RNA) where: Base-Base interactions energy: -2089.044 where: short stacking energy: -877.467 Base-Backbone interact. energy: -3.130 local terms energy: -881.978874 where: bonds (distance) C4'-P energy: -148.533 bonds (distance) P-C4' energy: -156.492 flat angles C4'-P-C4' energy: -194.256 flat angles P-C4'-P energy: -128.070 tors. eta vs tors. theta energy: -254.627 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: 5 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -2768.955602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.955602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.955602 (E_RNA) where: Base-Base interactions energy: -1921.539 where: short stacking energy: -826.684 Base-Backbone interact. energy: -3.996 local terms energy: -843.420445 where: bonds (distance) C4'-P energy: -143.658 bonds (distance) P-C4' energy: -167.399 flat angles C4'-P-C4' energy: -181.339 flat angles P-C4'-P energy: -113.012 tors. eta vs tors. theta energy: -238.013 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2606.481971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.481971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.481971 (E_RNA) where: Base-Base interactions energy: -1794.636 where: short stacking energy: -769.831 Base-Backbone interact. energy: -0.651 local terms energy: -811.195596 where: bonds (distance) C4'-P energy: -143.456 bonds (distance) P-C4' energy: -159.130 flat angles C4'-P-C4' energy: -173.308 flat angles P-C4'-P energy: -117.606 tors. eta vs tors. theta energy: -217.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2391.427179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.427179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.427179 (E_RNA) where: Base-Base interactions energy: -1630.563 where: short stacking energy: -745.195 Base-Backbone interact. energy: -5.600 local terms energy: -755.264351 where: bonds (distance) C4'-P energy: -118.905 bonds (distance) P-C4' energy: -157.042 flat angles C4'-P-C4' energy: -174.394 flat angles P-C4'-P energy: -102.068 tors. eta vs tors. theta energy: -202.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2221.830946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.830946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.830946 (E_RNA) where: Base-Base interactions energy: -1476.448 where: short stacking energy: -646.567 Base-Backbone interact. energy: -3.871 local terms energy: -741.512617 where: bonds (distance) C4'-P energy: -131.323 bonds (distance) P-C4' energy: -151.231 flat angles C4'-P-C4' energy: -171.805 flat angles P-C4'-P energy: -119.390 tors. eta vs tors. theta energy: -167.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1939.945249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.945249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.945249 (E_RNA) where: Base-Base interactions energy: -1301.048 where: short stacking energy: -574.303 Base-Backbone interact. energy: -4.576 local terms energy: -634.321429 where: bonds (distance) C4'-P energy: -129.895 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -166.129 flat angles P-C4'-P energy: -73.937 tors. eta vs tors. theta energy: -124.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1636.081927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.081927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.081927 (E_RNA) where: Base-Base interactions energy: -1020.082 where: short stacking energy: -473.928 Base-Backbone interact. energy: -1.107 local terms energy: -614.892717 where: bonds (distance) C4'-P energy: -120.495 bonds (distance) P-C4' energy: -158.782 flat angles C4'-P-C4' energy: -144.162 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -105.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1592.705480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.705480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.705480 (E_RNA) where: Base-Base interactions energy: -1020.231 where: short stacking energy: -435.832 Base-Backbone interact. energy: 1.172 local terms energy: -573.646821 where: bonds (distance) C4'-P energy: -117.720 bonds (distance) P-C4' energy: -146.005 flat angles C4'-P-C4' energy: -136.822 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -77.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1247.690716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.690716 (E_RNA) where: Base-Base interactions energy: -738.823 where: short stacking energy: -368.384 Base-Backbone interact. energy: 5.328 local terms energy: -514.195942 where: bonds (distance) C4'-P energy: -135.898 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -132.485 flat angles P-C4'-P energy: -62.449 tors. eta vs tors. theta energy: -52.436 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: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3005.853641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.853641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.853641 (E_RNA) where: Base-Base interactions energy: -2079.176 where: short stacking energy: -921.040 Base-Backbone interact. energy: -1.857 local terms energy: -924.820582 where: bonds (distance) C4'-P energy: -178.911 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -193.242 flat angles P-C4'-P energy: -129.900 tors. eta vs tors. theta energy: -257.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -2972.880997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.880997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.880997 (E_RNA) where: Base-Base interactions energy: -2106.632 where: short stacking energy: -884.015 Base-Backbone interact. energy: -6.971 local terms energy: -859.277879 where: bonds (distance) C4'-P energy: -157.631 bonds (distance) P-C4' energy: -155.881 flat angles C4'-P-C4' energy: -186.767 flat angles P-C4'-P energy: -122.305 tors. eta vs tors. theta energy: -236.693 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -2763.941963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.941963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.941963 (E_RNA) where: Base-Base interactions energy: -1907.599 where: short stacking energy: -821.875 Base-Backbone interact. energy: -4.220 local terms energy: -852.123226 where: bonds (distance) C4'-P energy: -152.042 bonds (distance) P-C4' energy: -172.485 flat angles C4'-P-C4' energy: -178.872 flat angles P-C4'-P energy: -114.073 tors. eta vs tors. theta energy: -234.652 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: 7 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2626.936548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.936548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.936548 (E_RNA) where: Base-Base interactions energy: -1832.316 where: short stacking energy: -772.244 Base-Backbone interact. energy: -0.511 local terms energy: -794.109464 where: bonds (distance) C4'-P energy: -145.896 bonds (distance) P-C4' energy: -166.027 flat angles C4'-P-C4' energy: -171.204 flat angles P-C4'-P energy: -106.997 tors. eta vs tors. theta energy: -203.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2415.671364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.671364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.671364 (E_RNA) where: Base-Base interactions energy: -1660.309 where: short stacking energy: -743.325 Base-Backbone interact. energy: 0.055 local terms energy: -755.417874 where: bonds (distance) C4'-P energy: -143.395 bonds (distance) P-C4' energy: -143.973 flat angles C4'-P-C4' energy: -162.036 flat angles P-C4'-P energy: -97.601 tors. eta vs tors. theta energy: -208.413 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: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2205.939560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.939560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.939560 (E_RNA) where: Base-Base interactions energy: -1488.539 where: short stacking energy: -648.099 Base-Backbone interact. energy: -3.167 local terms energy: -714.232975 where: bonds (distance) C4'-P energy: -139.876 bonds (distance) P-C4' energy: -150.889 flat angles C4'-P-C4' energy: -169.541 flat angles P-C4'-P energy: -94.957 tors. eta vs tors. theta energy: -158.970 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: 7, replica: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1915.224724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.224724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.224724 (E_RNA) where: Base-Base interactions energy: -1268.704 where: short stacking energy: -567.754 Base-Backbone interact. energy: -2.504 local terms energy: -644.016189 where: bonds (distance) C4'-P energy: -131.570 bonds (distance) P-C4' energy: -145.671 flat angles C4'-P-C4' energy: -151.021 flat angles P-C4'-P energy: -98.315 tors. eta vs tors. theta energy: -117.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1660.894482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.894482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.894482 (E_RNA) where: Base-Base interactions energy: -1056.839 where: short stacking energy: -497.373 Base-Backbone interact. energy: -0.477 local terms energy: -603.578606 where: bonds (distance) C4'-P energy: -130.774 bonds (distance) P-C4' energy: -134.050 flat angles C4'-P-C4' energy: -142.692 flat angles P-C4'-P energy: -72.657 tors. eta vs tors. theta energy: -123.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1567.482745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.482745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.482745 (E_RNA) where: Base-Base interactions energy: -993.299 where: short stacking energy: -432.390 Base-Backbone interact. energy: -2.242 local terms energy: -571.942497 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -134.284 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -80.931 tors. eta vs tors. theta energy: -89.201 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: 6 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1201.495115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.495115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.495115 (E_RNA) where: Base-Base interactions energy: -718.306 where: short stacking energy: -312.618 Base-Backbone interact. energy: -2.823 local terms energy: -480.366622 where: bonds (distance) C4'-P energy: -136.418 bonds (distance) P-C4' energy: -120.213 flat angles C4'-P-C4' energy: -116.763 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -51.354 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: 1 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -2984.205358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.205358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.205358 (E_RNA) where: Base-Base interactions energy: -2076.875 where: short stacking energy: -900.580 Base-Backbone interact. energy: -5.103 local terms energy: -902.226748 where: bonds (distance) C4'-P energy: -172.526 bonds (distance) P-C4' energy: -157.318 flat angles C4'-P-C4' energy: -184.140 flat angles P-C4'-P energy: -122.615 tors. eta vs tors. theta energy: -265.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -2935.394482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.394482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.394482 (E_RNA) where: Base-Base interactions energy: -2103.516 where: short stacking energy: -869.877 Base-Backbone interact. energy: -2.982 local terms energy: -828.896825 where: bonds (distance) C4'-P energy: -160.872 bonds (distance) P-C4' energy: -154.050 flat angles C4'-P-C4' energy: -169.464 flat angles P-C4'-P energy: -114.678 tors. eta vs tors. theta energy: -229.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -2761.671042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.671042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.671042 (E_RNA) where: Base-Base interactions energy: -1918.141 where: short stacking energy: -836.064 Base-Backbone interact. energy: -3.552 local terms energy: -839.977946 where: bonds (distance) C4'-P energy: -141.995 bonds (distance) P-C4' energy: -153.083 flat angles C4'-P-C4' energy: -190.587 flat angles P-C4'-P energy: -108.325 tors. eta vs tors. theta energy: -245.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2575.348937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.348937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.348937 (E_RNA) where: Base-Base interactions energy: -1768.161 where: short stacking energy: -742.499 Base-Backbone interact. energy: -3.399 local terms energy: -803.788830 where: bonds (distance) C4'-P energy: -144.242 bonds (distance) P-C4' energy: -158.614 flat angles C4'-P-C4' energy: -176.852 flat angles P-C4'-P energy: -121.756 tors. eta vs tors. theta energy: -202.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2396.288499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.288499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.288499 (E_RNA) where: Base-Base interactions energy: -1601.004 where: short stacking energy: -732.301 Base-Backbone interact. energy: -6.965 local terms energy: -788.319590 where: bonds (distance) C4'-P energy: -159.375 bonds (distance) P-C4' energy: -157.591 flat angles C4'-P-C4' energy: -164.757 flat angles P-C4'-P energy: -100.914 tors. eta vs tors. theta energy: -205.682 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: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2200.093413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.093413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.093413 (E_RNA) where: Base-Base interactions energy: -1501.611 where: short stacking energy: -615.992 Base-Backbone interact. energy: 0.157 local terms energy: -698.639483 where: bonds (distance) C4'-P energy: -139.273 bonds (distance) P-C4' energy: -131.398 flat angles C4'-P-C4' energy: -161.715 flat angles P-C4'-P energy: -109.689 tors. eta vs tors. theta energy: -156.564 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: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1956.914096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.914096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.914096 (E_RNA) where: Base-Base interactions energy: -1293.618 where: short stacking energy: -579.780 Base-Backbone interact. energy: 5.491 local terms energy: -668.786760 where: bonds (distance) C4'-P energy: -148.972 bonds (distance) P-C4' energy: -137.652 flat angles C4'-P-C4' energy: -149.498 flat angles P-C4'-P energy: -95.720 tors. eta vs tors. theta energy: -136.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1688.237797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.237797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.237797 (E_RNA) where: Base-Base interactions energy: -1056.264 where: short stacking energy: -483.474 Base-Backbone interact. energy: -2.363 local terms energy: -629.611313 where: bonds (distance) C4'-P energy: -134.658 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -136.779 flat angles P-C4'-P energy: -114.873 tors. eta vs tors. theta energy: -102.069 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: 4 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1660.461124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.461124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.461124 (E_RNA) where: Base-Base interactions energy: -1062.585 where: short stacking energy: -483.644 Base-Backbone interact. energy: -1.890 local terms energy: -595.985848 where: bonds (distance) C4'-P energy: -123.753 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -131.057 flat angles P-C4'-P energy: -79.897 tors. eta vs tors. theta energy: -94.354 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: 10, replica: 6 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1215.535430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.535430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.535430 (E_RNA) where: Base-Base interactions energy: -714.654 where: short stacking energy: -362.013 Base-Backbone interact. energy: -0.308 local terms energy: -500.573364 where: bonds (distance) C4'-P energy: -132.839 bonds (distance) P-C4' energy: -142.669 flat angles C4'-P-C4' energy: -144.410 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -40.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3034.586174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.586174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.586174 (E_RNA) where: Base-Base interactions energy: -2100.887 where: short stacking energy: -949.401 Base-Backbone interact. energy: -4.434 local terms energy: -929.264923 where: bonds (distance) C4'-P energy: -170.065 bonds (distance) P-C4' energy: -172.997 flat angles C4'-P-C4' energy: -195.332 flat angles P-C4'-P energy: -125.011 tors. eta vs tors. theta energy: -265.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -2938.725616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.725616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.725616 (E_RNA) where: Base-Base interactions energy: -2051.487 where: short stacking energy: -860.932 Base-Backbone interact. energy: -5.075 local terms energy: -882.162986 where: bonds (distance) C4'-P energy: -167.336 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -183.867 flat angles P-C4'-P energy: -120.523 tors. eta vs tors. theta energy: -241.548 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: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2736.183990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.183990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.183990 (E_RNA) where: Base-Base interactions energy: -1907.014 where: short stacking energy: -810.780 Base-Backbone interact. energy: -2.372 local terms energy: -826.797345 where: bonds (distance) C4'-P energy: -161.438 bonds (distance) P-C4' energy: -141.376 flat angles C4'-P-C4' energy: -183.518 flat angles P-C4'-P energy: -120.147 tors. eta vs tors. theta energy: -220.317 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: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2549.849580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.849580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.849580 (E_RNA) where: Base-Base interactions energy: -1761.656 where: short stacking energy: -734.758 Base-Backbone interact. energy: 3.936 local terms energy: -792.129675 where: bonds (distance) C4'-P energy: -145.770 bonds (distance) P-C4' energy: -157.917 flat angles C4'-P-C4' energy: -161.479 flat angles P-C4'-P energy: -137.823 tors. eta vs tors. theta energy: -189.141 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: 3 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2429.469942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.469942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.469942 (E_RNA) where: Base-Base interactions energy: -1679.311 where: short stacking energy: -754.893 Base-Backbone interact. energy: -2.124 local terms energy: -748.034949 where: bonds (distance) C4'-P energy: -112.312 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -175.931 flat angles P-C4'-P energy: -99.664 tors. eta vs tors. theta energy: -203.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2200.880100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.880100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.880100 (E_RNA) where: Base-Base interactions energy: -1520.045 where: short stacking energy: -660.607 Base-Backbone interact. energy: -1.696 local terms energy: -679.138905 where: bonds (distance) C4'-P energy: -131.949 bonds (distance) P-C4' energy: -147.455 flat angles C4'-P-C4' energy: -149.551 flat angles P-C4'-P energy: -84.475 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: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1945.300585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.300585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.300585 (E_RNA) where: Base-Base interactions energy: -1308.765 where: short stacking energy: -579.035 Base-Backbone interact. energy: -3.500 local terms energy: -633.035514 where: bonds (distance) C4'-P energy: -133.545 bonds (distance) P-C4' energy: -133.466 flat angles C4'-P-C4' energy: -152.397 flat angles P-C4'-P energy: -88.910 tors. eta vs tors. theta energy: -124.719 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: 313 Temperature: 1.250000 Total energy: -1624.236873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.236873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.236873 (E_RNA) where: Base-Base interactions energy: -1017.529 where: short stacking energy: -528.244 Base-Backbone interact. energy: -1.449 local terms energy: -605.258891 where: bonds (distance) C4'-P energy: -139.543 bonds (distance) P-C4' energy: -144.164 flat angles C4'-P-C4' energy: -132.320 flat angles P-C4'-P energy: -89.256 tors. eta vs tors. theta energy: -99.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1567.772727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.772727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.772727 (E_RNA) where: Base-Base interactions energy: -1025.421 where: short stacking energy: -471.899 Base-Backbone interact. energy: -1.819 local terms energy: -540.533258 where: bonds (distance) C4'-P energy: -126.750 bonds (distance) P-C4' energy: -132.240 flat angles C4'-P-C4' energy: -110.112 flat angles P-C4'-P energy: -76.558 tors. eta vs tors. theta energy: -94.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1124.849139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.849139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.849139 (E_RNA) where: Base-Base interactions energy: -643.650 where: short stacking energy: -342.105 Base-Backbone interact. energy: 0.751 local terms energy: -481.950032 where: bonds (distance) C4'-P energy: -129.369 bonds (distance) P-C4' energy: -131.337 flat angles C4'-P-C4' energy: -121.691 flat angles P-C4'-P energy: -68.771 tors. eta vs tors. theta energy: -30.782 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: 314 Temperature: 0.900000 Total energy: -3025.571711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.571711 (E_RNA) where: Base-Base interactions energy: -2123.887 where: short stacking energy: -948.912 Base-Backbone interact. energy: -3.280 local terms energy: -898.404212 where: bonds (distance) C4'-P energy: -145.898 bonds (distance) P-C4' energy: -159.023 flat angles C4'-P-C4' energy: -201.519 flat angles P-C4'-P energy: -122.216 tors. eta vs tors. theta energy: -269.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -2945.893795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.893795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.893795 (E_RNA) where: Base-Base interactions energy: -2079.697 where: short stacking energy: -856.609 Base-Backbone interact. energy: 2.234 local terms energy: -868.430959 where: bonds (distance) C4'-P energy: -159.396 bonds (distance) P-C4' energy: -160.455 flat angles C4'-P-C4' energy: -181.217 flat angles P-C4'-P energy: -124.489 tors. eta vs tors. theta energy: -242.873 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2763.680568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.680568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.680568 (E_RNA) where: Base-Base interactions energy: -1956.162 where: short stacking energy: -829.931 Base-Backbone interact. energy: -2.008 local terms energy: -805.510163 where: bonds (distance) C4'-P energy: -139.629 bonds (distance) P-C4' energy: -137.739 flat angles C4'-P-C4' energy: -184.947 flat angles P-C4'-P energy: -106.208 tors. eta vs tors. theta energy: -236.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2521.237286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.237286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.237286 (E_RNA) where: Base-Base interactions energy: -1727.359 where: short stacking energy: -719.049 Base-Backbone interact. energy: -5.946 local terms energy: -787.932686 where: bonds (distance) C4'-P energy: -172.973 bonds (distance) P-C4' energy: -161.139 flat angles C4'-P-C4' energy: -165.262 flat angles P-C4'-P energy: -106.009 tors. eta vs tors. theta energy: -182.550 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: 3 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2429.764342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.764342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.764342 (E_RNA) where: Base-Base interactions energy: -1625.010 where: short stacking energy: -736.218 Base-Backbone interact. energy: 1.423 local terms energy: -806.177580 where: bonds (distance) C4'-P energy: -154.623 bonds (distance) P-C4' energy: -131.222 flat angles C4'-P-C4' energy: -173.121 flat angles P-C4'-P energy: -126.637 tors. eta vs tors. theta energy: -220.575 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: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2251.260965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.260965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.260965 (E_RNA) where: Base-Base interactions energy: -1497.953 where: short stacking energy: -666.558 Base-Backbone interact. energy: 1.936 local terms energy: -755.244274 where: bonds (distance) C4'-P energy: -137.225 bonds (distance) P-C4' energy: -166.238 flat angles C4'-P-C4' energy: -172.262 flat angles P-C4'-P energy: -108.435 tors. eta vs tors. theta energy: -171.083 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: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1940.569261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.569261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.569261 (E_RNA) where: Base-Base interactions energy: -1286.039 where: short stacking energy: -592.730 Base-Backbone interact. energy: -0.497 local terms energy: -654.032906 where: bonds (distance) C4'-P energy: -133.069 bonds (distance) P-C4' energy: -143.673 flat angles C4'-P-C4' energy: -152.513 flat angles P-C4'-P energy: -69.380 tors. eta vs tors. theta energy: -155.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1621.194773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.194773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.194773 (E_RNA) where: Base-Base interactions energy: -1029.647 where: short stacking energy: -475.520 Base-Backbone interact. energy: -1.342 local terms energy: -590.206267 where: bonds (distance) C4'-P energy: -140.442 bonds (distance) P-C4' energy: -120.210 flat angles C4'-P-C4' energy: -154.141 flat angles P-C4'-P energy: -87.172 tors. eta vs tors. theta energy: -88.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1596.278871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.278871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.278871 (E_RNA) where: Base-Base interactions energy: -1056.955 where: short stacking energy: -457.899 Base-Backbone interact. energy: -0.394 local terms energy: -538.929842 where: bonds (distance) C4'-P energy: -128.779 bonds (distance) P-C4' energy: -130.974 flat angles C4'-P-C4' energy: -140.106 flat angles P-C4'-P energy: -54.992 tors. eta vs tors. theta energy: -84.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1124.647176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.647176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.647176 (E_RNA) where: Base-Base interactions energy: -650.311 where: short stacking energy: -307.804 Base-Backbone interact. energy: -1.371 local terms energy: -472.964641 where: bonds (distance) C4'-P energy: -125.638 bonds (distance) P-C4' energy: -136.424 flat angles C4'-P-C4' energy: -131.184 flat angles P-C4'-P energy: -59.985 tors. eta vs tors. theta energy: -19.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3016.438982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.438982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.438982 (E_RNA) where: Base-Base interactions energy: -2093.799 where: short stacking energy: -924.001 Base-Backbone interact. energy: -4.313 local terms energy: -918.327285 where: bonds (distance) C4'-P energy: -158.956 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -197.866 flat angles P-C4'-P energy: -137.329 tors. eta vs tors. theta energy: -271.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -2953.236491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.236491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.236491 (E_RNA) where: Base-Base interactions energy: -2055.673 where: short stacking energy: -850.996 Base-Backbone interact. energy: -2.941 local terms energy: -894.622578 where: bonds (distance) C4'-P energy: -169.717 bonds (distance) P-C4' energy: -169.736 flat angles C4'-P-C4' energy: -182.980 flat angles P-C4'-P energy: -132.575 tors. eta vs tors. theta energy: -239.614 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: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2817.586774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.586774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.586774 (E_RNA) where: Base-Base interactions energy: -1951.584 where: short stacking energy: -844.723 Base-Backbone interact. energy: 0.468 local terms energy: -866.470077 where: bonds (distance) C4'-P energy: -154.358 bonds (distance) P-C4' energy: -160.090 flat angles C4'-P-C4' energy: -187.261 flat angles P-C4'-P energy: -131.097 tors. eta vs tors. theta energy: -233.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2554.122897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.122897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.122897 (E_RNA) where: Base-Base interactions energy: -1774.819 where: short stacking energy: -765.331 Base-Backbone interact. energy: -2.843 local terms energy: -776.460338 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -144.985 flat angles C4'-P-C4' energy: -177.225 flat angles P-C4'-P energy: -110.215 tors. eta vs tors. theta energy: -192.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2400.998523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.998523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.998523 (E_RNA) where: Base-Base interactions energy: -1630.477 where: short stacking energy: -743.591 Base-Backbone interact. energy: -1.455 local terms energy: -769.066321 where: bonds (distance) C4'-P energy: -149.947 bonds (distance) P-C4' energy: -126.831 flat angles C4'-P-C4' energy: -167.256 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -206.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2232.403962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.403962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.403962 (E_RNA) where: Base-Base interactions energy: -1505.556 where: short stacking energy: -654.631 Base-Backbone interact. energy: -2.852 local terms energy: -723.996007 where: bonds (distance) C4'-P energy: -135.067 bonds (distance) P-C4' energy: -140.969 flat angles C4'-P-C4' energy: -171.363 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -170.972 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: 9 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1957.338992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.338992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.338992 (E_RNA) where: Base-Base interactions energy: -1290.117 where: short stacking energy: -580.757 Base-Backbone interact. energy: -0.506 local terms energy: -666.716332 where: bonds (distance) C4'-P energy: -146.634 bonds (distance) P-C4' energy: -133.761 flat angles C4'-P-C4' energy: -146.380 flat angles P-C4'-P energy: -95.858 tors. eta vs tors. theta energy: -144.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1645.134333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.134333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.134333 (E_RNA) where: Base-Base interactions energy: -1072.649 where: short stacking energy: -478.378 Base-Backbone interact. energy: 1.481 local terms energy: -573.966093 where: bonds (distance) C4'-P energy: -125.640 bonds (distance) P-C4' energy: -138.002 flat angles C4'-P-C4' energy: -138.267 flat angles P-C4'-P energy: -83.527 tors. eta vs tors. theta energy: -88.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1524.628197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.628197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.628197 (E_RNA) where: Base-Base interactions energy: -961.554 where: short stacking energy: -439.747 Base-Backbone interact. energy: -3.704 local terms energy: -559.370747 where: bonds (distance) C4'-P energy: -130.901 bonds (distance) P-C4' energy: -136.116 flat angles C4'-P-C4' energy: -137.513 flat angles P-C4'-P energy: -78.356 tors. eta vs tors. theta energy: -76.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1088.380131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.380131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.380131 (E_RNA) where: Base-Base interactions energy: -636.992 where: short stacking energy: -316.679 Base-Backbone interact. energy: 3.367 local terms energy: -454.755209 where: bonds (distance) C4'-P energy: -142.059 bonds (distance) P-C4' energy: -123.583 flat angles C4'-P-C4' energy: -116.836 flat angles P-C4'-P energy: -63.866 tors. eta vs tors. theta energy: -8.412 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: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3020.688951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.688951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.688951 (E_RNA) where: Base-Base interactions energy: -2139.682 where: short stacking energy: -878.726 Base-Backbone interact. energy: -4.383 local terms energy: -876.624459 where: bonds (distance) C4'-P energy: -163.568 bonds (distance) P-C4' energy: -164.991 flat angles C4'-P-C4' energy: -179.936 flat angles P-C4'-P energy: -123.586 tors. eta vs tors. theta energy: -244.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -2930.924153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.924153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.924153 (E_RNA) where: Base-Base interactions energy: -2034.860 where: short stacking energy: -877.385 Base-Backbone interact. energy: -2.538 local terms energy: -893.526392 where: bonds (distance) C4'-P energy: -161.543 bonds (distance) P-C4' energy: -151.835 flat angles C4'-P-C4' energy: -198.447 flat angles P-C4'-P energy: -125.679 tors. eta vs tors. theta energy: -256.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2791.162641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.162641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.162641 (E_RNA) where: Base-Base interactions energy: -1949.176 where: short stacking energy: -842.094 Base-Backbone interact. energy: -4.268 local terms energy: -837.718672 where: bonds (distance) C4'-P energy: -158.448 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -177.605 flat angles P-C4'-P energy: -116.854 tors. eta vs tors. theta energy: -234.736 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: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2579.239159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.239159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.239159 (E_RNA) where: Base-Base interactions energy: -1801.606 where: short stacking energy: -744.801 Base-Backbone interact. energy: -2.736 local terms energy: -774.896804 where: bonds (distance) C4'-P energy: -151.008 bonds (distance) P-C4' energy: -150.086 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -199.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2463.845026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.845026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.845026 (E_RNA) where: Base-Base interactions energy: -1679.324 where: short stacking energy: -755.527 Base-Backbone interact. energy: -1.978 local terms energy: -782.543129 where: bonds (distance) C4'-P energy: -133.072 bonds (distance) P-C4' energy: -145.562 flat angles C4'-P-C4' energy: -166.592 flat angles P-C4'-P energy: -114.908 tors. eta vs tors. theta energy: -222.410 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: 316 Temperature: 1.150000 Total energy: -2196.899507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.899507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.899507 (E_RNA) where: Base-Base interactions energy: -1464.615 where: short stacking energy: -661.601 Base-Backbone interact. energy: -1.797 local terms energy: -730.487679 where: bonds (distance) C4'-P energy: -140.951 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -158.706 flat angles P-C4'-P energy: -116.967 tors. eta vs tors. theta energy: -160.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1914.285709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.285709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.285709 (E_RNA) where: Base-Base interactions energy: -1272.511 where: short stacking energy: -574.950 Base-Backbone interact. energy: 0.078 local terms energy: -641.852002 where: bonds (distance) C4'-P energy: -148.374 bonds (distance) P-C4' energy: -135.302 flat angles C4'-P-C4' energy: -151.372 flat angles P-C4'-P energy: -92.815 tors. eta vs tors. theta energy: -113.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1660.913676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.913676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.913676 (E_RNA) where: Base-Base interactions energy: -1091.007 where: short stacking energy: -468.936 Base-Backbone interact. energy: 2.067 local terms energy: -571.974471 where: bonds (distance) C4'-P energy: -118.581 bonds (distance) P-C4' energy: -125.132 flat angles C4'-P-C4' energy: -133.952 flat angles P-C4'-P energy: -100.937 tors. eta vs tors. theta energy: -93.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1593.223451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.223451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.223451 (E_RNA) where: Base-Base interactions energy: -1020.572 where: short stacking energy: -474.634 Base-Backbone interact. energy: 0.181 local terms energy: -572.832267 where: bonds (distance) C4'-P energy: -123.223 bonds (distance) P-C4' energy: -131.722 flat angles C4'-P-C4' energy: -140.110 flat angles P-C4'-P energy: -88.464 tors. eta vs tors. theta energy: -89.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1133.328465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.328465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.328465 (E_RNA) where: Base-Base interactions energy: -665.711 where: short stacking energy: -321.779 Base-Backbone interact. energy: 0.912 local terms energy: -468.530059 where: bonds (distance) C4'-P energy: -119.859 bonds (distance) P-C4' energy: -124.075 flat angles C4'-P-C4' energy: -109.756 flat angles P-C4'-P energy: -84.053 tors. eta vs tors. theta energy: -30.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3033.374444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.374444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.374444 (E_RNA) where: Base-Base interactions energy: -2154.311 where: short stacking energy: -892.106 Base-Backbone interact. energy: -1.709 local terms energy: -877.353948 where: bonds (distance) C4'-P energy: -141.948 bonds (distance) P-C4' energy: -154.920 flat angles C4'-P-C4' energy: -195.381 flat angles P-C4'-P energy: -132.618 tors. eta vs tors. theta energy: -252.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -2943.737464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.737464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.737464 (E_RNA) where: Base-Base interactions energy: -2034.702 where: short stacking energy: -878.153 Base-Backbone interact. energy: -3.779 local terms energy: -905.256143 where: bonds (distance) C4'-P energy: -169.091 bonds (distance) P-C4' energy: -172.577 flat angles C4'-P-C4' energy: -187.676 flat angles P-C4'-P energy: -121.882 tors. eta vs tors. theta energy: -254.029 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: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -2771.338424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.338424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.338424 (E_RNA) where: Base-Base interactions energy: -1937.004 where: short stacking energy: -827.450 Base-Backbone interact. energy: 2.392 local terms energy: -836.726296 where: bonds (distance) C4'-P energy: -155.259 bonds (distance) P-C4' energy: -161.972 flat angles C4'-P-C4' energy: -171.196 flat angles P-C4'-P energy: -105.691 tors. eta vs tors. theta energy: -242.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2638.508654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.508654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.508654 (E_RNA) where: Base-Base interactions energy: -1818.221 where: short stacking energy: -803.924 Base-Backbone interact. energy: -0.081 local terms energy: -820.206723 where: bonds (distance) C4'-P energy: -145.680 bonds (distance) P-C4' energy: -156.961 flat angles C4'-P-C4' energy: -183.165 flat angles P-C4'-P energy: -119.821 tors. eta vs tors. theta energy: -214.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2407.583918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.583918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.583918 (E_RNA) where: Base-Base interactions energy: -1627.390 where: short stacking energy: -729.317 Base-Backbone interact. energy: -2.849 local terms energy: -777.344355 where: bonds (distance) C4'-P energy: -132.137 bonds (distance) P-C4' energy: -145.362 flat angles C4'-P-C4' energy: -182.149 flat angles P-C4'-P energy: -112.031 tors. eta vs tors. theta energy: -205.665 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: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2158.332710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.332710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.332710 (E_RNA) where: Base-Base interactions energy: -1466.741 where: short stacking energy: -615.396 Base-Backbone interact. energy: -1.615 local terms energy: -689.977133 where: bonds (distance) C4'-P energy: -141.081 bonds (distance) P-C4' energy: -136.278 flat angles C4'-P-C4' energy: -157.369 flat angles P-C4'-P energy: -111.097 tors. eta vs tors. theta energy: -144.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1904.250553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.250553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.250553 (E_RNA) where: Base-Base interactions energy: -1270.363 where: short stacking energy: -554.875 Base-Backbone interact. energy: -3.273 local terms energy: -630.614556 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -154.550 flat angles C4'-P-C4' energy: -152.257 flat angles P-C4'-P energy: -77.793 tors. eta vs tors. theta energy: -127.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1738.204126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.204126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.204126 (E_RNA) where: Base-Base interactions energy: -1164.937 where: short stacking energy: -505.080 Base-Backbone interact. energy: 1.753 local terms energy: -575.019874 where: bonds (distance) C4'-P energy: -122.235 bonds (distance) P-C4' energy: -135.993 flat angles C4'-P-C4' energy: -141.438 flat angles P-C4'-P energy: -64.117 tors. eta vs tors. theta energy: -111.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1514.811171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.811171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.811171 (E_RNA) where: Base-Base interactions energy: -1007.589 where: short stacking energy: -431.192 Base-Backbone interact. energy: 2.553 local terms energy: -509.775234 where: bonds (distance) C4'-P energy: -125.280 bonds (distance) P-C4' energy: -142.332 flat angles C4'-P-C4' energy: -113.471 flat angles P-C4'-P energy: -69.177 tors. eta vs tors. theta energy: -59.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1122.287891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.287891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.287891 (E_RNA) where: Base-Base interactions energy: -654.488 where: short stacking energy: -300.056 Base-Backbone interact. energy: -1.093 local terms energy: -466.707098 where: bonds (distance) C4'-P energy: -113.336 bonds (distance) P-C4' energy: -130.020 flat angles C4'-P-C4' energy: -131.705 flat angles P-C4'-P energy: -72.138 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3033.102198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.102198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.102198 (E_RNA) where: Base-Base interactions energy: -2114.613 where: short stacking energy: -866.749 Base-Backbone interact. energy: -3.397 local terms energy: -915.092125 where: bonds (distance) C4'-P energy: -158.307 bonds (distance) P-C4' energy: -162.545 flat angles C4'-P-C4' energy: -194.591 flat angles P-C4'-P energy: -143.660 tors. eta vs tors. theta energy: -255.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -2962.699128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.699128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.699128 (E_RNA) where: Base-Base interactions energy: -2051.736 where: short stacking energy: -900.828 Base-Backbone interact. energy: -2.450 local terms energy: -908.513215 where: bonds (distance) C4'-P energy: -151.883 bonds (distance) P-C4' energy: -171.713 flat angles C4'-P-C4' energy: -196.768 flat angles P-C4'-P energy: -122.031 tors. eta vs tors. theta energy: -266.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -2775.151258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.151258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.151258 (E_RNA) where: Base-Base interactions energy: -1943.104 where: short stacking energy: -843.826 Base-Backbone interact. energy: -2.720 local terms energy: -829.327271 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -161.340 flat angles C4'-P-C4' energy: -184.970 flat angles P-C4'-P energy: -109.445 tors. eta vs tors. theta energy: -231.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2530.620616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.620616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.620616 (E_RNA) where: Base-Base interactions energy: -1800.646 where: short stacking energy: -748.014 Base-Backbone interact. energy: -3.003 local terms energy: -726.971655 where: bonds (distance) C4'-P energy: -127.905 bonds (distance) P-C4' energy: -138.644 flat angles C4'-P-C4' energy: -164.180 flat angles P-C4'-P energy: -104.912 tors. eta vs tors. theta energy: -191.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2457.422581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.422581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.422581 (E_RNA) where: Base-Base interactions energy: -1691.462 where: short stacking energy: -754.992 Base-Backbone interact. energy: -3.527 local terms energy: -762.432770 where: bonds (distance) C4'-P energy: -130.720 bonds (distance) P-C4' energy: -137.765 flat angles C4'-P-C4' energy: -160.622 flat angles P-C4'-P energy: -124.781 tors. eta vs tors. theta energy: -208.546 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: 318 Temperature: 1.150000 Total energy: -2189.695405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.695405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.695405 (E_RNA) where: Base-Base interactions energy: -1493.861 where: short stacking energy: -664.952 Base-Backbone interact. energy: -2.692 local terms energy: -693.142989 where: bonds (distance) C4'-P energy: -141.211 bonds (distance) P-C4' energy: -146.069 flat angles C4'-P-C4' energy: -164.534 flat angles P-C4'-P energy: -97.764 tors. eta vs tors. theta energy: -143.565 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: 7, replica: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1967.053319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.053319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.053319 (E_RNA) where: Base-Base interactions energy: -1304.328 where: short stacking energy: -589.985 Base-Backbone interact. energy: 3.675 local terms energy: -666.399507 where: bonds (distance) C4'-P energy: -135.069 bonds (distance) P-C4' energy: -134.089 flat angles C4'-P-C4' energy: -144.088 flat angles P-C4'-P energy: -100.765 tors. eta vs tors. theta energy: -152.387 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: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1749.218734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.218734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.218734 (E_RNA) where: Base-Base interactions energy: -1135.930 where: short stacking energy: -509.544 Base-Backbone interact. energy: -1.026 local terms energy: -612.262298 where: bonds (distance) C4'-P energy: -142.697 bonds (distance) P-C4' energy: -140.457 flat angles C4'-P-C4' energy: -146.452 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -106.666 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: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1530.818914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.818914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.818914 (E_RNA) where: Base-Base interactions energy: -995.907 where: short stacking energy: -458.544 Base-Backbone interact. energy: 2.891 local terms energy: -537.802882 where: bonds (distance) C4'-P energy: -125.838 bonds (distance) P-C4' energy: -131.009 flat angles C4'-P-C4' energy: -145.103 flat angles P-C4'-P energy: -65.081 tors. eta vs tors. theta energy: -70.772 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: 6 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1141.689641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.689641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.689641 (E_RNA) where: Base-Base interactions energy: -626.259 where: short stacking energy: -326.267 Base-Backbone interact. energy: 0.920 local terms energy: -516.350177 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -135.578 flat angles C4'-P-C4' energy: -140.385 flat angles P-C4'-P energy: -73.264 tors. eta vs tors. theta energy: -28.603 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: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3046.062022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.062022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.062022 (E_RNA) where: Base-Base interactions energy: -2146.838 where: short stacking energy: -878.804 Base-Backbone interact. energy: -2.213 local terms energy: -897.010388 where: bonds (distance) C4'-P energy: -164.127 bonds (distance) P-C4' energy: -169.887 flat angles C4'-P-C4' energy: -192.036 flat angles P-C4'-P energy: -131.919 tors. eta vs tors. theta energy: -239.042 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: 319 Temperature: 0.950000 Total energy: -2952.372472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.372472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.372472 (E_RNA) where: Base-Base interactions energy: -2042.646 where: short stacking energy: -893.186 Base-Backbone interact. energy: -2.003 local terms energy: -907.723986 where: bonds (distance) C4'-P energy: -164.606 bonds (distance) P-C4' energy: -164.014 flat angles C4'-P-C4' energy: -192.855 flat angles P-C4'-P energy: -123.985 tors. eta vs tors. theta energy: -262.264 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: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -2792.134173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.134173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.134173 (E_RNA) where: Base-Base interactions energy: -1942.868 where: short stacking energy: -846.333 Base-Backbone interact. energy: 2.360 local terms energy: -851.626307 where: bonds (distance) C4'-P energy: -156.535 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -179.454 flat angles P-C4'-P energy: -118.025 tors. eta vs tors. theta energy: -241.253 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: 7 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2590.281668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.281668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.281668 (E_RNA) where: Base-Base interactions energy: -1826.057 where: short stacking energy: -795.750 Base-Backbone interact. energy: -2.315 local terms energy: -761.910023 where: bonds (distance) C4'-P energy: -141.167 bonds (distance) P-C4' energy: -142.679 flat angles C4'-P-C4' energy: -159.471 flat angles P-C4'-P energy: -116.027 tors. eta vs tors. theta energy: -202.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2392.717447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.717447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.717447 (E_RNA) where: Base-Base interactions energy: -1610.349 where: short stacking energy: -724.146 Base-Backbone interact. energy: -2.789 local terms energy: -779.579152 where: bonds (distance) C4'-P energy: -139.716 bonds (distance) P-C4' energy: -164.623 flat angles C4'-P-C4' energy: -172.089 flat angles P-C4'-P energy: -99.431 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: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2192.746891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.746891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.746891 (E_RNA) where: Base-Base interactions energy: -1482.383 where: short stacking energy: -653.105 Base-Backbone interact. energy: -2.580 local terms energy: -707.783241 where: bonds (distance) C4'-P energy: -138.135 bonds (distance) P-C4' energy: -155.581 flat angles C4'-P-C4' energy: -152.928 flat angles P-C4'-P energy: -92.630 tors. eta vs tors. theta energy: -168.509 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: 9 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1920.531075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.531075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.531075 (E_RNA) where: Base-Base interactions energy: -1286.031 where: short stacking energy: -582.693 Base-Backbone interact. energy: -4.243 local terms energy: -630.257496 where: bonds (distance) C4'-P energy: -121.355 bonds (distance) P-C4' energy: -133.886 flat angles C4'-P-C4' energy: -171.028 flat angles P-C4'-P energy: -97.914 tors. eta vs tors. theta energy: -106.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1641.923636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.923636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.923636 (E_RNA) where: Base-Base interactions energy: -1068.289 where: short stacking energy: -494.244 Base-Backbone interact. energy: -1.781 local terms energy: -571.853747 where: bonds (distance) C4'-P energy: -128.966 bonds (distance) P-C4' energy: -153.535 flat angles C4'-P-C4' energy: -115.682 flat angles P-C4'-P energy: -80.209 tors. eta vs tors. theta energy: -93.461 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: 9, replica: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1657.604758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.604758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.604758 (E_RNA) where: Base-Base interactions energy: -1091.953 where: short stacking energy: -479.988 Base-Backbone interact. energy: 2.152 local terms energy: -567.803617 where: bonds (distance) C4'-P energy: -121.348 bonds (distance) P-C4' energy: -142.719 flat angles C4'-P-C4' energy: -129.923 flat angles P-C4'-P energy: -78.703 tors. eta vs tors. theta energy: -95.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1123.268231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.268231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.268231 (E_RNA) where: Base-Base interactions energy: -642.075 where: short stacking energy: -330.943 Base-Backbone interact. energy: 3.333 local terms energy: -484.526193 where: bonds (distance) C4'-P energy: -129.455 bonds (distance) P-C4' energy: -132.611 flat angles C4'-P-C4' energy: -110.778 flat angles P-C4'-P energy: -73.087 tors. eta vs tors. theta energy: -38.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3020.482216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.482216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.482216 (E_RNA) where: Base-Base interactions energy: -2100.551 where: short stacking energy: -881.147 Base-Backbone interact. energy: -3.594 local terms energy: -916.337045 where: bonds (distance) C4'-P energy: -176.060 bonds (distance) P-C4' energy: -167.145 flat angles C4'-P-C4' energy: -196.632 flat angles P-C4'-P energy: -127.403 tors. eta vs tors. theta energy: -249.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -2934.267765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.267765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.267765 (E_RNA) where: Base-Base interactions energy: -2045.187 where: short stacking energy: -876.673 Base-Backbone interact. energy: -2.734 local terms energy: -886.347140 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -186.480 flat angles C4'-P-C4' energy: -195.838 flat angles P-C4'-P energy: -126.635 tors. eta vs tors. theta energy: -245.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2787.040726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.040726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.040726 (E_RNA) where: Base-Base interactions energy: -1926.438 where: short stacking energy: -821.560 Base-Backbone interact. energy: -2.753 local terms energy: -857.849662 where: bonds (distance) C4'-P energy: -162.876 bonds (distance) P-C4' energy: -161.050 flat angles C4'-P-C4' energy: -175.932 flat angles P-C4'-P energy: -123.297 tors. eta vs tors. theta energy: -234.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2611.195812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.195812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.195812 (E_RNA) where: Base-Base interactions energy: -1815.464 where: short stacking energy: -765.915 Base-Backbone interact. energy: -2.728 local terms energy: -793.004185 where: bonds (distance) C4'-P energy: -164.719 bonds (distance) P-C4' energy: -143.907 flat angles C4'-P-C4' energy: -160.359 flat angles P-C4'-P energy: -116.222 tors. eta vs tors. theta energy: -207.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2422.905044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.905044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.905044 (E_RNA) where: Base-Base interactions energy: -1633.946 where: short stacking energy: -735.868 Base-Backbone interact. energy: -0.255 local terms energy: -788.704159 where: bonds (distance) C4'-P energy: -145.951 bonds (distance) P-C4' energy: -170.366 flat angles C4'-P-C4' energy: -162.403 flat angles P-C4'-P energy: -112.094 tors. eta vs tors. theta energy: -197.890 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: 2 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2147.848760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.848760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.848760 (E_RNA) where: Base-Base interactions energy: -1478.891 where: short stacking energy: -642.477 Base-Backbone interact. energy: -1.754 local terms energy: -667.203360 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -143.581 flat angles C4'-P-C4' energy: -157.422 flat angles P-C4'-P energy: -80.563 tors. eta vs tors. theta energy: -146.946 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: 9 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1935.077692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.077692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.077692 (E_RNA) where: Base-Base interactions energy: -1269.687 where: short stacking energy: -563.928 Base-Backbone interact. energy: -3.133 local terms energy: -662.258209 where: bonds (distance) C4'-P energy: -148.217 bonds (distance) P-C4' energy: -139.044 flat angles C4'-P-C4' energy: -172.833 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -128.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1687.727701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.727701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.727701 (E_RNA) where: Base-Base interactions energy: -1071.668 where: short stacking energy: -474.416 Base-Backbone interact. energy: -0.477 local terms energy: -615.583028 where: bonds (distance) C4'-P energy: -136.846 bonds (distance) P-C4' energy: -141.738 flat angles C4'-P-C4' energy: -143.266 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -107.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1540.707605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.707605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.707605 (E_RNA) where: Base-Base interactions energy: -971.408 where: short stacking energy: -485.482 Base-Backbone interact. energy: -2.743 local terms energy: -566.556539 where: bonds (distance) C4'-P energy: -115.053 bonds (distance) P-C4' energy: -140.060 flat angles C4'-P-C4' energy: -122.611 flat angles P-C4'-P energy: -90.201 tors. eta vs tors. theta energy: -98.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1148.206924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.206924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.206924 (E_RNA) where: Base-Base interactions energy: -700.400 where: short stacking energy: -346.569 Base-Backbone interact. energy: -1.501 local terms energy: -446.305168 where: bonds (distance) C4'-P energy: -108.226 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -110.321 flat angles P-C4'-P energy: -72.197 tors. eta vs tors. theta energy: -21.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3008.136060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.136060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.136060 (E_RNA) where: Base-Base interactions energy: -2137.636 where: short stacking energy: -865.895 Base-Backbone interact. energy: -2.730 local terms energy: -867.769468 where: bonds (distance) C4'-P energy: -156.126 bonds (distance) P-C4' energy: -164.962 flat angles C4'-P-C4' energy: -190.602 flat angles P-C4'-P energy: -116.988 tors. eta vs tors. theta energy: -239.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -2976.883615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.883615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.883615 (E_RNA) where: Base-Base interactions energy: -2089.037 where: short stacking energy: -934.186 Base-Backbone interact. energy: -4.033 local terms energy: -883.813567 where: bonds (distance) C4'-P energy: -152.277 bonds (distance) P-C4' energy: -152.905 flat angles C4'-P-C4' energy: -190.930 flat angles P-C4'-P energy: -119.270 tors. eta vs tors. theta energy: -268.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2775.246767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.246767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.246767 (E_RNA) where: Base-Base interactions energy: -1922.326 where: short stacking energy: -836.164 Base-Backbone interact. energy: 4.733 local terms energy: -857.653484 where: bonds (distance) C4'-P energy: -159.906 bonds (distance) P-C4' energy: -158.435 flat angles C4'-P-C4' energy: -184.951 flat angles P-C4'-P energy: -115.801 tors. eta vs tors. theta energy: -238.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2613.954195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.954195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.954195 (E_RNA) where: Base-Base interactions energy: -1806.779 where: short stacking energy: -759.710 Base-Backbone interact. energy: -3.945 local terms energy: -803.230439 where: bonds (distance) C4'-P energy: -144.100 bonds (distance) P-C4' energy: -158.898 flat angles C4'-P-C4' energy: -182.573 flat angles P-C4'-P energy: -114.953 tors. eta vs tors. theta energy: -202.707 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: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2445.726023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.726023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.726023 (E_RNA) where: Base-Base interactions energy: -1651.750 where: short stacking energy: -720.838 Base-Backbone interact. energy: -3.688 local terms energy: -790.288022 where: bonds (distance) C4'-P energy: -147.310 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -164.539 flat angles P-C4'-P energy: -123.299 tors. eta vs tors. theta energy: -197.299 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: 2 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2238.583698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.583698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.583698 (E_RNA) where: Base-Base interactions energy: -1554.091 where: short stacking energy: -645.474 Base-Backbone interact. energy: -2.718 local terms energy: -681.774043 where: bonds (distance) C4'-P energy: -132.450 bonds (distance) P-C4' energy: -147.283 flat angles C4'-P-C4' energy: -137.160 flat angles P-C4'-P energy: -106.610 tors. eta vs tors. theta energy: -158.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1964.252800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.252800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.252800 (E_RNA) where: Base-Base interactions energy: -1323.017 where: short stacking energy: -554.703 Base-Backbone interact. energy: 3.250 local terms energy: -644.486526 where: bonds (distance) C4'-P energy: -152.641 bonds (distance) P-C4' energy: -127.524 flat angles C4'-P-C4' energy: -161.143 flat angles P-C4'-P energy: -75.653 tors. eta vs tors. theta energy: -127.526 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: 321 Temperature: 1.250000 Total energy: -1691.065215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.065215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.065215 (E_RNA) where: Base-Base interactions energy: -1098.854 where: short stacking energy: -477.626 Base-Backbone interact. energy: 2.202 local terms energy: -594.413379 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -128.333 flat angles C4'-P-C4' energy: -156.627 flat angles P-C4'-P energy: -93.668 tors. eta vs tors. theta energy: -87.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1455.445762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.445762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.445762 (E_RNA) where: Base-Base interactions energy: -938.416 where: short stacking energy: -419.336 Base-Backbone interact. energy: -0.489 local terms energy: -516.541021 where: bonds (distance) C4'-P energy: -111.533 bonds (distance) P-C4' energy: -139.974 flat angles C4'-P-C4' energy: -124.547 flat angles P-C4'-P energy: -85.428 tors. eta vs tors. theta energy: -55.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1142.862170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.862170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.862170 (E_RNA) where: Base-Base interactions energy: -696.541 where: short stacking energy: -324.421 Base-Backbone interact. energy: 7.617 local terms energy: -453.937824 where: bonds (distance) C4'-P energy: -111.360 bonds (distance) P-C4' energy: -134.864 flat angles C4'-P-C4' energy: -129.606 flat angles P-C4'-P energy: -59.202 tors. eta vs tors. theta energy: -18.906 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: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3039.626213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.626213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.626213 (E_RNA) where: Base-Base interactions energy: -2136.884 where: short stacking energy: -871.190 Base-Backbone interact. energy: -4.591 local terms energy: -898.151105 where: bonds (distance) C4'-P energy: -172.233 bonds (distance) P-C4' energy: -157.464 flat angles C4'-P-C4' energy: -187.084 flat angles P-C4'-P energy: -125.829 tors. eta vs tors. theta energy: -255.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -2965.455153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.455153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.455153 (E_RNA) where: Base-Base interactions energy: -2069.272 where: short stacking energy: -909.107 Base-Backbone interact. energy: -1.494 local terms energy: -894.688994 where: bonds (distance) C4'-P energy: -151.140 bonds (distance) P-C4' energy: -173.520 flat angles C4'-P-C4' energy: -186.282 flat angles P-C4'-P energy: -125.257 tors. eta vs tors. theta energy: -258.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2781.707356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.707356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.707356 (E_RNA) where: Base-Base interactions energy: -1914.892 where: short stacking energy: -832.298 Base-Backbone interact. energy: -3.887 local terms energy: -862.928615 where: bonds (distance) C4'-P energy: -159.537 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -194.295 flat angles P-C4'-P energy: -105.065 tors. eta vs tors. theta energy: -245.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2598.913389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.913389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.913389 (E_RNA) where: Base-Base interactions energy: -1793.827 where: short stacking energy: -749.780 Base-Backbone interact. energy: -0.808 local terms energy: -804.278730 where: bonds (distance) C4'-P energy: -147.316 bonds (distance) P-C4' energy: -176.416 flat angles C4'-P-C4' energy: -163.558 flat angles P-C4'-P energy: -107.841 tors. eta vs tors. theta energy: -209.147 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: 2 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2486.674330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.674330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.674330 (E_RNA) where: Base-Base interactions energy: -1717.499 where: short stacking energy: -724.861 Base-Backbone interact. energy: -3.027 local terms energy: -766.148040 where: bonds (distance) C4'-P energy: -132.106 bonds (distance) P-C4' energy: -163.981 flat angles C4'-P-C4' energy: -167.027 flat angles P-C4'-P energy: -108.566 tors. eta vs tors. theta energy: -194.469 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2383.687217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.687217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.687217 (E_RNA) where: Base-Base interactions energy: -1620.083 where: short stacking energy: -726.501 Base-Backbone interact. energy: 1.066 local terms energy: -764.670577 where: bonds (distance) C4'-P energy: -152.823 bonds (distance) P-C4' energy: -136.302 flat angles C4'-P-C4' energy: -165.616 flat angles P-C4'-P energy: -97.588 tors. eta vs tors. theta energy: -212.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1896.863903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.863903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.863903 (E_RNA) where: Base-Base interactions energy: -1245.723 where: short stacking energy: -526.429 Base-Backbone interact. energy: -0.776 local terms energy: -650.364559 where: bonds (distance) C4'-P energy: -134.052 bonds (distance) P-C4' energy: -151.014 flat angles C4'-P-C4' energy: -155.804 flat angles P-C4'-P energy: -87.320 tors. eta vs tors. theta energy: -122.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1684.474884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.474884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.474884 (E_RNA) where: Base-Base interactions energy: -1081.316 where: short stacking energy: -498.976 Base-Backbone interact. energy: 0.213 local terms energy: -603.372066 where: bonds (distance) C4'-P energy: -149.594 bonds (distance) P-C4' energy: -116.577 flat angles C4'-P-C4' energy: -134.087 flat angles P-C4'-P energy: -97.578 tors. eta vs tors. theta energy: -105.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1404.806843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.806843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.806843 (E_RNA) where: Base-Base interactions energy: -873.247 where: short stacking energy: -437.795 Base-Backbone interact. energy: -2.397 local terms energy: -529.162319 where: bonds (distance) C4'-P energy: -117.807 bonds (distance) P-C4' energy: -136.950 flat angles C4'-P-C4' energy: -132.802 flat angles P-C4'-P energy: -75.728 tors. eta vs tors. theta energy: -65.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1130.438240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.438240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.438240 (E_RNA) where: Base-Base interactions energy: -660.686 where: short stacking energy: -334.885 Base-Backbone interact. energy: -1.581 local terms energy: -468.171090 where: bonds (distance) C4'-P energy: -109.294 bonds (distance) P-C4' energy: -127.233 flat angles C4'-P-C4' energy: -114.098 flat angles P-C4'-P energy: -77.109 tors. eta vs tors. theta energy: -40.436 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: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3040.245862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.245862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.245862 (E_RNA) where: Base-Base interactions energy: -2124.887 where: short stacking energy: -899.415 Base-Backbone interact. energy: -3.077 local terms energy: -912.281846 where: bonds (distance) C4'-P energy: -176.308 bonds (distance) P-C4' energy: -179.269 flat angles C4'-P-C4' energy: -198.002 flat angles P-C4'-P energy: -108.001 tors. eta vs tors. theta energy: -250.702 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: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -2973.887804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.887804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.887804 (E_RNA) where: Base-Base interactions energy: -2036.422 where: short stacking energy: -906.703 Base-Backbone interact. energy: -0.174 local terms energy: -937.292155 where: bonds (distance) C4'-P energy: -173.394 bonds (distance) P-C4' energy: -177.264 flat angles C4'-P-C4' energy: -193.181 flat angles P-C4'-P energy: -130.245 tors. eta vs tors. theta energy: -263.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2778.086065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.086065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.086065 (E_RNA) where: Base-Base interactions energy: -1915.401 where: short stacking energy: -865.426 Base-Backbone interact. energy: -3.881 local terms energy: -858.804827 where: bonds (distance) C4'-P energy: -145.513 bonds (distance) P-C4' energy: -163.704 flat angles C4'-P-C4' energy: -183.217 flat angles P-C4'-P energy: -119.001 tors. eta vs tors. theta energy: -247.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2625.310206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.310206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.310206 (E_RNA) where: Base-Base interactions energy: -1860.894 where: short stacking energy: -756.106 Base-Backbone interact. energy: -5.393 local terms energy: -759.023292 where: bonds (distance) C4'-P energy: -132.588 bonds (distance) P-C4' energy: -153.016 flat angles C4'-P-C4' energy: -162.714 flat angles P-C4'-P energy: -102.768 tors. eta vs tors. theta energy: -207.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2374.602577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.602577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.602577 (E_RNA) where: Base-Base interactions energy: -1633.100 where: short stacking energy: -705.565 Base-Backbone interact. energy: -2.543 local terms energy: -738.959943 where: bonds (distance) C4'-P energy: -142.562 bonds (distance) P-C4' energy: -141.490 flat angles C4'-P-C4' energy: -170.011 flat angles P-C4'-P energy: -94.546 tors. eta vs tors. theta energy: -190.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2380.320219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.320219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.320219 (E_RNA) where: Base-Base interactions energy: -1607.082 where: short stacking energy: -724.779 Base-Backbone interact. energy: -2.998 local terms energy: -770.241179 where: bonds (distance) C4'-P energy: -139.216 bonds (distance) P-C4' energy: -152.572 flat angles C4'-P-C4' energy: -166.876 flat angles P-C4'-P energy: -104.722 tors. eta vs tors. theta energy: -206.856 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: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1890.988196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.988196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.988196 (E_RNA) where: Base-Base interactions energy: -1278.990 where: short stacking energy: -532.437 Base-Backbone interact. energy: -2.967 local terms energy: -609.030829 where: bonds (distance) C4'-P energy: -140.168 bonds (distance) P-C4' energy: -117.382 flat angles C4'-P-C4' energy: -151.104 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -103.530 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1674.596276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.596276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.596276 (E_RNA) where: Base-Base interactions energy: -1063.560 where: short stacking energy: -493.200 Base-Backbone interact. energy: 0.412 local terms energy: -611.448368 where: bonds (distance) C4'-P energy: -132.896 bonds (distance) P-C4' energy: -138.565 flat angles C4'-P-C4' energy: -155.370 flat angles P-C4'-P energy: -86.619 tors. eta vs tors. theta energy: -98.000 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: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1406.943977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.943977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.943977 (E_RNA) where: Base-Base interactions energy: -847.581 where: short stacking energy: -401.161 Base-Backbone interact. energy: -1.658 local terms energy: -557.705048 where: bonds (distance) C4'-P energy: -136.755 bonds (distance) P-C4' energy: -139.475 flat angles C4'-P-C4' energy: -138.801 flat angles P-C4'-P energy: -73.131 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: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1187.754942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.754942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.754942 (E_RNA) where: Base-Base interactions energy: -688.940 where: short stacking energy: -321.059 Base-Backbone interact. energy: -1.711 local terms energy: -497.103473 where: bonds (distance) C4'-P energy: -139.789 bonds (distance) P-C4' energy: -140.579 flat angles C4'-P-C4' energy: -118.022 flat angles P-C4'-P energy: -76.351 tors. eta vs tors. theta energy: -22.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3038.395842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.395842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.395842 (E_RNA) where: Base-Base interactions energy: -2133.719 where: short stacking energy: -892.971 Base-Backbone interact. energy: -3.545 local terms energy: -901.131616 where: bonds (distance) C4'-P energy: -162.458 bonds (distance) P-C4' energy: -156.251 flat angles C4'-P-C4' energy: -196.049 flat angles P-C4'-P energy: -139.014 tors. eta vs tors. theta energy: -247.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -2910.615380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.615380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.615380 (E_RNA) where: Base-Base interactions energy: -2036.414 where: short stacking energy: -890.793 Base-Backbone interact. energy: -3.866 local terms energy: -870.335075 where: bonds (distance) C4'-P energy: -137.983 bonds (distance) P-C4' energy: -166.619 flat angles C4'-P-C4' energy: -189.546 flat angles P-C4'-P energy: -114.122 tors. eta vs tors. theta energy: -262.066 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: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2772.966591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.966591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.966591 (E_RNA) where: Base-Base interactions energy: -1899.429 where: short stacking energy: -836.723 Base-Backbone interact. energy: -2.808 local terms energy: -870.729707 where: bonds (distance) C4'-P energy: -159.474 bonds (distance) P-C4' energy: -164.989 flat angles C4'-P-C4' energy: -172.064 flat angles P-C4'-P energy: -133.604 tors. eta vs tors. theta energy: -240.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2635.589545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.589545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.589545 (E_RNA) where: Base-Base interactions energy: -1826.966 where: short stacking energy: -778.467 Base-Backbone interact. energy: -3.679 local terms energy: -804.944179 where: bonds (distance) C4'-P energy: -154.048 bonds (distance) P-C4' energy: -152.621 flat angles C4'-P-C4' energy: -177.211 flat angles P-C4'-P energy: -107.250 tors. eta vs tors. theta energy: -213.815 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: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2464.883659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.883659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.883659 (E_RNA) where: Base-Base interactions energy: -1664.879 where: short stacking energy: -764.371 Base-Backbone interact. energy: -0.232 local terms energy: -799.772823 where: bonds (distance) C4'-P energy: -140.195 bonds (distance) P-C4' energy: -168.418 flat angles C4'-P-C4' energy: -162.204 flat angles P-C4'-P energy: -123.622 tors. eta vs tors. theta energy: -205.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2275.275277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.275277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.275277 (E_RNA) where: Base-Base interactions energy: -1558.486 where: short stacking energy: -687.826 Base-Backbone interact. energy: 4.048 local terms energy: -720.837164 where: bonds (distance) C4'-P energy: -138.323 bonds (distance) P-C4' energy: -127.229 flat angles C4'-P-C4' energy: -160.824 flat angles P-C4'-P energy: -112.703 tors. eta vs tors. theta energy: -181.759 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: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1889.858356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.858356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.858356 (E_RNA) where: Base-Base interactions energy: -1239.513 where: short stacking energy: -550.888 Base-Backbone interact. energy: -0.207 local terms energy: -650.137907 where: bonds (distance) C4'-P energy: -115.023 bonds (distance) P-C4' energy: -161.866 flat angles C4'-P-C4' energy: -153.262 flat angles P-C4'-P energy: -99.612 tors. eta vs tors. theta energy: -120.375 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1712.251349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.251349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.251349 (E_RNA) where: Base-Base interactions energy: -1134.485 where: short stacking energy: -516.500 Base-Backbone interact. energy: -2.139 local terms energy: -575.627008 where: bonds (distance) C4'-P energy: -125.146 bonds (distance) P-C4' energy: -117.938 flat angles C4'-P-C4' energy: -152.692 flat angles P-C4'-P energy: -69.544 tors. eta vs tors. theta energy: -110.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1372.995470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.995470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.995470 (E_RNA) where: Base-Base interactions energy: -816.421 where: short stacking energy: -370.454 Base-Backbone interact. energy: 1.960 local terms energy: -558.535193 where: bonds (distance) C4'-P energy: -131.149 bonds (distance) P-C4' energy: -140.293 flat angles C4'-P-C4' energy: -136.046 flat angles P-C4'-P energy: -89.226 tors. eta vs tors. theta energy: -61.821 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: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1292.272667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.272667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.272667 (E_RNA) where: Base-Base interactions energy: -798.287 where: short stacking energy: -393.937 Base-Backbone interact. energy: 0.384 local terms energy: -494.369495 where: bonds (distance) C4'-P energy: -104.128 bonds (distance) P-C4' energy: -126.039 flat angles C4'-P-C4' energy: -127.579 flat angles P-C4'-P energy: -78.967 tors. eta vs tors. theta energy: -57.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3032.752919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.752919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.752919 (E_RNA) where: Base-Base interactions energy: -2159.376 where: short stacking energy: -890.283 Base-Backbone interact. energy: -1.329 local terms energy: -872.047800 where: bonds (distance) C4'-P energy: -152.994 bonds (distance) P-C4' energy: -163.308 flat angles C4'-P-C4' energy: -191.119 flat angles P-C4'-P energy: -120.024 tors. eta vs tors. theta energy: -244.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -2922.354397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.354397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.354397 (E_RNA) where: Base-Base interactions energy: -2062.772 where: short stacking energy: -869.417 Base-Backbone interact. energy: -3.959 local terms energy: -855.623799 where: bonds (distance) C4'-P energy: -158.123 bonds (distance) P-C4' energy: -154.414 flat angles C4'-P-C4' energy: -177.678 flat angles P-C4'-P energy: -116.327 tors. eta vs tors. theta energy: -249.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2759.083228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.083228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.083228 (E_RNA) where: Base-Base interactions energy: -1925.905 where: short stacking energy: -811.251 Base-Backbone interact. energy: -4.011 local terms energy: -829.167233 where: bonds (distance) C4'-P energy: -139.919 bonds (distance) P-C4' energy: -161.203 flat angles C4'-P-C4' energy: -185.695 flat angles P-C4'-P energy: -120.632 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: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2641.580191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.580191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.580191 (E_RNA) where: Base-Base interactions energy: -1840.708 where: short stacking energy: -781.803 Base-Backbone interact. energy: -2.135 local terms energy: -798.736693 where: bonds (distance) C4'-P energy: -144.833 bonds (distance) P-C4' energy: -144.091 flat angles C4'-P-C4' energy: -179.134 flat angles P-C4'-P energy: -124.245 tors. eta vs tors. theta energy: -206.434 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: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2386.639119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.639119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.639119 (E_RNA) where: Base-Base interactions energy: -1610.107 where: short stacking energy: -720.113 Base-Backbone interact. energy: 3.406 local terms energy: -779.937781 where: bonds (distance) C4'-P energy: -153.756 bonds (distance) P-C4' energy: -154.665 flat angles C4'-P-C4' energy: -161.727 flat angles P-C4'-P energy: -113.129 tors. eta vs tors. theta energy: -196.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2341.688870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.688870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.688870 (E_RNA) where: Base-Base interactions energy: -1621.026 where: short stacking energy: -707.463 Base-Backbone interact. energy: 1.953 local terms energy: -722.615889 where: bonds (distance) C4'-P energy: -119.837 bonds (distance) P-C4' energy: -161.858 flat angles C4'-P-C4' energy: -157.904 flat angles P-C4'-P energy: -92.115 tors. eta vs tors. theta energy: -190.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1966.048831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.048831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.048831 (E_RNA) where: Base-Base interactions energy: -1304.862 where: short stacking energy: -568.995 Base-Backbone interact. energy: 0.169 local terms energy: -661.355791 where: bonds (distance) C4'-P energy: -160.376 bonds (distance) P-C4' energy: -135.740 flat angles C4'-P-C4' energy: -152.580 flat angles P-C4'-P energy: -98.776 tors. eta vs tors. theta energy: -113.884 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: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1653.768228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.768228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.768228 (E_RNA) where: Base-Base interactions energy: -1076.556 where: short stacking energy: -483.210 Base-Backbone interact. energy: -0.131 local terms energy: -577.080589 where: bonds (distance) C4'-P energy: -137.500 bonds (distance) P-C4' energy: -127.918 flat angles C4'-P-C4' energy: -137.393 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1476.375860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.375860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.375860 (E_RNA) where: Base-Base interactions energy: -907.650 where: short stacking energy: -431.169 Base-Backbone interact. energy: -0.549 local terms energy: -568.176723 where: bonds (distance) C4'-P energy: -148.447 bonds (distance) P-C4' energy: -126.336 flat angles C4'-P-C4' energy: -134.632 flat angles P-C4'-P energy: -67.368 tors. eta vs tors. theta energy: -91.394 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: 325 Temperature: 1.350000 Total energy: -1484.174169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.174169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.174169 (E_RNA) where: Base-Base interactions energy: -941.877 where: short stacking energy: -421.446 Base-Backbone interact. energy: 4.332 local terms energy: -546.628988 where: bonds (distance) C4'-P energy: -124.664 bonds (distance) P-C4' energy: -131.437 flat angles C4'-P-C4' energy: -140.855 flat angles P-C4'-P energy: -69.620 tors. eta vs tors. theta energy: -80.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -2979.489929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.489929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.489929 (E_RNA) where: Base-Base interactions energy: -2062.231 where: short stacking energy: -912.143 Base-Backbone interact. energy: -1.205 local terms energy: -916.054596 where: bonds (distance) C4'-P energy: -169.685 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -195.941 flat angles P-C4'-P energy: -124.346 tors. eta vs tors. theta energy: -257.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -2941.051893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.051893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.051893 (E_RNA) where: Base-Base interactions energy: -2080.895 where: short stacking energy: -857.572 Base-Backbone interact. energy: -3.096 local terms energy: -857.061158 where: bonds (distance) C4'-P energy: -139.641 bonds (distance) P-C4' energy: -162.321 flat angles C4'-P-C4' energy: -186.779 flat angles P-C4'-P energy: -137.421 tors. eta vs tors. theta energy: -230.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2738.453665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.453665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.453665 (E_RNA) where: Base-Base interactions energy: -1906.338 where: short stacking energy: -834.773 Base-Backbone interact. energy: -3.461 local terms energy: -828.654061 where: bonds (distance) C4'-P energy: -148.352 bonds (distance) P-C4' energy: -150.440 flat angles C4'-P-C4' energy: -184.947 flat angles P-C4'-P energy: -107.333 tors. eta vs tors. theta energy: -237.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2656.617296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.617296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.617296 (E_RNA) where: Base-Base interactions energy: -1879.567 where: short stacking energy: -787.161 Base-Backbone interact. energy: -5.937 local terms energy: -771.113848 where: bonds (distance) C4'-P energy: -135.800 bonds (distance) P-C4' energy: -144.922 flat angles C4'-P-C4' energy: -164.607 flat angles P-C4'-P energy: -117.394 tors. eta vs tors. theta energy: -208.391 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: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2407.802305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.802305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.802305 (E_RNA) where: Base-Base interactions energy: -1640.075 where: short stacking energy: -730.549 Base-Backbone interact. energy: -1.522 local terms energy: -766.204852 where: bonds (distance) C4'-P energy: -149.437 bonds (distance) P-C4' energy: -143.853 flat angles C4'-P-C4' energy: -169.247 flat angles P-C4'-P energy: -104.075 tors. eta vs tors. theta energy: -199.594 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: 2 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2361.134780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.134780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.134780 (E_RNA) where: Base-Base interactions energy: -1617.327 where: short stacking energy: -721.543 Base-Backbone interact. energy: -3.597 local terms energy: -740.211119 where: bonds (distance) C4'-P energy: -126.813 bonds (distance) P-C4' energy: -160.969 flat angles C4'-P-C4' energy: -170.102 flat angles P-C4'-P energy: -73.402 tors. eta vs tors. theta energy: -208.925 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: 9 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1937.496330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.496330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.496330 (E_RNA) where: Base-Base interactions energy: -1288.827 where: short stacking energy: -540.201 Base-Backbone interact. energy: -2.765 local terms energy: -645.904790 where: bonds (distance) C4'-P energy: -138.663 bonds (distance) P-C4' energy: -126.410 flat angles C4'-P-C4' energy: -159.712 flat angles P-C4'-P energy: -84.310 tors. eta vs tors. theta energy: -136.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1694.938138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.938138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.938138 (E_RNA) where: Base-Base interactions energy: -1104.300 where: short stacking energy: -508.379 Base-Backbone interact. energy: -1.897 local terms energy: -588.741656 where: bonds (distance) C4'-P energy: -118.269 bonds (distance) P-C4' energy: -151.439 flat angles C4'-P-C4' energy: -157.240 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -89.924 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: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1467.132971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.132971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.132971 (E_RNA) where: Base-Base interactions energy: -952.791 where: short stacking energy: -427.097 Base-Backbone interact. energy: -1.646 local terms energy: -512.695939 where: bonds (distance) C4'-P energy: -118.381 bonds (distance) P-C4' energy: -137.172 flat angles C4'-P-C4' energy: -124.368 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -65.259 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: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1337.643715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.643715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.643715 (E_RNA) where: Base-Base interactions energy: -822.479 where: short stacking energy: -375.292 Base-Backbone interact. energy: -2.813 local terms energy: -512.351581 where: bonds (distance) C4'-P energy: -121.654 bonds (distance) P-C4' energy: -137.719 flat angles C4'-P-C4' energy: -127.060 flat angles P-C4'-P energy: -65.628 tors. eta vs tors. theta energy: -60.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -2988.730844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.730844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.730844 (E_RNA) where: Base-Base interactions energy: -2062.343 where: short stacking energy: -908.418 Base-Backbone interact. energy: -2.141 local terms energy: -924.245974 where: bonds (distance) C4'-P energy: -159.881 bonds (distance) P-C4' energy: -173.490 flat angles C4'-P-C4' energy: -199.371 flat angles P-C4'-P energy: -122.133 tors. eta vs tors. theta energy: -269.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -2921.837199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.837199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.837199 (E_RNA) where: Base-Base interactions energy: -2032.084 where: short stacking energy: -841.935 Base-Backbone interact. energy: 0.724 local terms energy: -890.477507 where: bonds (distance) C4'-P energy: -171.536 bonds (distance) P-C4' energy: -166.631 flat angles C4'-P-C4' energy: -183.401 flat angles P-C4'-P energy: -132.834 tors. eta vs tors. theta energy: -236.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2768.067192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.067192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.067192 (E_RNA) where: Base-Base interactions energy: -1916.638 where: short stacking energy: -829.028 Base-Backbone interact. energy: -2.946 local terms energy: -848.482599 where: bonds (distance) C4'-P energy: -150.455 bonds (distance) P-C4' energy: -146.768 flat angles C4'-P-C4' energy: -186.208 flat angles P-C4'-P energy: -120.644 tors. eta vs tors. theta energy: -244.408 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: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2661.065308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.065308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.065308 (E_RNA) where: Base-Base interactions energy: -1834.754 where: short stacking energy: -761.093 Base-Backbone interact. energy: 0.523 local terms energy: -826.834313 where: bonds (distance) C4'-P energy: -145.293 bonds (distance) P-C4' energy: -158.784 flat angles C4'-P-C4' energy: -183.529 flat angles P-C4'-P energy: -126.676 tors. eta vs tors. theta energy: -212.553 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: 3 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2458.471069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.471069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.471069 (E_RNA) where: Base-Base interactions energy: -1671.499 where: short stacking energy: -769.710 Base-Backbone interact. energy: 3.561 local terms energy: -790.532891 where: bonds (distance) C4'-P energy: -138.889 bonds (distance) P-C4' energy: -165.225 flat angles C4'-P-C4' energy: -168.666 flat angles P-C4'-P energy: -104.766 tors. eta vs tors. theta energy: -212.986 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: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2345.640605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.640605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.640605 (E_RNA) where: Base-Base interactions energy: -1593.694 where: short stacking energy: -696.373 Base-Backbone interact. energy: -2.126 local terms energy: -749.821008 where: bonds (distance) C4'-P energy: -154.058 bonds (distance) P-C4' energy: -142.422 flat angles C4'-P-C4' energy: -147.507 flat angles P-C4'-P energy: -106.578 tors. eta vs tors. theta energy: -199.256 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: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1947.077298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.077298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.077298 (E_RNA) where: Base-Base interactions energy: -1308.307 where: short stacking energy: -584.036 Base-Backbone interact. energy: -1.388 local terms energy: -637.382109 where: bonds (distance) C4'-P energy: -119.212 bonds (distance) P-C4' energy: -141.232 flat angles C4'-P-C4' energy: -160.636 flat angles P-C4'-P energy: -84.533 tors. eta vs tors. theta energy: -131.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1692.990959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.990959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.990959 (E_RNA) where: Base-Base interactions energy: -1079.188 where: short stacking energy: -526.972 Base-Backbone interact. energy: -4.112 local terms energy: -609.690134 where: bonds (distance) C4'-P energy: -126.459 bonds (distance) P-C4' energy: -138.807 flat angles C4'-P-C4' energy: -156.337 flat angles P-C4'-P energy: -91.153 tors. eta vs tors. theta energy: -96.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1524.689401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.689401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.689401 (E_RNA) where: Base-Base interactions energy: -949.964 where: short stacking energy: -450.145 Base-Backbone interact. energy: -3.514 local terms energy: -571.211777 where: bonds (distance) C4'-P energy: -135.383 bonds (distance) P-C4' energy: -148.182 flat angles C4'-P-C4' energy: -117.709 flat angles P-C4'-P energy: -87.235 tors. eta vs tors. theta energy: -82.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1300.234519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.234519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.234519 (E_RNA) where: Base-Base interactions energy: -795.832 where: short stacking energy: -383.322 Base-Backbone interact. energy: -5.305 local terms energy: -499.097702 where: bonds (distance) C4'-P energy: -126.430 bonds (distance) P-C4' energy: -128.939 flat angles C4'-P-C4' energy: -112.447 flat angles P-C4'-P energy: -88.481 tors. eta vs tors. theta energy: -42.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -2972.510784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.510784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.510784 (E_RNA) where: Base-Base interactions energy: -2062.824 where: short stacking energy: -872.878 Base-Backbone interact. energy: 0.448 local terms energy: -910.134919 where: bonds (distance) C4'-P energy: -163.253 bonds (distance) P-C4' energy: -170.839 flat angles C4'-P-C4' energy: -199.537 flat angles P-C4'-P energy: -129.019 tors. eta vs tors. theta energy: -247.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -2939.024958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.024958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.024958 (E_RNA) where: Base-Base interactions energy: -2063.967 where: short stacking energy: -859.837 Base-Backbone interact. energy: -1.688 local terms energy: -873.370706 where: bonds (distance) C4'-P energy: -160.330 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -195.220 flat angles P-C4'-P energy: -130.974 tors. eta vs tors. theta energy: -233.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2790.977454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.977454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.977454 (E_RNA) where: Base-Base interactions energy: -1947.110 where: short stacking energy: -817.481 Base-Backbone interact. energy: -1.874 local terms energy: -841.993852 where: bonds (distance) C4'-P energy: -161.301 bonds (distance) P-C4' energy: -153.576 flat angles C4'-P-C4' energy: -173.355 flat angles P-C4'-P energy: -124.412 tors. eta vs tors. theta energy: -229.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2634.332230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.332230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.332230 (E_RNA) where: Base-Base interactions energy: -1838.604 where: short stacking energy: -774.004 Base-Backbone interact. energy: -4.280 local terms energy: -791.447308 where: bonds (distance) C4'-P energy: -150.899 bonds (distance) P-C4' energy: -142.905 flat angles C4'-P-C4' energy: -187.963 flat angles P-C4'-P energy: -97.486 tors. eta vs tors. theta energy: -212.193 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: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2440.245455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.245455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.245455 (E_RNA) where: Base-Base interactions energy: -1627.449 where: short stacking energy: -726.792 Base-Backbone interact. energy: -1.276 local terms energy: -811.520347 where: bonds (distance) C4'-P energy: -135.802 bonds (distance) P-C4' energy: -156.875 flat angles C4'-P-C4' energy: -174.279 flat angles P-C4'-P energy: -124.814 tors. eta vs tors. theta energy: -219.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2309.467541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.467541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.467541 (E_RNA) where: Base-Base interactions energy: -1596.043 where: short stacking energy: -685.119 Base-Backbone interact. energy: -1.981 local terms energy: -711.443836 where: bonds (distance) C4'-P energy: -121.697 bonds (distance) P-C4' energy: -158.776 flat angles C4'-P-C4' energy: -151.249 flat angles P-C4'-P energy: -98.626 tors. eta vs tors. theta energy: -181.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1878.091110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.091110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.091110 (E_RNA) where: Base-Base interactions energy: -1217.371 where: short stacking energy: -541.038 Base-Backbone interact. energy: -1.714 local terms energy: -659.005909 where: bonds (distance) C4'-P energy: -133.012 bonds (distance) P-C4' energy: -159.818 flat angles C4'-P-C4' energy: -155.134 flat angles P-C4'-P energy: -91.857 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: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1666.297623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.297623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.297623 (E_RNA) where: Base-Base interactions energy: -1081.573 where: short stacking energy: -451.928 Base-Backbone interact. energy: 1.342 local terms energy: -586.066636 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -147.695 flat angles C4'-P-C4' energy: -133.395 flat angles P-C4'-P energy: -88.794 tors. eta vs tors. theta energy: -83.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1515.331308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.331308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.331308 (E_RNA) where: Base-Base interactions energy: -963.703 where: short stacking energy: -459.188 Base-Backbone interact. energy: -5.012 local terms energy: -546.615718 where: bonds (distance) C4'-P energy: -133.661 bonds (distance) P-C4' energy: -148.356 flat angles C4'-P-C4' energy: -123.433 flat angles P-C4'-P energy: -77.689 tors. eta vs tors. theta energy: -63.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1277.853184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.853184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.853184 (E_RNA) where: Base-Base interactions energy: -771.582 where: short stacking energy: -337.954 Base-Backbone interact. energy: 5.882 local terms energy: -512.153300 where: bonds (distance) C4'-P energy: -136.396 bonds (distance) P-C4' energy: -152.035 flat angles C4'-P-C4' energy: -116.872 flat angles P-C4'-P energy: -74.896 tors. eta vs tors. theta energy: -31.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -2998.254146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.254146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.254146 (E_RNA) where: Base-Base interactions energy: -2099.469 where: short stacking energy: -905.640 Base-Backbone interact. energy: -3.297 local terms energy: -895.488384 where: bonds (distance) C4'-P energy: -151.951 bonds (distance) P-C4' energy: -161.733 flat angles C4'-P-C4' energy: -190.112 flat angles P-C4'-P energy: -131.654 tors. eta vs tors. theta energy: -260.038 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: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -2943.894722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.894722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.894722 (E_RNA) where: Base-Base interactions energy: -2087.127 where: short stacking energy: -847.815 Base-Backbone interact. energy: -1.948 local terms energy: -854.819481 where: bonds (distance) C4'-P energy: -159.610 bonds (distance) P-C4' energy: -134.514 flat angles C4'-P-C4' energy: -196.310 flat angles P-C4'-P energy: -122.668 tors. eta vs tors. theta energy: -241.716 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: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2814.250086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.250086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.250086 (E_RNA) where: Base-Base interactions energy: -1950.899 where: short stacking energy: -863.587 Base-Backbone interact. energy: -3.212 local terms energy: -860.139346 where: bonds (distance) C4'-P energy: -138.984 bonds (distance) P-C4' energy: -179.700 flat angles C4'-P-C4' energy: -179.523 flat angles P-C4'-P energy: -121.906 tors. eta vs tors. theta energy: -240.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2659.930648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.930648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.930648 (E_RNA) where: Base-Base interactions energy: -1871.264 where: short stacking energy: -768.206 Base-Backbone interact. energy: -0.662 local terms energy: -788.004212 where: bonds (distance) C4'-P energy: -148.654 bonds (distance) P-C4' energy: -146.670 flat angles C4'-P-C4' energy: -178.494 flat angles P-C4'-P energy: -114.042 tors. eta vs tors. theta energy: -200.144 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: 3 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2445.065442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.065442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.065442 (E_RNA) where: Base-Base interactions energy: -1654.282 where: short stacking energy: -732.350 Base-Backbone interact. energy: 4.909 local terms energy: -795.693094 where: bonds (distance) C4'-P energy: -135.345 bonds (distance) P-C4' energy: -162.568 flat angles C4'-P-C4' energy: -172.822 flat angles P-C4'-P energy: -109.620 tors. eta vs tors. theta energy: -215.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2329.971255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.971255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.971255 (E_RNA) where: Base-Base interactions energy: -1613.649 where: short stacking energy: -686.843 Base-Backbone interact. energy: -2.762 local terms energy: -713.560480 where: bonds (distance) C4'-P energy: -127.412 bonds (distance) P-C4' energy: -140.901 flat angles C4'-P-C4' energy: -158.774 flat angles P-C4'-P energy: -90.119 tors. eta vs tors. theta energy: -196.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1850.759400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.759400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.759400 (E_RNA) where: Base-Base interactions energy: -1226.756 where: short stacking energy: -511.696 Base-Backbone interact. energy: 1.018 local terms energy: -625.021241 where: bonds (distance) C4'-P energy: -138.885 bonds (distance) P-C4' energy: -153.492 flat angles C4'-P-C4' energy: -152.067 flat angles P-C4'-P energy: -71.477 tors. eta vs tors. theta energy: -109.100 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: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1586.155713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.155713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.155713 (E_RNA) where: Base-Base interactions energy: -976.559 where: short stacking energy: -438.957 Base-Backbone interact. energy: 3.632 local terms energy: -613.228702 where: bonds (distance) C4'-P energy: -141.482 bonds (distance) P-C4' energy: -140.567 flat angles C4'-P-C4' energy: -154.522 flat angles P-C4'-P energy: -106.236 tors. eta vs tors. theta energy: -70.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1478.781236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.781236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.781236 (E_RNA) where: Base-Base interactions energy: -977.871 where: short stacking energy: -435.672 Base-Backbone interact. energy: -2.472 local terms energy: -498.437924 where: bonds (distance) C4'-P energy: -130.432 bonds (distance) P-C4' energy: -115.233 flat angles C4'-P-C4' energy: -99.746 flat angles P-C4'-P energy: -69.432 tors. eta vs tors. theta energy: -83.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1350.610360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.610360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.610360 (E_RNA) where: Base-Base interactions energy: -817.591 where: short stacking energy: -356.522 Base-Backbone interact. energy: 1.785 local terms energy: -534.805175 where: bonds (distance) C4'-P energy: -126.036 bonds (distance) P-C4' energy: -149.485 flat angles C4'-P-C4' energy: -123.165 flat angles P-C4'-P energy: -79.193 tors. eta vs tors. theta energy: -56.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3046.814740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.814740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.814740 (E_RNA) where: Base-Base interactions energy: -2159.136 where: short stacking energy: -894.114 Base-Backbone interact. energy: -6.109 local terms energy: -881.569143 where: bonds (distance) C4'-P energy: -155.790 bonds (distance) P-C4' energy: -154.028 flat angles C4'-P-C4' energy: -200.105 flat angles P-C4'-P energy: -125.198 tors. eta vs tors. theta energy: -246.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -2946.525793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.525793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.525793 (E_RNA) where: Base-Base interactions energy: -2056.694 where: short stacking energy: -890.321 Base-Backbone interact. energy: -2.003 local terms energy: -887.828629 where: bonds (distance) C4'-P energy: -149.009 bonds (distance) P-C4' energy: -160.558 flat angles C4'-P-C4' energy: -190.672 flat angles P-C4'-P energy: -134.535 tors. eta vs tors. theta energy: -253.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2781.979966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.979966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.979966 (E_RNA) where: Base-Base interactions energy: -1928.757 where: short stacking energy: -828.126 Base-Backbone interact. energy: -4.651 local terms energy: -848.572243 where: bonds (distance) C4'-P energy: -143.241 bonds (distance) P-C4' energy: -169.318 flat angles C4'-P-C4' energy: -181.415 flat angles P-C4'-P energy: -112.372 tors. eta vs tors. theta energy: -242.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2667.368291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.368291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.368291 (E_RNA) where: Base-Base interactions energy: -1849.931 where: short stacking energy: -762.629 Base-Backbone interact. energy: -1.417 local terms energy: -816.020514 where: bonds (distance) C4'-P energy: -147.504 bonds (distance) P-C4' energy: -161.914 flat angles C4'-P-C4' energy: -176.456 flat angles P-C4'-P energy: -110.866 tors. eta vs tors. theta energy: -219.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2484.785523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.785523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.785523 (E_RNA) where: Base-Base interactions energy: -1701.604 where: short stacking energy: -769.732 Base-Backbone interact. energy: -2.632 local terms energy: -780.548903 where: bonds (distance) C4'-P energy: -138.424 bonds (distance) P-C4' energy: -156.622 flat angles C4'-P-C4' energy: -180.823 flat angles P-C4'-P energy: -93.273 tors. eta vs tors. theta energy: -211.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2287.412280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.412280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.412280 (E_RNA) where: Base-Base interactions energy: -1603.583 where: short stacking energy: -691.554 Base-Backbone interact. energy: 1.072 local terms energy: -684.901196 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -150.706 flat angles P-C4'-P energy: -82.185 tors. eta vs tors. theta energy: -173.746 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: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1853.875361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.875361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.875361 (E_RNA) where: Base-Base interactions energy: -1242.467 where: short stacking energy: -550.375 Base-Backbone interact. energy: 3.266 local terms energy: -614.675069 where: bonds (distance) C4'-P energy: -128.695 bonds (distance) P-C4' energy: -143.014 flat angles C4'-P-C4' energy: -140.878 flat angles P-C4'-P energy: -88.625 tors. eta vs tors. theta energy: -113.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1606.463541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.463541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.463541 (E_RNA) where: Base-Base interactions energy: -1017.996 where: short stacking energy: -496.705 Base-Backbone interact. energy: 9.884 local terms energy: -598.352201 where: bonds (distance) C4'-P energy: -140.172 bonds (distance) P-C4' energy: -145.150 flat angles C4'-P-C4' energy: -124.732 flat angles P-C4'-P energy: -90.327 tors. eta vs tors. theta energy: -97.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1512.852403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.852403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.852403 (E_RNA) where: Base-Base interactions energy: -952.577 where: short stacking energy: -467.452 Base-Backbone interact. energy: -1.267 local terms energy: -559.008753 where: bonds (distance) C4'-P energy: -136.322 bonds (distance) P-C4' energy: -124.373 flat angles C4'-P-C4' energy: -122.313 flat angles P-C4'-P energy: -86.262 tors. eta vs tors. theta energy: -89.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1325.435225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.435225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.435225 (E_RNA) where: Base-Base interactions energy: -808.304 where: short stacking energy: -348.761 Base-Backbone interact. energy: -0.568 local terms energy: -516.562951 where: bonds (distance) C4'-P energy: -131.023 bonds (distance) P-C4' energy: -130.353 flat angles C4'-P-C4' energy: -131.125 flat angles P-C4'-P energy: -88.691 tors. eta vs tors. theta energy: -35.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3005.161915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.161915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.161915 (E_RNA) where: Base-Base interactions energy: -2105.149 where: short stacking energy: -880.136 Base-Backbone interact. energy: -1.280 local terms energy: -898.733042 where: bonds (distance) C4'-P energy: -167.589 bonds (distance) P-C4' energy: -175.334 flat angles C4'-P-C4' energy: -186.370 flat angles P-C4'-P energy: -123.192 tors. eta vs tors. theta energy: -246.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -2911.401123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.401123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.401123 (E_RNA) where: Base-Base interactions energy: -2016.687 where: short stacking energy: -872.823 Base-Backbone interact. energy: -0.364 local terms energy: -894.349361 where: bonds (distance) C4'-P energy: -161.021 bonds (distance) P-C4' energy: -160.420 flat angles C4'-P-C4' energy: -194.943 flat angles P-C4'-P energy: -132.649 tors. eta vs tors. theta energy: -245.317 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: 5 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2782.657757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.657757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.657757 (E_RNA) where: Base-Base interactions energy: -1918.499 where: short stacking energy: -853.852 Base-Backbone interact. energy: -5.288 local terms energy: -858.870277 where: bonds (distance) C4'-P energy: -164.608 bonds (distance) P-C4' energy: -173.134 flat angles C4'-P-C4' energy: -170.200 flat angles P-C4'-P energy: -103.483 tors. eta vs tors. theta energy: -247.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2663.281905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.281905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.281905 (E_RNA) where: Base-Base interactions energy: -1871.480 where: short stacking energy: -790.135 Base-Backbone interact. energy: -1.619 local terms energy: -790.182448 where: bonds (distance) C4'-P energy: -132.532 bonds (distance) P-C4' energy: -147.502 flat angles C4'-P-C4' energy: -185.175 flat angles P-C4'-P energy: -109.780 tors. eta vs tors. theta energy: -215.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2428.498825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.498825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.498825 (E_RNA) where: Base-Base interactions energy: -1634.715 where: short stacking energy: -745.047 Base-Backbone interact. energy: -3.454 local terms energy: -790.329849 where: bonds (distance) C4'-P energy: -147.890 bonds (distance) P-C4' energy: -138.157 flat angles C4'-P-C4' energy: -178.176 flat angles P-C4'-P energy: -111.006 tors. eta vs tors. theta energy: -215.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2325.713979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.713979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.713979 (E_RNA) where: Base-Base interactions energy: -1593.863 where: short stacking energy: -725.576 Base-Backbone interact. energy: -2.091 local terms energy: -729.759287 where: bonds (distance) C4'-P energy: -141.352 bonds (distance) P-C4' energy: -142.317 flat angles C4'-P-C4' energy: -159.283 flat angles P-C4'-P energy: -99.239 tors. eta vs tors. theta energy: -187.568 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: 331 Temperature: 1.200000 Total energy: -1851.617655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.617655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.617655 (E_RNA) where: Base-Base interactions energy: -1225.829 where: short stacking energy: -536.634 Base-Backbone interact. energy: 3.276 local terms energy: -629.064083 where: bonds (distance) C4'-P energy: -128.880 bonds (distance) P-C4' energy: -152.087 flat angles C4'-P-C4' energy: -152.695 flat angles P-C4'-P energy: -96.672 tors. eta vs tors. theta energy: -98.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1622.416063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.416063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.416063 (E_RNA) where: Base-Base interactions energy: -1021.762 where: short stacking energy: -494.633 Base-Backbone interact. energy: -1.468 local terms energy: -599.186216 where: bonds (distance) C4'-P energy: -118.335 bonds (distance) P-C4' energy: -138.770 flat angles C4'-P-C4' energy: -152.556 flat angles P-C4'-P energy: -97.627 tors. eta vs tors. theta energy: -91.898 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: 4 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1578.204177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.204177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.204177 (E_RNA) where: Base-Base interactions energy: -982.678 where: short stacking energy: -444.234 Base-Backbone interact. energy: -2.439 local terms energy: -593.087280 where: bonds (distance) C4'-P energy: -120.105 bonds (distance) P-C4' energy: -143.892 flat angles C4'-P-C4' energy: -169.496 flat angles P-C4'-P energy: -78.282 tors. eta vs tors. theta energy: -81.312 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: 8 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1314.148816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.148816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.148816 (E_RNA) where: Base-Base interactions energy: -853.679 where: short stacking energy: -376.205 Base-Backbone interact. energy: -4.013 local terms energy: -456.456397 where: bonds (distance) C4'-P energy: -112.911 bonds (distance) P-C4' energy: -123.813 flat angles C4'-P-C4' energy: -98.175 flat angles P-C4'-P energy: -69.401 tors. eta vs tors. theta energy: -52.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3037.262762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.262762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.262762 (E_RNA) where: Base-Base interactions energy: -2174.279 where: short stacking energy: -879.521 Base-Backbone interact. energy: -3.214 local terms energy: -859.770020 where: bonds (distance) C4'-P energy: -158.090 bonds (distance) P-C4' energy: -152.001 flat angles C4'-P-C4' energy: -183.780 flat angles P-C4'-P energy: -123.466 tors. eta vs tors. theta energy: -242.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -2937.843732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.843732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.843732 (E_RNA) where: Base-Base interactions energy: -2059.932 where: short stacking energy: -892.033 Base-Backbone interact. energy: -2.735 local terms energy: -875.176712 where: bonds (distance) C4'-P energy: -150.823 bonds (distance) P-C4' energy: -157.035 flat angles C4'-P-C4' energy: -184.634 flat angles P-C4'-P energy: -122.872 tors. eta vs tors. theta energy: -259.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2843.477906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.477906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.477906 (E_RNA) where: Base-Base interactions energy: -1975.895 where: short stacking energy: -849.182 Base-Backbone interact. energy: -4.204 local terms energy: -863.378688 where: bonds (distance) C4'-P energy: -160.567 bonds (distance) P-C4' energy: -154.073 flat angles C4'-P-C4' energy: -191.274 flat angles P-C4'-P energy: -113.842 tors. eta vs tors. theta energy: -243.622 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: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2636.080238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.080238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.080238 (E_RNA) where: Base-Base interactions energy: -1844.185 where: short stacking energy: -783.657 Base-Backbone interact. energy: 5.449 local terms energy: -797.344700 where: bonds (distance) C4'-P energy: -159.243 bonds (distance) P-C4' energy: -132.031 flat angles C4'-P-C4' energy: -171.456 flat angles P-C4'-P energy: -124.101 tors. eta vs tors. theta energy: -210.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2443.691891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.691891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.691891 (E_RNA) where: Base-Base interactions energy: -1694.572 where: short stacking energy: -765.457 Base-Backbone interact. energy: 2.317 local terms energy: -751.436545 where: bonds (distance) C4'-P energy: -115.730 bonds (distance) P-C4' energy: -162.217 flat angles C4'-P-C4' energy: -165.294 flat angles P-C4'-P energy: -100.062 tors. eta vs tors. theta energy: -208.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2345.162653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.162653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.162653 (E_RNA) where: Base-Base interactions energy: -1653.104 where: short stacking energy: -708.945 Base-Backbone interact. energy: -2.474 local terms energy: -689.584769 where: bonds (distance) C4'-P energy: -120.758 bonds (distance) P-C4' energy: -148.743 flat angles C4'-P-C4' energy: -149.612 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -197.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1909.899017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.899017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.899017 (E_RNA) where: Base-Base interactions energy: -1248.679 where: short stacking energy: -538.419 Base-Backbone interact. energy: -4.172 local terms energy: -657.048124 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -148.284 flat angles C4'-P-C4' energy: -154.006 flat angles P-C4'-P energy: -83.660 tors. eta vs tors. theta energy: -135.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1621.221852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.221852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.221852 (E_RNA) where: Base-Base interactions energy: -1086.204 where: short stacking energy: -460.904 Base-Backbone interact. energy: -0.349 local terms energy: -534.668603 where: bonds (distance) C4'-P energy: -133.800 bonds (distance) P-C4' energy: -129.053 flat angles C4'-P-C4' energy: -119.743 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -76.988 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: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1540.839429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.839429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.839429 (E_RNA) where: Base-Base interactions energy: -957.251 where: short stacking energy: -433.045 Base-Backbone interact. energy: -3.311 local terms energy: -580.277171 where: bonds (distance) C4'-P energy: -117.492 bonds (distance) P-C4' energy: -141.870 flat angles C4'-P-C4' energy: -122.064 flat angles P-C4'-P energy: -120.239 tors. eta vs tors. theta energy: -78.613 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: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1372.830697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.830697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.830697 (E_RNA) where: Base-Base interactions energy: -900.265 where: short stacking energy: -408.337 Base-Backbone interact. energy: -0.832 local terms energy: -471.733046 where: bonds (distance) C4'-P energy: -105.103 bonds (distance) P-C4' energy: -141.578 flat angles C4'-P-C4' energy: -110.948 flat angles P-C4'-P energy: -61.976 tors. eta vs tors. theta energy: -52.128 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: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3003.530923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.530923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.530923 (E_RNA) where: Base-Base interactions energy: -2121.194 where: short stacking energy: -880.143 Base-Backbone interact. energy: -1.352 local terms energy: -880.984920 where: bonds (distance) C4'-P energy: -142.890 bonds (distance) P-C4' energy: -173.755 flat angles C4'-P-C4' energy: -189.818 flat angles P-C4'-P energy: -130.907 tors. eta vs tors. theta energy: -243.614 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: 333 Temperature: 0.950000 Total energy: -2943.566719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.566719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.566719 (E_RNA) where: Base-Base interactions energy: -2050.079 where: short stacking energy: -885.753 Base-Backbone interact. energy: -2.878 local terms energy: -890.609444 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -163.070 flat angles C4'-P-C4' energy: -190.391 flat angles P-C4'-P energy: -130.992 tors. eta vs tors. theta energy: -241.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2822.834576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.834576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.834576 (E_RNA) where: Base-Base interactions energy: -1951.273 where: short stacking energy: -852.399 Base-Backbone interact. energy: -4.444 local terms energy: -867.118046 where: bonds (distance) C4'-P energy: -158.629 bonds (distance) P-C4' energy: -161.550 flat angles C4'-P-C4' energy: -183.330 flat angles P-C4'-P energy: -117.613 tors. eta vs tors. theta energy: -245.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2611.345902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.345902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.345902 (E_RNA) where: Base-Base interactions energy: -1801.942 where: short stacking energy: -791.780 Base-Backbone interact. energy: 2.051 local terms energy: -811.454935 where: bonds (distance) C4'-P energy: -143.554 bonds (distance) P-C4' energy: -155.335 flat angles C4'-P-C4' energy: -180.538 flat angles P-C4'-P energy: -120.790 tors. eta vs tors. theta energy: -211.238 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: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2491.815736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.815736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.815736 (E_RNA) where: Base-Base interactions energy: -1684.685 where: short stacking energy: -757.768 Base-Backbone interact. energy: -1.165 local terms energy: -805.965482 where: bonds (distance) C4'-P energy: -157.695 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -176.555 flat angles P-C4'-P energy: -127.502 tors. eta vs tors. theta energy: -202.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2429.386629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.386629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.386629 (E_RNA) where: Base-Base interactions energy: -1674.530 where: short stacking energy: -722.267 Base-Backbone interact. energy: -4.230 local terms energy: -750.626760 where: bonds (distance) C4'-P energy: -131.907 bonds (distance) P-C4' energy: -148.446 flat angles C4'-P-C4' energy: -163.515 flat angles P-C4'-P energy: -98.972 tors. eta vs tors. theta energy: -207.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1926.521204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.521204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.521204 (E_RNA) where: Base-Base interactions energy: -1294.178 where: short stacking energy: -555.704 Base-Backbone interact. energy: 1.255 local terms energy: -633.598063 where: bonds (distance) C4'-P energy: -125.147 bonds (distance) P-C4' energy: -150.613 flat angles C4'-P-C4' energy: -157.309 flat angles P-C4'-P energy: -87.873 tors. eta vs tors. theta energy: -112.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1648.169073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.169073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.169073 (E_RNA) where: Base-Base interactions energy: -1070.006 where: short stacking energy: -482.462 Base-Backbone interact. energy: 0.870 local terms energy: -579.033092 where: bonds (distance) C4'-P energy: -131.958 bonds (distance) P-C4' energy: -140.397 flat angles C4'-P-C4' energy: -139.921 flat angles P-C4'-P energy: -78.447 tors. eta vs tors. theta energy: -88.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1550.935322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.935322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.935322 (E_RNA) where: Base-Base interactions energy: -984.237 where: short stacking energy: -426.059 Base-Backbone interact. energy: -3.299 local terms energy: -563.399180 where: bonds (distance) C4'-P energy: -133.967 bonds (distance) P-C4' energy: -127.408 flat angles C4'-P-C4' energy: -133.419 flat angles P-C4'-P energy: -94.422 tors. eta vs tors. theta energy: -74.184 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: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1393.416909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.416909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.416909 (E_RNA) where: Base-Base interactions energy: -894.490 where: short stacking energy: -402.686 Base-Backbone interact. energy: 0.801 local terms energy: -499.728140 where: bonds (distance) C4'-P energy: -122.419 bonds (distance) P-C4' energy: -128.837 flat angles C4'-P-C4' energy: -121.169 flat angles P-C4'-P energy: -77.401 tors. eta vs tors. theta energy: -49.902 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: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3041.450129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.450129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.450129 (E_RNA) where: Base-Base interactions energy: -2146.645 where: short stacking energy: -868.049 Base-Backbone interact. energy: -3.814 local terms energy: -890.991367 where: bonds (distance) C4'-P energy: -173.269 bonds (distance) P-C4' energy: -162.371 flat angles C4'-P-C4' energy: -186.948 flat angles P-C4'-P energy: -119.474 tors. eta vs tors. theta energy: -248.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -2941.032125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.032125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.032125 (E_RNA) where: Base-Base interactions energy: -2038.475 where: short stacking energy: -877.733 Base-Backbone interact. energy: -2.078 local terms energy: -900.479837 where: bonds (distance) C4'-P energy: -170.983 bonds (distance) P-C4' energy: -149.208 flat angles C4'-P-C4' energy: -195.884 flat angles P-C4'-P energy: -132.975 tors. eta vs tors. theta energy: -251.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2798.596611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.596611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.596611 (E_RNA) where: Base-Base interactions energy: -1967.454 where: short stacking energy: -833.469 Base-Backbone interact. energy: -5.928 local terms energy: -825.215112 where: bonds (distance) C4'-P energy: -148.846 bonds (distance) P-C4' energy: -145.574 flat angles C4'-P-C4' energy: -169.862 flat angles P-C4'-P energy: -110.334 tors. eta vs tors. theta energy: -250.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2616.591691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.591691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.591691 (E_RNA) where: Base-Base interactions energy: -1815.232 where: short stacking energy: -789.984 Base-Backbone interact. energy: -3.486 local terms energy: -797.874646 where: bonds (distance) C4'-P energy: -145.512 bonds (distance) P-C4' energy: -147.596 flat angles C4'-P-C4' energy: -164.774 flat angles P-C4'-P energy: -122.204 tors. eta vs tors. theta energy: -217.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2478.771997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.771997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.771997 (E_RNA) where: Base-Base interactions energy: -1664.995 where: short stacking energy: -746.085 Base-Backbone interact. energy: -3.812 local terms energy: -809.964869 where: bonds (distance) C4'-P energy: -143.523 bonds (distance) P-C4' energy: -150.099 flat angles C4'-P-C4' energy: -188.868 flat angles P-C4'-P energy: -118.093 tors. eta vs tors. theta energy: -209.382 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: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2370.966567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.966567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.966567 (E_RNA) where: Base-Base interactions energy: -1622.326 where: short stacking energy: -704.698 Base-Backbone interact. energy: -3.111 local terms energy: -745.529756 where: bonds (distance) C4'-P energy: -137.083 bonds (distance) P-C4' energy: -153.842 flat angles C4'-P-C4' energy: -159.786 flat angles P-C4'-P energy: -89.030 tors. eta vs tors. theta energy: -205.790 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: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1959.988799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.988799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.988799 (E_RNA) where: Base-Base interactions energy: -1301.158 where: short stacking energy: -563.563 Base-Backbone interact. energy: -0.184 local terms energy: -658.646873 where: bonds (distance) C4'-P energy: -144.822 bonds (distance) P-C4' energy: -142.345 flat angles C4'-P-C4' energy: -139.238 flat angles P-C4'-P energy: -103.567 tors. eta vs tors. theta energy: -128.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1661.395061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.395061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.395061 (E_RNA) where: Base-Base interactions energy: -1051.399 where: short stacking energy: -457.575 Base-Backbone interact. energy: -3.951 local terms energy: -606.045587 where: bonds (distance) C4'-P energy: -112.436 bonds (distance) P-C4' energy: -150.766 flat angles C4'-P-C4' energy: -150.146 flat angles P-C4'-P energy: -91.796 tors. eta vs tors. theta energy: -100.903 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: 4 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1533.893780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.893780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.893780 (E_RNA) where: Base-Base interactions energy: -965.616 where: short stacking energy: -456.800 Base-Backbone interact. energy: -2.137 local terms energy: -566.140401 where: bonds (distance) C4'-P energy: -134.301 bonds (distance) P-C4' energy: -154.036 flat angles C4'-P-C4' energy: -139.242 flat angles P-C4'-P energy: -67.328 tors. eta vs tors. theta energy: -71.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1399.843220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.843220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.843220 (E_RNA) where: Base-Base interactions energy: -892.463 where: short stacking energy: -399.377 Base-Backbone interact. energy: 4.199 local terms energy: -511.578701 where: bonds (distance) C4'-P energy: -130.410 bonds (distance) P-C4' energy: -115.517 flat angles C4'-P-C4' energy: -126.435 flat angles P-C4'-P energy: -90.804 tors. eta vs tors. theta energy: -48.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3014.293980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.293980 (E_RNA) where: Base-Base interactions energy: -2148.363 where: short stacking energy: -866.655 Base-Backbone interact. energy: -2.477 local terms energy: -863.454897 where: bonds (distance) C4'-P energy: -157.141 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -191.662 flat angles P-C4'-P energy: -116.810 tors. eta vs tors. theta energy: -248.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -2968.507288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.507288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.507288 (E_RNA) where: Base-Base interactions energy: -2080.458 where: short stacking energy: -874.562 Base-Backbone interact. energy: -1.843 local terms energy: -886.206707 where: bonds (distance) C4'-P energy: -158.024 bonds (distance) P-C4' energy: -155.978 flat angles C4'-P-C4' energy: -186.591 flat angles P-C4'-P energy: -129.348 tors. eta vs tors. theta energy: -256.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2809.692056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.692056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.692056 (E_RNA) where: Base-Base interactions energy: -1977.208 where: short stacking energy: -816.605 Base-Backbone interact. energy: 2.330 local terms energy: -834.814218 where: bonds (distance) C4'-P energy: -146.511 bonds (distance) P-C4' energy: -155.365 flat angles C4'-P-C4' energy: -178.780 flat angles P-C4'-P energy: -126.380 tors. eta vs tors. theta energy: -227.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2630.096108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.096108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.096108 (E_RNA) where: Base-Base interactions energy: -1830.572 where: short stacking energy: -769.956 Base-Backbone interact. energy: -2.684 local terms energy: -796.839994 where: bonds (distance) C4'-P energy: -156.243 bonds (distance) P-C4' energy: -153.063 flat angles C4'-P-C4' energy: -168.336 flat angles P-C4'-P energy: -114.483 tors. eta vs tors. theta energy: -204.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2488.772182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.772182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.772182 (E_RNA) where: Base-Base interactions energy: -1682.023 where: short stacking energy: -754.144 Base-Backbone interact. energy: -3.371 local terms energy: -803.378336 where: bonds (distance) C4'-P energy: -134.492 bonds (distance) P-C4' energy: -172.599 flat angles C4'-P-C4' energy: -176.505 flat angles P-C4'-P energy: -98.833 tors. eta vs tors. theta energy: -220.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2333.527919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.527919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.527919 (E_RNA) where: Base-Base interactions energy: -1588.473 where: short stacking energy: -709.805 Base-Backbone interact. energy: -1.257 local terms energy: -743.797744 where: bonds (distance) C4'-P energy: -142.781 bonds (distance) P-C4' energy: -149.673 flat angles C4'-P-C4' energy: -158.070 flat angles P-C4'-P energy: -107.515 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: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1929.302257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.302257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.302257 (E_RNA) where: Base-Base interactions energy: -1280.429 where: short stacking energy: -552.708 Base-Backbone interact. energy: -3.791 local terms energy: -645.082418 where: bonds (distance) C4'-P energy: -140.704 bonds (distance) P-C4' energy: -138.582 flat angles C4'-P-C4' energy: -145.078 flat angles P-C4'-P energy: -99.358 tors. eta vs tors. theta energy: -121.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1615.879584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.879584 (E_RNA) where: Base-Base interactions energy: -1054.863 where: short stacking energy: -478.301 Base-Backbone interact. energy: 0.821 local terms energy: -561.837422 where: bonds (distance) C4'-P energy: -110.962 bonds (distance) P-C4' energy: -144.991 flat angles C4'-P-C4' energy: -134.242 flat angles P-C4'-P energy: -96.749 tors. eta vs tors. theta energy: -74.894 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: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1528.388982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.388982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.388982 (E_RNA) where: Base-Base interactions energy: -997.413 where: short stacking energy: -456.124 Base-Backbone interact. energy: 6.623 local terms energy: -537.599733 where: bonds (distance) C4'-P energy: -114.176 bonds (distance) P-C4' energy: -140.352 flat angles C4'-P-C4' energy: -119.733 flat angles P-C4'-P energy: -82.995 tors. eta vs tors. theta energy: -80.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1373.617024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.617024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.617024 (E_RNA) where: Base-Base interactions energy: -868.323 where: short stacking energy: -386.710 Base-Backbone interact. energy: -4.341 local terms energy: -500.953139 where: bonds (distance) C4'-P energy: -142.822 bonds (distance) P-C4' energy: -123.197 flat angles C4'-P-C4' energy: -119.868 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -48.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3045.386611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.386611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.386611 (E_RNA) where: Base-Base interactions energy: -2141.096 where: short stacking energy: -871.460 Base-Backbone interact. energy: -0.898 local terms energy: -903.392696 where: bonds (distance) C4'-P energy: -152.765 bonds (distance) P-C4' energy: -173.829 flat angles C4'-P-C4' energy: -189.643 flat angles P-C4'-P energy: -140.722 tors. eta vs tors. theta energy: -246.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -2967.402425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.402425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.402425 (E_RNA) where: Base-Base interactions energy: -2061.224 where: short stacking energy: -899.339 Base-Backbone interact. energy: -2.451 local terms energy: -903.727346 where: bonds (distance) C4'-P energy: -170.486 bonds (distance) P-C4' energy: -166.330 flat angles C4'-P-C4' energy: -192.547 flat angles P-C4'-P energy: -113.274 tors. eta vs tors. theta energy: -261.091 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: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2832.940380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.940380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.940380 (E_RNA) where: Base-Base interactions energy: -1990.116 where: short stacking energy: -839.799 Base-Backbone interact. energy: -7.957 local terms energy: -834.867566 where: bonds (distance) C4'-P energy: -161.193 bonds (distance) P-C4' energy: -146.302 flat angles C4'-P-C4' energy: -188.119 flat angles P-C4'-P energy: -105.356 tors. eta vs tors. theta energy: -233.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2621.373880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.373880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.373880 (E_RNA) where: Base-Base interactions energy: -1808.660 where: short stacking energy: -788.159 Base-Backbone interact. energy: -1.053 local terms energy: -811.660723 where: bonds (distance) C4'-P energy: -140.563 bonds (distance) P-C4' energy: -175.989 flat angles C4'-P-C4' energy: -181.442 flat angles P-C4'-P energy: -111.186 tors. eta vs tors. theta energy: -202.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2483.459985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.459985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.459985 (E_RNA) where: Base-Base interactions energy: -1699.507 where: short stacking energy: -756.083 Base-Backbone interact. energy: -0.776 local terms energy: -783.176900 where: bonds (distance) C4'-P energy: -148.513 bonds (distance) P-C4' energy: -137.546 flat angles C4'-P-C4' energy: -164.091 flat angles P-C4'-P energy: -118.619 tors. eta vs tors. theta energy: -214.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2362.858778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.858778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.858778 (E_RNA) where: Base-Base interactions energy: -1630.341 where: short stacking energy: -745.204 Base-Backbone interact. energy: -5.058 local terms energy: -727.459367 where: bonds (distance) C4'-P energy: -121.732 bonds (distance) P-C4' energy: -131.847 flat angles C4'-P-C4' energy: -164.389 flat angles P-C4'-P energy: -109.818 tors. eta vs tors. theta energy: -199.673 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: 336 Temperature: 1.200000 Total energy: -1937.735401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.735401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.735401 (E_RNA) where: Base-Base interactions energy: -1278.128 where: short stacking energy: -562.800 Base-Backbone interact. energy: 8.788 local terms energy: -668.394474 where: bonds (distance) C4'-P energy: -145.418 bonds (distance) P-C4' energy: -145.306 flat angles C4'-P-C4' energy: -158.545 flat angles P-C4'-P energy: -83.509 tors. eta vs tors. theta energy: -135.618 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: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1634.609611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.609611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.609611 (E_RNA) where: Base-Base interactions energy: -1050.064 where: short stacking energy: -488.970 Base-Backbone interact. energy: -1.660 local terms energy: -582.885863 where: bonds (distance) C4'-P energy: -127.227 bonds (distance) P-C4' energy: -141.550 flat angles C4'-P-C4' energy: -121.486 flat angles P-C4'-P energy: -94.306 tors. eta vs tors. theta energy: -98.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1453.166118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.166118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.166118 (E_RNA) where: Base-Base interactions energy: -957.396 where: short stacking energy: -406.925 Base-Backbone interact. energy: 0.636 local terms energy: -496.406323 where: bonds (distance) C4'-P energy: -97.448 bonds (distance) P-C4' energy: -135.957 flat angles C4'-P-C4' energy: -131.259 flat angles P-C4'-P energy: -77.832 tors. eta vs tors. theta energy: -53.911 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: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1417.251506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.251506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.251506 (E_RNA) where: Base-Base interactions energy: -911.761 where: short stacking energy: -413.704 Base-Backbone interact. energy: 12.639 local terms energy: -518.130023 where: bonds (distance) C4'-P energy: -135.187 bonds (distance) P-C4' energy: -130.165 flat angles C4'-P-C4' energy: -131.718 flat angles P-C4'-P energy: -69.871 tors. eta vs tors. theta energy: -51.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3056.146369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.146369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.146369 (E_RNA) where: Base-Base interactions energy: -2165.975 where: short stacking energy: -886.253 Base-Backbone interact. energy: -1.175 local terms energy: -888.995912 where: bonds (distance) C4'-P energy: -166.746 bonds (distance) P-C4' energy: -163.163 flat angles C4'-P-C4' energy: -189.198 flat angles P-C4'-P energy: -126.482 tors. eta vs tors. theta energy: -243.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -2960.594668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.594668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.594668 (E_RNA) where: Base-Base interactions energy: -2066.633 where: short stacking energy: -913.534 Base-Backbone interact. energy: -1.547 local terms energy: -892.415174 where: bonds (distance) C4'-P energy: -148.644 bonds (distance) P-C4' energy: -158.175 flat angles C4'-P-C4' energy: -189.923 flat angles P-C4'-P energy: -132.567 tors. eta vs tors. theta energy: -263.106 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: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2823.136828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.136828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.136828 (E_RNA) where: Base-Base interactions energy: -1978.730 where: short stacking energy: -846.503 Base-Backbone interact. energy: -2.355 local terms energy: -842.051940 where: bonds (distance) C4'-P energy: -149.139 bonds (distance) P-C4' energy: -156.190 flat angles C4'-P-C4' energy: -180.081 flat angles P-C4'-P energy: -112.727 tors. eta vs tors. theta energy: -243.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2627.754936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.754936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.754936 (E_RNA) where: Base-Base interactions energy: -1844.882 where: short stacking energy: -804.473 Base-Backbone interact. energy: -3.035 local terms energy: -779.838254 where: bonds (distance) C4'-P energy: -151.996 bonds (distance) P-C4' energy: -147.265 flat angles C4'-P-C4' energy: -164.685 flat angles P-C4'-P energy: -103.432 tors. eta vs tors. theta energy: -212.461 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: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2505.487716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.487716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.487716 (E_RNA) where: Base-Base interactions energy: -1728.951 where: short stacking energy: -767.824 Base-Backbone interact. energy: -3.594 local terms energy: -772.942239 where: bonds (distance) C4'-P energy: -126.373 bonds (distance) P-C4' energy: -140.887 flat angles C4'-P-C4' energy: -170.096 flat angles P-C4'-P energy: -111.340 tors. eta vs tors. theta energy: -224.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2282.783425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.783425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.783425 (E_RNA) where: Base-Base interactions energy: -1553.844 where: short stacking energy: -659.838 Base-Backbone interact. energy: 0.515 local terms energy: -729.454034 where: bonds (distance) C4'-P energy: -150.028 bonds (distance) P-C4' energy: -119.967 flat angles C4'-P-C4' energy: -177.233 flat angles P-C4'-P energy: -111.765 tors. eta vs tors. theta energy: -170.461 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: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1969.951103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.951103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.951103 (E_RNA) where: Base-Base interactions energy: -1310.943 where: short stacking energy: -563.458 Base-Backbone interact. energy: 2.894 local terms energy: -661.901810 where: bonds (distance) C4'-P energy: -150.293 bonds (distance) P-C4' energy: -157.535 flat angles C4'-P-C4' energy: -140.770 flat angles P-C4'-P energy: -83.522 tors. eta vs tors. theta energy: -129.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1660.711864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.711864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.711864 (E_RNA) where: Base-Base interactions energy: -1051.170 where: short stacking energy: -468.887 Base-Backbone interact. energy: 1.113 local terms energy: -610.654504 where: bonds (distance) C4'-P energy: -134.563 bonds (distance) P-C4' energy: -150.985 flat angles C4'-P-C4' energy: -146.240 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -95.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1447.817731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.817731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.817731 (E_RNA) where: Base-Base interactions energy: -908.963 where: short stacking energy: -434.873 Base-Backbone interact. energy: 8.621 local terms energy: -547.475454 where: bonds (distance) C4'-P energy: -130.435 bonds (distance) P-C4' energy: -150.983 flat angles C4'-P-C4' energy: -123.048 flat angles P-C4'-P energy: -69.451 tors. eta vs tors. theta energy: -73.558 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: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1403.448963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.448963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.448963 (E_RNA) where: Base-Base interactions energy: -884.177 where: short stacking energy: -404.232 Base-Backbone interact. energy: -0.418 local terms energy: -518.854303 where: bonds (distance) C4'-P energy: -132.751 bonds (distance) P-C4' energy: -130.515 flat angles C4'-P-C4' energy: -119.795 flat angles P-C4'-P energy: -68.523 tors. eta vs tors. theta energy: -67.270 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: 10 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3066.163526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.163526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.163526 (E_RNA) where: Base-Base interactions energy: -2149.244 where: short stacking energy: -886.220 Base-Backbone interact. energy: -0.422 local terms energy: -916.497554 where: bonds (distance) C4'-P energy: -162.947 bonds (distance) P-C4' energy: -177.390 flat angles C4'-P-C4' energy: -194.878 flat angles P-C4'-P energy: -138.503 tors. eta vs tors. theta energy: -242.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -2919.770636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.770636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.770636 (E_RNA) where: Base-Base interactions energy: -2036.158 where: short stacking energy: -890.160 Base-Backbone interact. energy: -2.473 local terms energy: -881.140061 where: bonds (distance) C4'-P energy: -166.555 bonds (distance) P-C4' energy: -152.101 flat angles C4'-P-C4' energy: -178.778 flat angles P-C4'-P energy: -133.578 tors. eta vs tors. theta energy: -250.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -2830.707593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.707593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.707593 (E_RNA) where: Base-Base interactions energy: -1967.910 where: short stacking energy: -875.434 Base-Backbone interact. energy: -2.301 local terms energy: -860.496873 where: bonds (distance) C4'-P energy: -150.986 bonds (distance) P-C4' energy: -154.092 flat angles C4'-P-C4' energy: -182.033 flat angles P-C4'-P energy: -122.986 tors. eta vs tors. theta energy: -250.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2626.177143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.177143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.177143 (E_RNA) where: Base-Base interactions energy: -1796.514 where: short stacking energy: -752.050 Base-Backbone interact. energy: -2.667 local terms energy: -826.996308 where: bonds (distance) C4'-P energy: -155.941 bonds (distance) P-C4' energy: -159.250 flat angles C4'-P-C4' energy: -181.472 flat angles P-C4'-P energy: -120.164 tors. eta vs tors. theta energy: -210.169 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: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2556.223104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.223104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.223104 (E_RNA) where: Base-Base interactions energy: -1741.416 where: short stacking energy: -779.629 Base-Backbone interact. energy: -2.886 local terms energy: -811.921537 where: bonds (distance) C4'-P energy: -148.629 bonds (distance) P-C4' energy: -151.882 flat angles C4'-P-C4' energy: -180.358 flat angles P-C4'-P energy: -113.583 tors. eta vs tors. theta energy: -217.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2340.524006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.524006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.524006 (E_RNA) where: Base-Base interactions energy: -1618.064 where: short stacking energy: -728.963 Base-Backbone interact. energy: -1.847 local terms energy: -720.613854 where: bonds (distance) C4'-P energy: -126.853 bonds (distance) P-C4' energy: -146.158 flat angles C4'-P-C4' energy: -151.954 flat angles P-C4'-P energy: -101.193 tors. eta vs tors. theta energy: -194.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1991.373550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.373550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.373550 (E_RNA) where: Base-Base interactions energy: -1338.541 where: short stacking energy: -598.280 Base-Backbone interact. energy: -1.382 local terms energy: -651.450136 where: bonds (distance) C4'-P energy: -137.153 bonds (distance) P-C4' energy: -144.014 flat angles C4'-P-C4' energy: -152.077 flat angles P-C4'-P energy: -84.390 tors. eta vs tors. theta energy: -133.816 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: 6 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1602.561290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.561290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.561290 (E_RNA) where: Base-Base interactions energy: -1031.366 where: short stacking energy: -450.363 Base-Backbone interact. energy: -1.555 local terms energy: -569.640324 where: bonds (distance) C4'-P energy: -139.559 bonds (distance) P-C4' energy: -130.968 flat angles C4'-P-C4' energy: -137.842 flat angles P-C4'-P energy: -97.664 tors. eta vs tors. theta energy: -63.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1404.902845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.902845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.902845 (E_RNA) where: Base-Base interactions energy: -910.983 where: short stacking energy: -436.142 Base-Backbone interact. energy: 0.141 local terms energy: -494.060837 where: bonds (distance) C4'-P energy: -115.120 bonds (distance) P-C4' energy: -123.068 flat angles C4'-P-C4' energy: -128.690 flat angles P-C4'-P energy: -76.225 tors. eta vs tors. theta energy: -50.958 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: 8 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1391.080088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.080088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.080088 (E_RNA) where: Base-Base interactions energy: -886.880 where: short stacking energy: -388.724 Base-Backbone interact. energy: 4.173 local terms energy: -508.373154 where: bonds (distance) C4'-P energy: -132.327 bonds (distance) P-C4' energy: -110.554 flat angles C4'-P-C4' energy: -151.736 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -69.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3033.858611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.858611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.858611 (E_RNA) where: Base-Base interactions energy: -2120.768 where: short stacking energy: -870.721 Base-Backbone interact. energy: -1.583 local terms energy: -911.507638 where: bonds (distance) C4'-P energy: -157.387 bonds (distance) P-C4' energy: -179.443 flat angles C4'-P-C4' energy: -195.502 flat angles P-C4'-P energy: -129.757 tors. eta vs tors. theta energy: -249.418 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: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -2923.780245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.780245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.780245 (E_RNA) where: Base-Base interactions energy: -2046.459 where: short stacking energy: -894.991 Base-Backbone interact. energy: -2.098 local terms energy: -875.222859 where: bonds (distance) C4'-P energy: -168.968 bonds (distance) P-C4' energy: -155.752 flat angles C4'-P-C4' energy: -180.803 flat angles P-C4'-P energy: -112.603 tors. eta vs tors. theta energy: -257.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2797.775887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.775887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.775887 (E_RNA) where: Base-Base interactions energy: -1923.166 where: short stacking energy: -840.536 Base-Backbone interact. energy: -1.542 local terms energy: -873.067427 where: bonds (distance) C4'-P energy: -162.972 bonds (distance) P-C4' energy: -155.640 flat angles C4'-P-C4' energy: -177.686 flat angles P-C4'-P energy: -139.223 tors. eta vs tors. theta energy: -237.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2617.137774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.137774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.137774 (E_RNA) where: Base-Base interactions energy: -1793.458 where: short stacking energy: -814.630 Base-Backbone interact. energy: -2.045 local terms energy: -821.635505 where: bonds (distance) C4'-P energy: -152.301 bonds (distance) P-C4' energy: -155.478 flat angles C4'-P-C4' energy: -182.910 flat angles P-C4'-P energy: -97.995 tors. eta vs tors. theta energy: -232.951 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: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2572.906341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.906341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.906341 (E_RNA) where: Base-Base interactions energy: -1821.421 where: short stacking energy: -776.018 Base-Backbone interact. energy: 5.243 local terms energy: -756.727939 where: bonds (distance) C4'-P energy: -135.741 bonds (distance) P-C4' energy: -149.748 flat angles C4'-P-C4' energy: -167.502 flat angles P-C4'-P energy: -105.779 tors. eta vs tors. theta energy: -197.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2303.548529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.548529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.548529 (E_RNA) where: Base-Base interactions energy: -1578.207 where: short stacking energy: -675.133 Base-Backbone interact. energy: -1.150 local terms energy: -724.191944 where: bonds (distance) C4'-P energy: -118.460 bonds (distance) P-C4' energy: -157.198 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -104.954 tors. eta vs tors. theta energy: -184.826 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: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1934.996977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.996977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.996977 (E_RNA) where: Base-Base interactions energy: -1291.884 where: short stacking energy: -584.008 Base-Backbone interact. energy: -0.998 local terms energy: -642.114790 where: bonds (distance) C4'-P energy: -141.283 bonds (distance) P-C4' energy: -113.779 flat angles C4'-P-C4' energy: -148.302 flat angles P-C4'-P energy: -83.596 tors. eta vs tors. theta energy: -155.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1541.678786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.678786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.678786 (E_RNA) where: Base-Base interactions energy: -990.084 where: short stacking energy: -458.974 Base-Backbone interact. energy: 1.294 local terms energy: -552.888588 where: bonds (distance) C4'-P energy: -116.430 bonds (distance) P-C4' energy: -139.330 flat angles C4'-P-C4' energy: -134.795 flat angles P-C4'-P energy: -78.629 tors. eta vs tors. theta energy: -83.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1394.402695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.402695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.402695 (E_RNA) where: Base-Base interactions energy: -863.307 where: short stacking energy: -403.291 Base-Backbone interact. energy: 0.821 local terms energy: -531.916495 where: bonds (distance) C4'-P energy: -126.536 bonds (distance) P-C4' energy: -142.219 flat angles C4'-P-C4' energy: -138.483 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -52.486 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: 8 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1350.486688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.486688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.486688 (E_RNA) where: Base-Base interactions energy: -846.001 where: short stacking energy: -381.714 Base-Backbone interact. energy: -6.072 local terms energy: -498.413838 where: bonds (distance) C4'-P energy: -121.370 bonds (distance) P-C4' energy: -140.244 flat angles C4'-P-C4' energy: -120.885 flat angles P-C4'-P energy: -71.365 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: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3043.592100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.592100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.592100 (E_RNA) where: Base-Base interactions energy: -2128.055 where: short stacking energy: -874.033 Base-Backbone interact. energy: -1.265 local terms energy: -914.272346 where: bonds (distance) C4'-P energy: -164.431 bonds (distance) P-C4' energy: -174.205 flat angles C4'-P-C4' energy: -193.219 flat angles P-C4'-P energy: -130.812 tors. eta vs tors. theta energy: -251.605 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: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -2939.281773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.281773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.281773 (E_RNA) where: Base-Base interactions energy: -2050.408 where: short stacking energy: -888.344 Base-Backbone interact. energy: -5.757 local terms energy: -883.117204 where: bonds (distance) C4'-P energy: -157.943 bonds (distance) P-C4' energy: -176.553 flat angles C4'-P-C4' energy: -190.334 flat angles P-C4'-P energy: -114.612 tors. eta vs tors. theta energy: -243.674 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: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2751.166238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.166238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.166238 (E_RNA) where: Base-Base interactions energy: -1894.007 where: short stacking energy: -832.901 Base-Backbone interact. energy: -3.678 local terms energy: -853.480951 where: bonds (distance) C4'-P energy: -144.502 bonds (distance) P-C4' energy: -168.858 flat angles C4'-P-C4' energy: -186.664 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -234.817 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: 2 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2679.314876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.314876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.314876 (E_RNA) where: Base-Base interactions energy: -1828.762 where: short stacking energy: -810.826 Base-Backbone interact. energy: -3.501 local terms energy: -847.051325 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -165.504 flat angles C4'-P-C4' energy: -197.024 flat angles P-C4'-P energy: -117.609 tors. eta vs tors. theta energy: -222.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2561.007036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.007036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.007036 (E_RNA) where: Base-Base interactions energy: -1806.097 where: short stacking energy: -771.747 Base-Backbone interact. energy: -1.029 local terms energy: -753.881143 where: bonds (distance) C4'-P energy: -125.421 bonds (distance) P-C4' energy: -137.618 flat angles C4'-P-C4' energy: -164.788 flat angles P-C4'-P energy: -115.241 tors. eta vs tors. theta energy: -210.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2376.974423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.974423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.974423 (E_RNA) where: Base-Base interactions energy: -1635.347 where: short stacking energy: -727.366 Base-Backbone interact. energy: -0.579 local terms energy: -741.048371 where: bonds (distance) C4'-P energy: -143.354 bonds (distance) P-C4' energy: -125.299 flat angles C4'-P-C4' energy: -162.821 flat angles P-C4'-P energy: -105.029 tors. eta vs tors. theta energy: -204.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1936.009365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.009365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.009365 (E_RNA) where: Base-Base interactions energy: -1317.879 where: short stacking energy: -587.816 Base-Backbone interact. energy: 6.021 local terms energy: -624.151428 where: bonds (distance) C4'-P energy: -162.724 bonds (distance) P-C4' energy: -107.890 flat angles C4'-P-C4' energy: -138.460 flat angles P-C4'-P energy: -79.871 tors. eta vs tors. theta energy: -135.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1487.457444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.457444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.457444 (E_RNA) where: Base-Base interactions energy: -921.547 where: short stacking energy: -464.057 Base-Backbone interact. energy: -2.637 local terms energy: -563.272776 where: bonds (distance) C4'-P energy: -122.192 bonds (distance) P-C4' energy: -122.587 flat angles C4'-P-C4' energy: -143.018 flat angles P-C4'-P energy: -96.857 tors. eta vs tors. theta energy: -78.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1492.334265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.334265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.334265 (E_RNA) where: Base-Base interactions energy: -930.729 where: short stacking energy: -433.087 Base-Backbone interact. energy: 3.639 local terms energy: -565.244460 where: bonds (distance) C4'-P energy: -144.082 bonds (distance) P-C4' energy: -129.235 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -78.753 tors. eta vs tors. theta energy: -71.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1361.068195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.068195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.068195 (E_RNA) where: Base-Base interactions energy: -835.456 where: short stacking energy: -382.822 Base-Backbone interact. energy: -1.297 local terms energy: -524.314387 where: bonds (distance) C4'-P energy: -125.483 bonds (distance) P-C4' energy: -145.660 flat angles C4'-P-C4' energy: -130.663 flat angles P-C4'-P energy: -70.631 tors. eta vs tors. theta energy: -51.877 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: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3019.044717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.044717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.044717 (E_RNA) where: Base-Base interactions energy: -2111.958 where: short stacking energy: -878.189 Base-Backbone interact. energy: -4.644 local terms energy: -902.443212 where: bonds (distance) C4'-P energy: -162.568 bonds (distance) P-C4' energy: -175.269 flat angles C4'-P-C4' energy: -187.820 flat angles P-C4'-P energy: -124.141 tors. eta vs tors. theta energy: -252.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -2873.089546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.089546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.089546 (E_RNA) where: Base-Base interactions energy: -2003.597 where: short stacking energy: -862.739 Base-Backbone interact. energy: -2.732 local terms energy: -866.760455 where: bonds (distance) C4'-P energy: -155.963 bonds (distance) P-C4' energy: -162.294 flat angles C4'-P-C4' energy: -193.505 flat angles P-C4'-P energy: -118.443 tors. eta vs tors. theta energy: -236.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2823.140049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.140049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.140049 (E_RNA) where: Base-Base interactions energy: -1968.415 where: short stacking energy: -831.276 Base-Backbone interact. energy: 0.825 local terms energy: -855.549808 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -155.192 flat angles C4'-P-C4' energy: -181.101 flat angles P-C4'-P energy: -114.850 tors. eta vs tors. theta energy: -239.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2645.224487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.224487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.224487 (E_RNA) where: Base-Base interactions energy: -1821.798 where: short stacking energy: -789.277 Base-Backbone interact. energy: -1.336 local terms energy: -822.090118 where: bonds (distance) C4'-P energy: -156.867 bonds (distance) P-C4' energy: -165.255 flat angles C4'-P-C4' energy: -176.922 flat angles P-C4'-P energy: -115.246 tors. eta vs tors. theta energy: -207.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2525.805570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.805570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.805570 (E_RNA) where: Base-Base interactions energy: -1798.677 where: short stacking energy: -736.419 Base-Backbone interact. energy: -1.047 local terms energy: -726.081215 where: bonds (distance) C4'-P energy: -144.456 bonds (distance) P-C4' energy: -135.554 flat angles C4'-P-C4' energy: -152.434 flat angles P-C4'-P energy: -107.611 tors. eta vs tors. theta energy: -186.026 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: 3 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2407.759272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.759272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.759272 (E_RNA) where: Base-Base interactions energy: -1669.393 where: short stacking energy: -706.985 Base-Backbone interact. energy: -3.275 local terms energy: -735.090895 where: bonds (distance) C4'-P energy: -129.705 bonds (distance) P-C4' energy: -129.580 flat angles C4'-P-C4' energy: -167.446 flat angles P-C4'-P energy: -105.534 tors. eta vs tors. theta energy: -202.825 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: 341 Temperature: 1.200000 Total energy: -1994.791893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.791893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.791893 (E_RNA) where: Base-Base interactions energy: -1364.400 where: short stacking energy: -556.317 Base-Backbone interact. energy: -0.843 local terms energy: -629.548984 where: bonds (distance) C4'-P energy: -142.598 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -147.921 flat angles P-C4'-P energy: -89.614 tors. eta vs tors. theta energy: -119.387 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: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1556.050121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.050121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.050121 (E_RNA) where: Base-Base interactions energy: -953.634 where: short stacking energy: -455.479 Base-Backbone interact. energy: -0.760 local terms energy: -601.655315 where: bonds (distance) C4'-P energy: -128.280 bonds (distance) P-C4' energy: -167.350 flat angles C4'-P-C4' energy: -150.522 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -79.359 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: 9, replica: 6 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1489.291863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.291863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.291863 (E_RNA) where: Base-Base interactions energy: -966.782 where: short stacking energy: -475.679 Base-Backbone interact. energy: -1.807 local terms energy: -520.702084 where: bonds (distance) C4'-P energy: -133.438 bonds (distance) P-C4' energy: -136.097 flat angles C4'-P-C4' energy: -107.155 flat angles P-C4'-P energy: -74.300 tors. eta vs tors. theta energy: -69.713 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: 10, replica: 4 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1355.436242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.436242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.436242 (E_RNA) where: Base-Base interactions energy: -857.817 where: short stacking energy: -366.965 Base-Backbone interact. energy: -0.255 local terms energy: -497.364998 where: bonds (distance) C4'-P energy: -137.161 bonds (distance) P-C4' energy: -132.463 flat angles C4'-P-C4' energy: -107.733 flat angles P-C4'-P energy: -85.535 tors. eta vs tors. theta energy: -34.474 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: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3019.285726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.285726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.285726 (E_RNA) where: Base-Base interactions energy: -2127.517 where: short stacking energy: -856.892 Base-Backbone interact. energy: -2.229 local terms energy: -889.540476 where: bonds (distance) C4'-P energy: -166.527 bonds (distance) P-C4' energy: -164.724 flat angles C4'-P-C4' energy: -187.413 flat angles P-C4'-P energy: -129.476 tors. eta vs tors. theta energy: -241.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -2886.127407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.127407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.127407 (E_RNA) where: Base-Base interactions energy: -2017.177 where: short stacking energy: -876.866 Base-Backbone interact. energy: 1.785 local terms energy: -870.735784 where: bonds (distance) C4'-P energy: -150.381 bonds (distance) P-C4' energy: -156.465 flat angles C4'-P-C4' energy: -186.086 flat angles P-C4'-P energy: -136.639 tors. eta vs tors. theta energy: -241.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2834.321835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.321835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.321835 (E_RNA) where: Base-Base interactions energy: -1966.928 where: short stacking energy: -863.594 Base-Backbone interact. energy: -3.943 local terms energy: -863.450878 where: bonds (distance) C4'-P energy: -160.669 bonds (distance) P-C4' energy: -145.524 flat angles C4'-P-C4' energy: -181.069 flat angles P-C4'-P energy: -119.032 tors. eta vs tors. theta energy: -257.157 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: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2647.684150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.684150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.684150 (E_RNA) where: Base-Base interactions energy: -1839.494 where: short stacking energy: -814.650 Base-Backbone interact. energy: 0.416 local terms energy: -808.606755 where: bonds (distance) C4'-P energy: -150.369 bonds (distance) P-C4' energy: -149.957 flat angles C4'-P-C4' energy: -174.887 flat angles P-C4'-P energy: -115.437 tors. eta vs tors. theta energy: -217.957 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: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2525.528389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.528389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.528389 (E_RNA) where: Base-Base interactions energy: -1734.546 where: short stacking energy: -742.468 Base-Backbone interact. energy: -3.594 local terms energy: -787.388838 where: bonds (distance) C4'-P energy: -144.636 bonds (distance) P-C4' energy: -145.278 flat angles C4'-P-C4' energy: -179.883 flat angles P-C4'-P energy: -107.565 tors. eta vs tors. theta energy: -210.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2400.473238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.473238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.473238 (E_RNA) where: Base-Base interactions energy: -1665.527 where: short stacking energy: -738.670 Base-Backbone interact. energy: -3.058 local terms energy: -731.887647 where: bonds (distance) C4'-P energy: -115.119 bonds (distance) P-C4' energy: -147.353 flat angles C4'-P-C4' energy: -173.478 flat angles P-C4'-P energy: -92.427 tors. eta vs tors. theta energy: -203.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1974.032770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.032770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.032770 (E_RNA) where: Base-Base interactions energy: -1329.977 where: short stacking energy: -566.250 Base-Backbone interact. energy: -2.338 local terms energy: -641.717702 where: bonds (distance) C4'-P energy: -130.573 bonds (distance) P-C4' energy: -149.402 flat angles C4'-P-C4' energy: -154.223 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -115.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1580.400851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.400851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.400851 (E_RNA) where: Base-Base interactions energy: -998.417 where: short stacking energy: -438.647 Base-Backbone interact. energy: 0.064 local terms energy: -582.048573 where: bonds (distance) C4'-P energy: -119.882 bonds (distance) P-C4' energy: -140.853 flat angles C4'-P-C4' energy: -157.222 flat angles P-C4'-P energy: -79.967 tors. eta vs tors. theta energy: -84.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1457.055551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.055551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.055551 (E_RNA) where: Base-Base interactions energy: -942.989 where: short stacking energy: -435.887 Base-Backbone interact. energy: -0.575 local terms energy: -513.492058 where: bonds (distance) C4'-P energy: -138.366 bonds (distance) P-C4' energy: -106.712 flat angles C4'-P-C4' energy: -129.285 flat angles P-C4'-P energy: -77.440 tors. eta vs tors. theta energy: -61.688 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: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1427.829381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.829381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.829381 (E_RNA) where: Base-Base interactions energy: -911.061 where: short stacking energy: -386.084 Base-Backbone interact. energy: 0.193 local terms energy: -516.960797 where: bonds (distance) C4'-P energy: -118.200 bonds (distance) P-C4' energy: -137.678 flat angles C4'-P-C4' energy: -128.591 flat angles P-C4'-P energy: -83.331 tors. eta vs tors. theta energy: -49.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3056.742367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.742367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.742367 (E_RNA) where: Base-Base interactions energy: -2148.503 where: short stacking energy: -890.817 Base-Backbone interact. energy: -5.400 local terms energy: -902.839427 where: bonds (distance) C4'-P energy: -154.899 bonds (distance) P-C4' energy: -166.571 flat angles C4'-P-C4' energy: -191.027 flat angles P-C4'-P energy: -138.695 tors. eta vs tors. theta energy: -251.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -2932.928541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.928541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.928541 (E_RNA) where: Base-Base interactions energy: -2029.547 where: short stacking energy: -886.516 Base-Backbone interact. energy: -4.173 local terms energy: -899.207920 where: bonds (distance) C4'-P energy: -165.719 bonds (distance) P-C4' energy: -164.231 flat angles C4'-P-C4' energy: -192.942 flat angles P-C4'-P energy: -124.942 tors. eta vs tors. theta energy: -251.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2848.156932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.156932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.156932 (E_RNA) where: Base-Base interactions energy: -1979.325 where: short stacking energy: -860.190 Base-Backbone interact. energy: -1.773 local terms energy: -867.059390 where: bonds (distance) C4'-P energy: -148.883 bonds (distance) P-C4' energy: -168.742 flat angles C4'-P-C4' energy: -176.744 flat angles P-C4'-P energy: -129.045 tors. eta vs tors. theta energy: -243.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2652.388047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.388047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.388047 (E_RNA) where: Base-Base interactions energy: -1810.295 where: short stacking energy: -802.396 Base-Backbone interact. energy: -2.399 local terms energy: -839.694103 where: bonds (distance) C4'-P energy: -178.275 bonds (distance) P-C4' energy: -146.648 flat angles C4'-P-C4' energy: -178.043 flat angles P-C4'-P energy: -115.303 tors. eta vs tors. theta energy: -221.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2547.364197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.364197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.364197 (E_RNA) where: Base-Base interactions energy: -1770.929 where: short stacking energy: -730.821 Base-Backbone interact. energy: 4.136 local terms energy: -780.572080 where: bonds (distance) C4'-P energy: -145.584 bonds (distance) P-C4' energy: -151.786 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -115.212 tors. eta vs tors. theta energy: -199.299 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: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2316.802673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.802673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.802673 (E_RNA) where: Base-Base interactions energy: -1577.788 where: short stacking energy: -685.127 Base-Backbone interact. energy: -1.539 local terms energy: -737.476221 where: bonds (distance) C4'-P energy: -127.543 bonds (distance) P-C4' energy: -153.592 flat angles C4'-P-C4' energy: -162.246 flat angles P-C4'-P energy: -108.283 tors. eta vs tors. theta energy: -185.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1964.684113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.684113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.684113 (E_RNA) where: Base-Base interactions energy: -1316.577 where: short stacking energy: -594.367 Base-Backbone interact. energy: 6.872 local terms energy: -654.979151 where: bonds (distance) C4'-P energy: -120.064 bonds (distance) P-C4' energy: -147.470 flat angles C4'-P-C4' energy: -160.180 flat angles P-C4'-P energy: -92.736 tors. eta vs tors. theta energy: -134.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1645.598760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.598760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.598760 (E_RNA) where: Base-Base interactions energy: -1051.710 where: short stacking energy: -482.064 Base-Backbone interact. energy: -2.620 local terms energy: -591.268762 where: bonds (distance) C4'-P energy: -133.533 bonds (distance) P-C4' energy: -151.614 flat angles C4'-P-C4' energy: -133.658 flat angles P-C4'-P energy: -88.062 tors. eta vs tors. theta energy: -84.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1433.634807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.634807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.634807 (E_RNA) where: Base-Base interactions energy: -884.643 where: short stacking energy: -405.578 Base-Backbone interact. energy: 4.604 local terms energy: -553.596163 where: bonds (distance) C4'-P energy: -142.560 bonds (distance) P-C4' energy: -135.126 flat angles C4'-P-C4' energy: -124.439 flat angles P-C4'-P energy: -91.691 tors. eta vs tors. theta energy: -59.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1504.245053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.245053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.245053 (E_RNA) where: Base-Base interactions energy: -969.150 where: short stacking energy: -397.458 Base-Backbone interact. energy: 2.562 local terms energy: -537.656807 where: bonds (distance) C4'-P energy: -130.040 bonds (distance) P-C4' energy: -148.725 flat angles C4'-P-C4' energy: -117.965 flat angles P-C4'-P energy: -73.992 tors. eta vs tors. theta energy: -66.934 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: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3053.075726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.075726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.075726 (E_RNA) where: Base-Base interactions energy: -2144.279 where: short stacking energy: -898.522 Base-Backbone interact. energy: 2.278 local terms energy: -911.075306 where: bonds (distance) C4'-P energy: -160.445 bonds (distance) P-C4' energy: -166.484 flat angles C4'-P-C4' energy: -202.256 flat angles P-C4'-P energy: -131.122 tors. eta vs tors. theta energy: -250.769 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: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -2920.437533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.437533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.437533 (E_RNA) where: Base-Base interactions energy: -2027.466 where: short stacking energy: -872.666 Base-Backbone interact. energy: -4.999 local terms energy: -887.972845 where: bonds (distance) C4'-P energy: -155.186 bonds (distance) P-C4' energy: -153.844 flat angles C4'-P-C4' energy: -207.621 flat angles P-C4'-P energy: -122.667 tors. eta vs tors. theta energy: -248.654 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: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2841.584690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.584690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.584690 (E_RNA) where: Base-Base interactions energy: -1967.675 where: short stacking energy: -856.669 Base-Backbone interact. energy: -1.356 local terms energy: -872.554173 where: bonds (distance) C4'-P energy: -159.821 bonds (distance) P-C4' energy: -164.522 flat angles C4'-P-C4' energy: -192.984 flat angles P-C4'-P energy: -119.809 tors. eta vs tors. theta energy: -235.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2710.196492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.196492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.196492 (E_RNA) where: Base-Base interactions energy: -1858.282 where: short stacking energy: -830.472 Base-Backbone interact. energy: -2.000 local terms energy: -849.914521 where: bonds (distance) C4'-P energy: -155.973 bonds (distance) P-C4' energy: -159.152 flat angles C4'-P-C4' energy: -178.904 flat angles P-C4'-P energy: -127.306 tors. eta vs tors. theta energy: -228.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2526.748166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.748166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.748166 (E_RNA) where: Base-Base interactions energy: -1773.057 where: short stacking energy: -769.004 Base-Backbone interact. energy: -3.626 local terms energy: -750.065805 where: bonds (distance) C4'-P energy: -138.937 bonds (distance) P-C4' energy: -150.443 flat angles C4'-P-C4' energy: -159.934 flat angles P-C4'-P energy: -98.448 tors. eta vs tors. theta energy: -202.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2301.892786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.892786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.892786 (E_RNA) where: Base-Base interactions energy: -1557.904 where: short stacking energy: -678.056 Base-Backbone interact. energy: -2.586 local terms energy: -741.403196 where: bonds (distance) C4'-P energy: -136.149 bonds (distance) P-C4' energy: -148.494 flat angles C4'-P-C4' energy: -161.833 flat angles P-C4'-P energy: -111.487 tors. eta vs tors. theta energy: -183.440 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: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1960.985531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.985531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.985531 (E_RNA) where: Base-Base interactions energy: -1343.047 where: short stacking energy: -547.922 Base-Backbone interact. energy: -0.068 local terms energy: -617.870536 where: bonds (distance) C4'-P energy: -123.886 bonds (distance) P-C4' energy: -130.088 flat angles C4'-P-C4' energy: -154.873 flat angles P-C4'-P energy: -95.838 tors. eta vs tors. theta energy: -113.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1659.083007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.083007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.083007 (E_RNA) where: Base-Base interactions energy: -1086.246 where: short stacking energy: -490.697 Base-Backbone interact. energy: -1.778 local terms energy: -571.059066 where: bonds (distance) C4'-P energy: -151.073 bonds (distance) P-C4' energy: -124.054 flat angles C4'-P-C4' energy: -133.281 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -85.104 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1678.922557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.922557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.922557 (E_RNA) where: Base-Base interactions energy: -1124.494 where: short stacking energy: -478.409 Base-Backbone interact. energy: 3.071 local terms energy: -557.499763 where: bonds (distance) C4'-P energy: -117.168 bonds (distance) P-C4' energy: -136.543 flat angles C4'-P-C4' energy: -130.462 flat angles P-C4'-P energy: -86.031 tors. eta vs tors. theta energy: -87.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1312.953645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.953645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.953645 (E_RNA) where: Base-Base interactions energy: -827.049 where: short stacking energy: -392.850 Base-Backbone interact. energy: -2.067 local terms energy: -483.836987 where: bonds (distance) C4'-P energy: -113.237 bonds (distance) P-C4' energy: -122.672 flat angles C4'-P-C4' energy: -129.400 flat angles P-C4'-P energy: -62.860 tors. eta vs tors. theta energy: -55.668 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: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3039.014177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.014177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.014177 (E_RNA) where: Base-Base interactions energy: -2139.742 where: short stacking energy: -909.644 Base-Backbone interact. energy: -6.620 local terms energy: -892.651875 where: bonds (distance) C4'-P energy: -148.187 bonds (distance) P-C4' energy: -171.745 flat angles C4'-P-C4' energy: -185.578 flat angles P-C4'-P energy: -135.161 tors. eta vs tors. theta energy: -251.981 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: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -2916.589957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.589957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.589957 (E_RNA) where: Base-Base interactions energy: -2061.352 where: short stacking energy: -900.005 Base-Backbone interact. energy: -3.049 local terms energy: -852.189144 where: bonds (distance) C4'-P energy: -170.462 bonds (distance) P-C4' energy: -154.694 flat angles C4'-P-C4' energy: -172.447 flat angles P-C4'-P energy: -115.810 tors. eta vs tors. theta energy: -238.776 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: 345 Temperature: 1.000000 Total energy: -2868.686987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.686987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.686987 (E_RNA) where: Base-Base interactions energy: -2000.307 where: short stacking energy: -864.981 Base-Backbone interact. energy: -1.036 local terms energy: -867.343936 where: bonds (distance) C4'-P energy: -161.165 bonds (distance) P-C4' energy: -156.241 flat angles C4'-P-C4' energy: -175.205 flat angles P-C4'-P energy: -126.745 tors. eta vs tors. theta energy: -247.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2690.064659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.064659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.064659 (E_RNA) where: Base-Base interactions energy: -1907.982 where: short stacking energy: -817.768 Base-Backbone interact. energy: -0.129 local terms energy: -781.953655 where: bonds (distance) C4'-P energy: -126.084 bonds (distance) P-C4' energy: -151.759 flat angles C4'-P-C4' energy: -175.198 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -220.767 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: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2516.006556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.006556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.006556 (E_RNA) where: Base-Base interactions energy: -1747.167 where: short stacking energy: -773.989 Base-Backbone interact. energy: -1.116 local terms energy: -767.722671 where: bonds (distance) C4'-P energy: -145.889 bonds (distance) P-C4' energy: -150.038 flat angles C4'-P-C4' energy: -164.231 flat angles P-C4'-P energy: -100.775 tors. eta vs tors. theta energy: -206.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2445.598326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.598326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.598326 (E_RNA) where: Base-Base interactions energy: -1659.581 where: short stacking energy: -729.597 Base-Backbone interact. energy: 4.220 local terms energy: -790.237669 where: bonds (distance) C4'-P energy: -154.151 bonds (distance) P-C4' energy: -150.077 flat angles C4'-P-C4' energy: -175.145 flat angles P-C4'-P energy: -105.865 tors. eta vs tors. theta energy: -205.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1906.189497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.189497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.189497 (E_RNA) where: Base-Base interactions energy: -1316.510 where: short stacking energy: -584.297 Base-Backbone interact. energy: -0.146 local terms energy: -589.532702 where: bonds (distance) C4'-P energy: -131.935 bonds (distance) P-C4' energy: -125.904 flat angles C4'-P-C4' energy: -151.650 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: -109.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1692.381102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.381102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.381102 (E_RNA) where: Base-Base interactions energy: -1121.297 where: short stacking energy: -491.704 Base-Backbone interact. energy: -1.711 local terms energy: -569.373822 where: bonds (distance) C4'-P energy: -125.928 bonds (distance) P-C4' energy: -142.179 flat angles C4'-P-C4' energy: -151.775 flat angles P-C4'-P energy: -62.802 tors. eta vs tors. theta energy: -86.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1675.223308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.223308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.223308 (E_RNA) where: Base-Base interactions energy: -1118.857 where: short stacking energy: -497.511 Base-Backbone interact. energy: -2.926 local terms energy: -553.441054 where: bonds (distance) C4'-P energy: -145.249 bonds (distance) P-C4' energy: -102.142 flat angles C4'-P-C4' energy: -140.318 flat angles P-C4'-P energy: -71.249 tors. eta vs tors. theta energy: -94.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1291.559343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.559343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.559343 (E_RNA) where: Base-Base interactions energy: -769.223 where: short stacking energy: -344.470 Base-Backbone interact. energy: 0.482 local terms energy: -522.818305 where: bonds (distance) C4'-P energy: -137.813 bonds (distance) P-C4' energy: -120.281 flat angles C4'-P-C4' energy: -153.665 flat angles P-C4'-P energy: -63.118 tors. eta vs tors. theta energy: -47.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3029.558429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.558429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.558429 (E_RNA) where: Base-Base interactions energy: -2125.854 where: short stacking energy: -909.603 Base-Backbone interact. energy: -2.484 local terms energy: -901.220312 where: bonds (distance) C4'-P energy: -164.311 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -191.113 flat angles P-C4'-P energy: -133.847 tors. eta vs tors. theta energy: -249.856 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: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -2905.941921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.941921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.941921 (E_RNA) where: Base-Base interactions energy: -1994.918 where: short stacking energy: -867.493 Base-Backbone interact. energy: -3.997 local terms energy: -907.026991 where: bonds (distance) C4'-P energy: -153.634 bonds (distance) P-C4' energy: -177.285 flat angles C4'-P-C4' energy: -186.019 flat angles P-C4'-P energy: -140.080 tors. eta vs tors. theta energy: -250.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -2843.917419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.917419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.917419 (E_RNA) where: Base-Base interactions energy: -2014.209 where: short stacking energy: -879.181 Base-Backbone interact. energy: 0.649 local terms energy: -830.357832 where: bonds (distance) C4'-P energy: -134.445 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -177.952 flat angles P-C4'-P energy: -116.357 tors. eta vs tors. theta energy: -246.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2710.811925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.811925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.811925 (E_RNA) where: Base-Base interactions energy: -1886.460 where: short stacking energy: -796.852 Base-Backbone interact. energy: 0.398 local terms energy: -824.749932 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -148.067 flat angles C4'-P-C4' energy: -189.851 flat angles P-C4'-P energy: -108.666 tors. eta vs tors. theta energy: -229.186 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: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2564.803516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.803516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.803516 (E_RNA) where: Base-Base interactions energy: -1737.140 where: short stacking energy: -763.639 Base-Backbone interact. energy: -3.204 local terms energy: -824.459609 where: bonds (distance) C4'-P energy: -140.051 bonds (distance) P-C4' energy: -149.430 flat angles C4'-P-C4' energy: -181.820 flat angles P-C4'-P energy: -128.269 tors. eta vs tors. theta energy: -224.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2374.528895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.528895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.528895 (E_RNA) where: Base-Base interactions energy: -1655.462 where: short stacking energy: -684.924 Base-Backbone interact. energy: 3.390 local terms energy: -722.456452 where: bonds (distance) C4'-P energy: -129.520 bonds (distance) P-C4' energy: -136.388 flat angles C4'-P-C4' energy: -169.773 flat angles P-C4'-P energy: -119.154 tors. eta vs tors. theta energy: -167.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1858.538109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.538109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.538109 (E_RNA) where: Base-Base interactions energy: -1208.953 where: short stacking energy: -524.745 Base-Backbone interact. energy: 2.518 local terms energy: -652.103673 where: bonds (distance) C4'-P energy: -143.884 bonds (distance) P-C4' energy: -160.934 flat angles C4'-P-C4' energy: -159.993 flat angles P-C4'-P energy: -86.521 tors. eta vs tors. theta energy: -100.771 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: 346 Temperature: 1.250000 Total energy: -1619.922866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.922866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.922866 (E_RNA) where: Base-Base interactions energy: -1036.747 where: short stacking energy: -478.880 Base-Backbone interact. energy: 1.698 local terms energy: -584.873682 where: bonds (distance) C4'-P energy: -141.419 bonds (distance) P-C4' energy: -144.983 flat angles C4'-P-C4' energy: -128.999 flat angles P-C4'-P energy: -82.739 tors. eta vs tors. theta energy: -86.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1706.260776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.260776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.260776 (E_RNA) where: Base-Base interactions energy: -1117.696 where: short stacking energy: -506.143 Base-Backbone interact. energy: -0.169 local terms energy: -588.395760 where: bonds (distance) C4'-P energy: -111.738 bonds (distance) P-C4' energy: -133.902 flat angles C4'-P-C4' energy: -138.219 flat angles P-C4'-P energy: -103.852 tors. eta vs tors. theta energy: -100.684 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: 4 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1278.032543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.032543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.032543 (E_RNA) where: Base-Base interactions energy: -785.034 where: short stacking energy: -371.533 Base-Backbone interact. energy: -1.503 local terms energy: -491.495797 where: bonds (distance) C4'-P energy: -133.421 bonds (distance) P-C4' energy: -143.318 flat angles C4'-P-C4' energy: -102.520 flat angles P-C4'-P energy: -83.837 tors. eta vs tors. theta energy: -28.401 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: 10 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3023.823426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.823426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.823426 (E_RNA) where: Base-Base interactions energy: -2132.820 where: short stacking energy: -883.310 Base-Backbone interact. energy: -2.986 local terms energy: -888.017878 where: bonds (distance) C4'-P energy: -171.232 bonds (distance) P-C4' energy: -166.782 flat angles C4'-P-C4' energy: -176.935 flat angles P-C4'-P energy: -127.398 tors. eta vs tors. theta energy: -245.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -2938.281543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.281543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.281543 (E_RNA) where: Base-Base interactions energy: -2044.387 where: short stacking energy: -896.397 Base-Backbone interact. energy: -1.631 local terms energy: -892.263475 where: bonds (distance) C4'-P energy: -172.209 bonds (distance) P-C4' energy: -161.209 flat angles C4'-P-C4' energy: -179.040 flat angles P-C4'-P energy: -126.668 tors. eta vs tors. theta energy: -253.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -2876.627526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.627526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.627526 (E_RNA) where: Base-Base interactions energy: -2010.569 where: short stacking energy: -874.182 Base-Backbone interact. energy: 3.183 local terms energy: -869.241340 where: bonds (distance) C4'-P energy: -161.448 bonds (distance) P-C4' energy: -166.271 flat angles C4'-P-C4' energy: -172.721 flat angles P-C4'-P energy: -114.395 tors. eta vs tors. theta energy: -254.406 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: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2688.249423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.249423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.249423 (E_RNA) where: Base-Base interactions energy: -1857.882 where: short stacking energy: -809.895 Base-Backbone interact. energy: -0.848 local terms energy: -829.519275 where: bonds (distance) C4'-P energy: -143.239 bonds (distance) P-C4' energy: -155.426 flat angles C4'-P-C4' energy: -182.930 flat angles P-C4'-P energy: -118.245 tors. eta vs tors. theta energy: -229.680 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: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2537.562378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.562378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.562378 (E_RNA) where: Base-Base interactions energy: -1741.824 where: short stacking energy: -754.935 Base-Backbone interact. energy: -0.383 local terms energy: -795.355698 where: bonds (distance) C4'-P energy: -149.013 bonds (distance) P-C4' energy: -155.190 flat angles C4'-P-C4' energy: -172.816 flat angles P-C4'-P energy: -113.343 tors. eta vs tors. theta energy: -204.994 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: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2413.427662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.427662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.427662 (E_RNA) where: Base-Base interactions energy: -1681.955 where: short stacking energy: -698.405 Base-Backbone interact. energy: 0.231 local terms energy: -731.703352 where: bonds (distance) C4'-P energy: -153.594 bonds (distance) P-C4' energy: -145.165 flat angles C4'-P-C4' energy: -152.493 flat angles P-C4'-P energy: -102.417 tors. eta vs tors. theta energy: -178.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1833.511446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.511446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.511446 (E_RNA) where: Base-Base interactions energy: -1224.382 where: short stacking energy: -529.538 Base-Backbone interact. energy: -1.729 local terms energy: -607.400174 where: bonds (distance) C4'-P energy: -141.495 bonds (distance) P-C4' energy: -136.740 flat angles C4'-P-C4' energy: -134.769 flat angles P-C4'-P energy: -84.169 tors. eta vs tors. theta energy: -110.226 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: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1804.893839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.893839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.893839 (E_RNA) where: Base-Base interactions energy: -1195.686 where: short stacking energy: -531.885 Base-Backbone interact. energy: -2.313 local terms energy: -606.894982 where: bonds (distance) C4'-P energy: -132.878 bonds (distance) P-C4' energy: -123.765 flat angles C4'-P-C4' energy: -152.325 flat angles P-C4'-P energy: -87.664 tors. eta vs tors. theta energy: -110.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1490.716431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.716431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.716431 (E_RNA) where: Base-Base interactions energy: -948.343 where: short stacking energy: -434.838 Base-Backbone interact. energy: -0.895 local terms energy: -541.478932 where: bonds (distance) C4'-P energy: -133.337 bonds (distance) P-C4' energy: -154.171 flat angles C4'-P-C4' energy: -121.910 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -70.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1377.301053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.301053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.301053 (E_RNA) where: Base-Base interactions energy: -852.571 where: short stacking energy: -402.478 Base-Backbone interact. energy: 3.560 local terms energy: -528.290027 where: bonds (distance) C4'-P energy: -127.598 bonds (distance) P-C4' energy: -149.120 flat angles C4'-P-C4' energy: -125.444 flat angles P-C4'-P energy: -74.294 tors. eta vs tors. theta energy: -51.834 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: 1, replica: 10 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3026.487261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.487261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.487261 (E_RNA) where: Base-Base interactions energy: -2131.112 where: short stacking energy: -850.690 Base-Backbone interact. energy: -0.994 local terms energy: -894.381463 where: bonds (distance) C4'-P energy: -166.505 bonds (distance) P-C4' energy: -171.218 flat angles C4'-P-C4' energy: -183.996 flat angles P-C4'-P energy: -129.973 tors. eta vs tors. theta energy: -242.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -2898.684019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.684019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.684019 (E_RNA) where: Base-Base interactions energy: -2004.494 where: short stacking energy: -868.973 Base-Backbone interact. energy: -2.703 local terms energy: -891.486175 where: bonds (distance) C4'-P energy: -167.453 bonds (distance) P-C4' energy: -164.897 flat angles C4'-P-C4' energy: -186.476 flat angles P-C4'-P energy: -124.739 tors. eta vs tors. theta energy: -247.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -2846.109917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.109917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.109917 (E_RNA) where: Base-Base interactions energy: -1967.247 where: short stacking energy: -873.829 Base-Backbone interact. energy: -2.646 local terms energy: -876.216955 where: bonds (distance) C4'-P energy: -138.638 bonds (distance) P-C4' energy: -151.400 flat angles C4'-P-C4' energy: -199.870 flat angles P-C4'-P energy: -129.305 tors. eta vs tors. theta energy: -257.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2711.591546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.591546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.591546 (E_RNA) where: Base-Base interactions energy: -1889.777 where: short stacking energy: -808.325 Base-Backbone interact. energy: 4.665 local terms energy: -826.480256 where: bonds (distance) C4'-P energy: -151.362 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -175.492 flat angles P-C4'-P energy: -112.899 tors. eta vs tors. theta energy: -233.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2538.776473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.776473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.776473 (E_RNA) where: Base-Base interactions energy: -1771.993 where: short stacking energy: -789.132 Base-Backbone interact. energy: 1.030 local terms energy: -767.813168 where: bonds (distance) C4'-P energy: -127.453 bonds (distance) P-C4' energy: -132.290 flat angles C4'-P-C4' energy: -174.283 flat angles P-C4'-P energy: -105.736 tors. eta vs tors. theta energy: -228.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2414.947770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.947770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.947770 (E_RNA) where: Base-Base interactions energy: -1667.494 where: short stacking energy: -706.901 Base-Backbone interact. energy: -4.496 local terms energy: -742.958228 where: bonds (distance) C4'-P energy: -133.932 bonds (distance) P-C4' energy: -151.675 flat angles C4'-P-C4' energy: -165.390 flat angles P-C4'-P energy: -106.459 tors. eta vs tors. theta energy: -185.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1892.630309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.630309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.630309 (E_RNA) where: Base-Base interactions energy: -1263.747 where: short stacking energy: -566.131 Base-Backbone interact. energy: 2.754 local terms energy: -631.637913 where: bonds (distance) C4'-P energy: -125.493 bonds (distance) P-C4' energy: -136.563 flat angles C4'-P-C4' energy: -146.991 flat angles P-C4'-P energy: -98.225 tors. eta vs tors. theta energy: -124.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1716.105062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.105062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.105062 (E_RNA) where: Base-Base interactions energy: -1149.093 where: short stacking energy: -493.472 Base-Backbone interact. energy: 0.506 local terms energy: -567.517836 where: bonds (distance) C4'-P energy: -138.763 bonds (distance) P-C4' energy: -139.913 flat angles C4'-P-C4' energy: -135.399 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: -80.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1467.249772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.249772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.249772 (E_RNA) where: Base-Base interactions energy: -937.331 where: short stacking energy: -427.703 Base-Backbone interact. energy: -0.651 local terms energy: -529.268512 where: bonds (distance) C4'-P energy: -120.855 bonds (distance) P-C4' energy: -132.421 flat angles C4'-P-C4' energy: -139.522 flat angles P-C4'-P energy: -78.328 tors. eta vs tors. theta energy: -58.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1322.742327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.742327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.742327 (E_RNA) where: Base-Base interactions energy: -831.225 where: short stacking energy: -381.547 Base-Backbone interact. energy: 5.951 local terms energy: -497.468909 where: bonds (distance) C4'-P energy: -143.854 bonds (distance) P-C4' energy: -142.451 flat angles C4'-P-C4' energy: -113.877 flat angles P-C4'-P energy: -62.321 tors. eta vs tors. theta energy: -34.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3017.766050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.766050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.766050 (E_RNA) where: Base-Base interactions energy: -2126.599 where: short stacking energy: -860.849 Base-Backbone interact. energy: 0.731 local terms energy: -891.898870 where: bonds (distance) C4'-P energy: -173.239 bonds (distance) P-C4' energy: -168.814 flat angles C4'-P-C4' energy: -195.133 flat angles P-C4'-P energy: -118.551 tors. eta vs tors. theta energy: -236.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -2933.489111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.489111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.489111 (E_RNA) where: Base-Base interactions energy: -2061.752 where: short stacking energy: -897.979 Base-Backbone interact. energy: -3.471 local terms energy: -868.266139 where: bonds (distance) C4'-P energy: -155.350 bonds (distance) P-C4' energy: -171.732 flat angles C4'-P-C4' energy: -182.832 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -241.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -2883.625902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.625902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.625902 (E_RNA) where: Base-Base interactions energy: -1986.664 where: short stacking energy: -878.296 Base-Backbone interact. energy: 1.807 local terms energy: -898.769485 where: bonds (distance) C4'-P energy: -144.182 bonds (distance) P-C4' energy: -166.801 flat angles C4'-P-C4' energy: -198.952 flat angles P-C4'-P energy: -128.582 tors. eta vs tors. theta energy: -260.253 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: 2 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2734.755471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.755471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.755471 (E_RNA) where: Base-Base interactions energy: -1892.038 where: short stacking energy: -793.088 Base-Backbone interact. energy: -2.497 local terms energy: -840.220842 where: bonds (distance) C4'-P energy: -158.165 bonds (distance) P-C4' energy: -143.792 flat angles C4'-P-C4' energy: -185.249 flat angles P-C4'-P energy: -123.641 tors. eta vs tors. theta energy: -229.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2490.242444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.242444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.242444 (E_RNA) where: Base-Base interactions energy: -1745.226 where: short stacking energy: -742.941 Base-Backbone interact. energy: 1.648 local terms energy: -746.664685 where: bonds (distance) C4'-P energy: -144.939 bonds (distance) P-C4' energy: -158.060 flat angles C4'-P-C4' energy: -156.288 flat angles P-C4'-P energy: -93.881 tors. eta vs tors. theta energy: -193.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2389.689330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.689330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.689330 (E_RNA) where: Base-Base interactions energy: -1664.979 where: short stacking energy: -703.964 Base-Backbone interact. energy: -8.401 local terms energy: -716.309403 where: bonds (distance) C4'-P energy: -143.423 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -170.852 flat angles P-C4'-P energy: -110.140 tors. eta vs tors. theta energy: -170.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1924.822986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.822986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.822986 (E_RNA) where: Base-Base interactions energy: -1285.194 where: short stacking energy: -542.546 Base-Backbone interact. energy: -4.799 local terms energy: -634.829648 where: bonds (distance) C4'-P energy: -147.823 bonds (distance) P-C4' energy: -143.361 flat angles C4'-P-C4' energy: -145.395 flat angles P-C4'-P energy: -89.130 tors. eta vs tors. theta energy: -109.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1760.460955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.460955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.460955 (E_RNA) where: Base-Base interactions energy: -1169.894 where: short stacking energy: -510.339 Base-Backbone interact. energy: 1.151 local terms energy: -591.717968 where: bonds (distance) C4'-P energy: -112.306 bonds (distance) P-C4' energy: -135.185 flat angles C4'-P-C4' energy: -156.850 flat angles P-C4'-P energy: -92.233 tors. eta vs tors. theta energy: -95.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1477.071884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.071884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.071884 (E_RNA) where: Base-Base interactions energy: -918.121 where: short stacking energy: -470.140 Base-Backbone interact. energy: -1.763 local terms energy: -557.186982 where: bonds (distance) C4'-P energy: -93.129 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -137.804 flat angles P-C4'-P energy: -91.103 tors. eta vs tors. theta energy: -80.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1265.350889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.350889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.350889 (E_RNA) where: Base-Base interactions energy: -786.731 where: short stacking energy: -340.372 Base-Backbone interact. energy: -2.328 local terms energy: -476.292143 where: bonds (distance) C4'-P energy: -131.139 bonds (distance) P-C4' energy: -133.729 flat angles C4'-P-C4' energy: -128.761 flat angles P-C4'-P energy: -50.277 tors. eta vs tors. theta energy: -32.386 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: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3031.461976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.461976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.461976 (E_RNA) where: Base-Base interactions energy: -2156.614 where: short stacking energy: -869.223 Base-Backbone interact. energy: 1.471 local terms energy: -876.318696 where: bonds (distance) C4'-P energy: -165.091 bonds (distance) P-C4' energy: -162.728 flat angles C4'-P-C4' energy: -179.081 flat angles P-C4'-P energy: -127.826 tors. eta vs tors. theta energy: -241.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -2902.067143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.067143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.067143 (E_RNA) where: Base-Base interactions energy: -2038.082 where: short stacking energy: -877.406 Base-Backbone interact. energy: -4.498 local terms energy: -859.486876 where: bonds (distance) C4'-P energy: -144.663 bonds (distance) P-C4' energy: -175.449 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -116.066 tors. eta vs tors. theta energy: -243.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -2838.861280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.861280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.861280 (E_RNA) where: Base-Base interactions energy: -1981.641 where: short stacking energy: -875.901 Base-Backbone interact. energy: -0.038 local terms energy: -857.183184 where: bonds (distance) C4'-P energy: -153.041 bonds (distance) P-C4' energy: -155.631 flat angles C4'-P-C4' energy: -184.242 flat angles P-C4'-P energy: -115.743 tors. eta vs tors. theta energy: -248.526 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2681.334827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.334827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.334827 (E_RNA) where: Base-Base interactions energy: -1870.459 where: short stacking energy: -791.169 Base-Backbone interact. energy: 1.269 local terms energy: -812.145121 where: bonds (distance) C4'-P energy: -151.055 bonds (distance) P-C4' energy: -157.593 flat angles C4'-P-C4' energy: -175.170 flat angles P-C4'-P energy: -105.228 tors. eta vs tors. theta energy: -223.099 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: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2451.116471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.116471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.116471 (E_RNA) where: Base-Base interactions energy: -1713.064 where: short stacking energy: -730.219 Base-Backbone interact. energy: -3.267 local terms energy: -734.785526 where: bonds (distance) C4'-P energy: -131.791 bonds (distance) P-C4' energy: -166.109 flat angles C4'-P-C4' energy: -159.428 flat angles P-C4'-P energy: -95.008 tors. eta vs tors. theta energy: -182.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2428.144944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.144944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.144944 (E_RNA) where: Base-Base interactions energy: -1679.597 where: short stacking energy: -732.607 Base-Backbone interact. energy: -1.322 local terms energy: -747.225338 where: bonds (distance) C4'-P energy: -147.429 bonds (distance) P-C4' energy: -136.378 flat angles C4'-P-C4' energy: -168.835 flat angles P-C4'-P energy: -97.378 tors. eta vs tors. theta energy: -197.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2002.677873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.677873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.677873 (E_RNA) where: Base-Base interactions energy: -1335.177 where: short stacking energy: -576.770 Base-Backbone interact. energy: -0.584 local terms energy: -666.916847 where: bonds (distance) C4'-P energy: -148.501 bonds (distance) P-C4' energy: -148.057 flat angles C4'-P-C4' energy: -156.357 flat angles P-C4'-P energy: -85.789 tors. eta vs tors. theta energy: -128.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1683.649780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.649780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.649780 (E_RNA) where: Base-Base interactions energy: -1109.971 where: short stacking energy: -474.627 Base-Backbone interact. energy: -2.725 local terms energy: -570.954219 where: bonds (distance) C4'-P energy: -118.203 bonds (distance) P-C4' energy: -130.240 flat angles C4'-P-C4' energy: -143.632 flat angles P-C4'-P energy: -96.296 tors. eta vs tors. theta energy: -82.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1416.858068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.858068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.858068 (E_RNA) where: Base-Base interactions energy: -852.618 where: short stacking energy: -413.185 Base-Backbone interact. energy: -2.939 local terms energy: -561.301152 where: bonds (distance) C4'-P energy: -111.613 bonds (distance) P-C4' energy: -151.882 flat angles C4'-P-C4' energy: -146.633 flat angles P-C4'-P energy: -93.251 tors. eta vs tors. theta energy: -57.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1235.980014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.980014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.980014 (E_RNA) where: Base-Base interactions energy: -757.941 where: short stacking energy: -334.283 Base-Backbone interact. energy: 8.052 local terms energy: -486.091475 where: bonds (distance) C4'-P energy: -115.066 bonds (distance) P-C4' energy: -138.126 flat angles C4'-P-C4' energy: -137.635 flat angles P-C4'-P energy: -63.159 tors. eta vs tors. theta energy: -32.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3031.110359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.110359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.110359 (E_RNA) where: Base-Base interactions energy: -2131.187 where: short stacking energy: -890.998 Base-Backbone interact. energy: 0.285 local terms energy: -900.208672 where: bonds (distance) C4'-P energy: -164.536 bonds (distance) P-C4' energy: -168.947 flat angles C4'-P-C4' energy: -188.479 flat angles P-C4'-P energy: -127.793 tors. eta vs tors. theta energy: -250.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -2915.608797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.608797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.608797 (E_RNA) where: Base-Base interactions energy: -2008.278 where: short stacking energy: -887.721 Base-Backbone interact. energy: -2.180 local terms energy: -905.151557 where: bonds (distance) C4'-P energy: -159.175 bonds (distance) P-C4' energy: -178.989 flat angles C4'-P-C4' energy: -196.371 flat angles P-C4'-P energy: -122.031 tors. eta vs tors. theta energy: -248.585 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: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2868.923181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.923181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.923181 (E_RNA) where: Base-Base interactions energy: -1998.801 where: short stacking energy: -860.634 Base-Backbone interact. energy: -3.838 local terms energy: -866.283738 where: bonds (distance) C4'-P energy: -142.390 bonds (distance) P-C4' energy: -168.755 flat angles C4'-P-C4' energy: -183.487 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -252.525 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: 4, replica: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2707.092131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.092131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.092131 (E_RNA) where: Base-Base interactions energy: -1847.255 where: short stacking energy: -810.242 Base-Backbone interact. energy: -3.211 local terms energy: -856.626140 where: bonds (distance) C4'-P energy: -166.911 bonds (distance) P-C4' energy: -172.374 flat angles C4'-P-C4' energy: -169.572 flat angles P-C4'-P energy: -123.612 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: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2491.094695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.094695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.094695 (E_RNA) where: Base-Base interactions energy: -1750.920 where: short stacking energy: -715.004 Base-Backbone interact. energy: -2.027 local terms energy: -738.147538 where: bonds (distance) C4'-P energy: -132.838 bonds (distance) P-C4' energy: -149.635 flat angles C4'-P-C4' energy: -165.552 flat angles P-C4'-P energy: -108.779 tors. eta vs tors. theta energy: -181.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2329.644718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.644718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.644718 (E_RNA) where: Base-Base interactions energy: -1598.204 where: short stacking energy: -675.125 Base-Backbone interact. energy: -1.081 local terms energy: -730.360118 where: bonds (distance) C4'-P energy: -119.900 bonds (distance) P-C4' energy: -153.918 flat angles C4'-P-C4' energy: -174.430 flat angles P-C4'-P energy: -100.939 tors. eta vs tors. theta energy: -181.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1935.185514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.185514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.185514 (E_RNA) where: Base-Base interactions energy: -1307.326 where: short stacking energy: -559.993 Base-Backbone interact. energy: -4.143 local terms energy: -623.715895 where: bonds (distance) C4'-P energy: -144.708 bonds (distance) P-C4' energy: -130.380 flat angles C4'-P-C4' energy: -149.691 flat angles P-C4'-P energy: -95.331 tors. eta vs tors. theta energy: -103.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1697.066901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.066901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.066901 (E_RNA) where: Base-Base interactions energy: -1087.029 where: short stacking energy: -471.909 Base-Backbone interact. energy: 0.439 local terms energy: -610.476634 where: bonds (distance) C4'-P energy: -152.249 bonds (distance) P-C4' energy: -125.698 flat angles C4'-P-C4' energy: -156.723 flat angles P-C4'-P energy: -82.819 tors. eta vs tors. theta energy: -92.987 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: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1368.947340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.947340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.947340 (E_RNA) where: Base-Base interactions energy: -876.876 where: short stacking energy: -400.274 Base-Backbone interact. energy: -0.284 local terms energy: -491.786638 where: bonds (distance) C4'-P energy: -122.802 bonds (distance) P-C4' energy: -132.339 flat angles C4'-P-C4' energy: -120.735 flat angles P-C4'-P energy: -72.609 tors. eta vs tors. theta energy: -43.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1234.964071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.964071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.964071 (E_RNA) where: Base-Base interactions energy: -770.524 where: short stacking energy: -368.651 Base-Backbone interact. energy: -1.770 local terms energy: -462.669804 where: bonds (distance) C4'-P energy: -125.339 bonds (distance) P-C4' energy: -128.987 flat angles C4'-P-C4' energy: -118.595 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -21.819 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: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3031.364383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.364383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.364383 (E_RNA) where: Base-Base interactions energy: -2115.622 where: short stacking energy: -865.384 Base-Backbone interact. energy: -0.552 local terms energy: -915.191036 where: bonds (distance) C4'-P energy: -165.243 bonds (distance) P-C4' energy: -167.647 flat angles C4'-P-C4' energy: -197.705 flat angles P-C4'-P energy: -129.164 tors. eta vs tors. theta energy: -255.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -2923.767246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.767246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.767246 (E_RNA) where: Base-Base interactions energy: -2053.751 where: short stacking energy: -882.856 Base-Backbone interact. energy: -0.932 local terms energy: -869.083872 where: bonds (distance) C4'-P energy: -149.083 bonds (distance) P-C4' energy: -168.433 flat angles C4'-P-C4' energy: -185.737 flat angles P-C4'-P energy: -122.936 tors. eta vs tors. theta energy: -242.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2846.102394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.102394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.102394 (E_RNA) where: Base-Base interactions energy: -1982.268 where: short stacking energy: -847.883 Base-Backbone interact. energy: 0.325 local terms energy: -864.159464 where: bonds (distance) C4'-P energy: -157.849 bonds (distance) P-C4' energy: -157.583 flat angles C4'-P-C4' energy: -184.092 flat angles P-C4'-P energy: -120.668 tors. eta vs tors. theta energy: -243.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2725.774742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.774742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.774742 (E_RNA) where: Base-Base interactions energy: -1888.237 where: short stacking energy: -829.557 Base-Backbone interact. energy: -1.133 local terms energy: -836.404159 where: bonds (distance) C4'-P energy: -161.089 bonds (distance) P-C4' energy: -159.816 flat angles C4'-P-C4' energy: -180.426 flat angles P-C4'-P energy: -102.337 tors. eta vs tors. theta energy: -232.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2494.502091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.502091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.502091 (E_RNA) where: Base-Base interactions energy: -1751.788 where: short stacking energy: -747.993 Base-Backbone interact. energy: -0.351 local terms energy: -742.362991 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -147.510 flat angles C4'-P-C4' energy: -166.375 flat angles P-C4'-P energy: -100.880 tors. eta vs tors. theta energy: -187.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2460.258530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.258530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.258530 (E_RNA) where: Base-Base interactions energy: -1668.923 where: short stacking energy: -757.431 Base-Backbone interact. energy: -5.087 local terms energy: -786.248527 where: bonds (distance) C4'-P energy: -153.761 bonds (distance) P-C4' energy: -148.496 flat angles C4'-P-C4' energy: -159.273 flat angles P-C4'-P energy: -103.676 tors. eta vs tors. theta energy: -221.043 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: 6 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2043.551612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.551612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.551612 (E_RNA) where: Base-Base interactions energy: -1370.431 where: short stacking energy: -607.904 Base-Backbone interact. energy: -1.831 local terms energy: -671.290044 where: bonds (distance) C4'-P energy: -133.590 bonds (distance) P-C4' energy: -161.167 flat angles C4'-P-C4' energy: -148.710 flat angles P-C4'-P energy: -100.360 tors. eta vs tors. theta energy: -127.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1680.844426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.844426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.844426 (E_RNA) where: Base-Base interactions energy: -1090.829 where: short stacking energy: -479.546 Base-Backbone interact. energy: 2.065 local terms energy: -592.080159 where: bonds (distance) C4'-P energy: -127.318 bonds (distance) P-C4' energy: -132.979 flat angles C4'-P-C4' energy: -158.107 flat angles P-C4'-P energy: -93.594 tors. eta vs tors. theta energy: -80.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1309.027226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.027226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.027226 (E_RNA) where: Base-Base interactions energy: -787.100 where: short stacking energy: -384.515 Base-Backbone interact. energy: 0.414 local terms energy: -522.340944 where: bonds (distance) C4'-P energy: -118.412 bonds (distance) P-C4' energy: -157.438 flat angles C4'-P-C4' energy: -141.961 flat angles P-C4'-P energy: -73.407 tors. eta vs tors. theta energy: -31.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1201.001603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.001603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.001603 (E_RNA) where: Base-Base interactions energy: -695.467 where: short stacking energy: -329.145 Base-Backbone interact. energy: 1.848 local terms energy: -507.383098 where: bonds (distance) C4'-P energy: -121.402 bonds (distance) P-C4' energy: -141.673 flat angles C4'-P-C4' energy: -129.150 flat angles P-C4'-P energy: -77.199 tors. eta vs tors. theta energy: -37.960 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: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3028.604241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.604241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.604241 (E_RNA) where: Base-Base interactions energy: -2151.092 where: short stacking energy: -846.562 Base-Backbone interact. energy: -4.468 local terms energy: -873.043644 where: bonds (distance) C4'-P energy: -174.779 bonds (distance) P-C4' energy: -148.098 flat angles C4'-P-C4' energy: -186.806 flat angles P-C4'-P energy: -124.709 tors. eta vs tors. theta energy: -238.651 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: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -2958.126050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.126050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.126050 (E_RNA) where: Base-Base interactions energy: -2056.142 where: short stacking energy: -890.871 Base-Backbone interact. energy: -2.577 local terms energy: -899.407136 where: bonds (distance) C4'-P energy: -159.574 bonds (distance) P-C4' energy: -164.903 flat angles C4'-P-C4' energy: -186.747 flat angles P-C4'-P energy: -130.690 tors. eta vs tors. theta energy: -257.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -2848.049730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.049730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.049730 (E_RNA) where: Base-Base interactions energy: -1991.204 where: short stacking energy: -868.704 Base-Backbone interact. energy: -3.779 local terms energy: -853.067684 where: bonds (distance) C4'-P energy: -140.180 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -177.182 flat angles P-C4'-P energy: -131.586 tors. eta vs tors. theta energy: -244.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2689.151823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.151823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.151823 (E_RNA) where: Base-Base interactions energy: -1871.977 where: short stacking energy: -834.614 Base-Backbone interact. energy: -0.406 local terms energy: -816.768714 where: bonds (distance) C4'-P energy: -136.453 bonds (distance) P-C4' energy: -151.782 flat angles C4'-P-C4' energy: -181.305 flat angles P-C4'-P energy: -110.940 tors. eta vs tors. theta energy: -236.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2530.773083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.773083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.773083 (E_RNA) where: Base-Base interactions energy: -1740.990 where: short stacking energy: -740.641 Base-Backbone interact. energy: -3.559 local terms energy: -786.224305 where: bonds (distance) C4'-P energy: -147.725 bonds (distance) P-C4' energy: -160.570 flat angles C4'-P-C4' energy: -176.673 flat angles P-C4'-P energy: -98.229 tors. eta vs tors. theta energy: -203.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2426.632229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.632229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.632229 (E_RNA) where: Base-Base interactions energy: -1661.819 where: short stacking energy: -744.162 Base-Backbone interact. energy: -1.488 local terms energy: -763.325703 where: bonds (distance) C4'-P energy: -145.588 bonds (distance) P-C4' energy: -118.474 flat angles C4'-P-C4' energy: -166.114 flat angles P-C4'-P energy: -119.413 tors. eta vs tors. theta energy: -213.737 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: 353 Temperature: 1.200000 Total energy: -2005.680670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.680670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.680670 (E_RNA) where: Base-Base interactions energy: -1396.244 where: short stacking energy: -585.914 Base-Backbone interact. energy: -2.293 local terms energy: -607.143743 where: bonds (distance) C4'-P energy: -125.077 bonds (distance) P-C4' energy: -139.351 flat angles C4'-P-C4' energy: -138.238 flat angles P-C4'-P energy: -98.282 tors. eta vs tors. theta energy: -106.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1710.616325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.616325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.616325 (E_RNA) where: Base-Base interactions energy: -1132.519 where: short stacking energy: -503.989 Base-Backbone interact. energy: -0.435 local terms energy: -577.662573 where: bonds (distance) C4'-P energy: -119.829 bonds (distance) P-C4' energy: -137.177 flat angles C4'-P-C4' energy: -148.519 flat angles P-C4'-P energy: -75.496 tors. eta vs tors. theta energy: -96.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1303.866208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.866208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.866208 (E_RNA) where: Base-Base interactions energy: -758.284 where: short stacking energy: -369.043 Base-Backbone interact. energy: -2.399 local terms energy: -543.182919 where: bonds (distance) C4'-P energy: -134.941 bonds (distance) P-C4' energy: -142.293 flat angles C4'-P-C4' energy: -140.342 flat angles P-C4'-P energy: -73.061 tors. eta vs tors. theta energy: -52.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1222.412633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.412633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.412633 (E_RNA) where: Base-Base interactions energy: -717.641 where: short stacking energy: -340.086 Base-Backbone interact. energy: 1.104 local terms energy: -505.875012 where: bonds (distance) C4'-P energy: -110.889 bonds (distance) P-C4' energy: -137.480 flat angles C4'-P-C4' energy: -134.448 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -46.697 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: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3041.214508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.214508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.214508 (E_RNA) where: Base-Base interactions energy: -2135.947 where: short stacking energy: -877.781 Base-Backbone interact. energy: -5.312 local terms energy: -899.955379 where: bonds (distance) C4'-P energy: -172.761 bonds (distance) P-C4' energy: -174.188 flat angles C4'-P-C4' energy: -184.219 flat angles P-C4'-P energy: -125.031 tors. eta vs tors. theta energy: -243.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -2944.858577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.858577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.858577 (E_RNA) where: Base-Base interactions energy: -2058.591 where: short stacking energy: -881.293 Base-Backbone interact. energy: 0.984 local terms energy: -887.251723 where: bonds (distance) C4'-P energy: -165.305 bonds (distance) P-C4' energy: -166.663 flat angles C4'-P-C4' energy: -185.042 flat angles P-C4'-P energy: -113.965 tors. eta vs tors. theta energy: -256.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -2855.004321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.004321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.004321 (E_RNA) where: Base-Base interactions energy: -1990.007 where: short stacking energy: -855.844 Base-Backbone interact. energy: -4.280 local terms energy: -860.717877 where: bonds (distance) C4'-P energy: -163.753 bonds (distance) P-C4' energy: -164.306 flat angles C4'-P-C4' energy: -174.153 flat angles P-C4'-P energy: -109.033 tors. eta vs tors. theta energy: -249.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2645.346704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.346704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.346704 (E_RNA) where: Base-Base interactions energy: -1833.634 where: short stacking energy: -792.374 Base-Backbone interact. energy: -0.328 local terms energy: -811.384843 where: bonds (distance) C4'-P energy: -161.009 bonds (distance) P-C4' energy: -147.244 flat angles C4'-P-C4' energy: -170.348 flat angles P-C4'-P energy: -112.019 tors. eta vs tors. theta energy: -220.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2586.047786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.047786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.047786 (E_RNA) where: Base-Base interactions energy: -1801.755 where: short stacking energy: -767.354 Base-Backbone interact. energy: -2.999 local terms energy: -781.294206 where: bonds (distance) C4'-P energy: -149.123 bonds (distance) P-C4' energy: -149.911 flat angles C4'-P-C4' energy: -164.869 flat angles P-C4'-P energy: -113.643 tors. eta vs tors. theta energy: -203.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2467.292303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.292303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.292303 (E_RNA) where: Base-Base interactions energy: -1726.967 where: short stacking energy: -770.392 Base-Backbone interact. energy: -0.893 local terms energy: -739.431919 where: bonds (distance) C4'-P energy: -130.440 bonds (distance) P-C4' energy: -131.399 flat angles C4'-P-C4' energy: -161.729 flat angles P-C4'-P energy: -106.596 tors. eta vs tors. theta energy: -209.267 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: 7, replica: 6 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2007.921653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.921653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.921653 (E_RNA) where: Base-Base interactions energy: -1380.405 where: short stacking energy: -600.348 Base-Backbone interact. energy: 0.913 local terms energy: -628.430333 where: bonds (distance) C4'-P energy: -129.167 bonds (distance) P-C4' energy: -115.389 flat angles C4'-P-C4' energy: -143.468 flat angles P-C4'-P energy: -102.240 tors. eta vs tors. theta energy: -138.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1722.221602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.221602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.221602 (E_RNA) where: Base-Base interactions energy: -1141.949 where: short stacking energy: -502.180 Base-Backbone interact. energy: -4.643 local terms energy: -575.630439 where: bonds (distance) C4'-P energy: -128.713 bonds (distance) P-C4' energy: -128.256 flat angles C4'-P-C4' energy: -134.564 flat angles P-C4'-P energy: -94.314 tors. eta vs tors. theta energy: -89.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1342.797944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.797944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.797944 (E_RNA) where: Base-Base interactions energy: -844.345 where: short stacking energy: -431.756 Base-Backbone interact. energy: 2.034 local terms energy: -500.486331 where: bonds (distance) C4'-P energy: -112.183 bonds (distance) P-C4' energy: -122.215 flat angles C4'-P-C4' energy: -139.360 flat angles P-C4'-P energy: -63.250 tors. eta vs tors. theta energy: -63.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1166.232034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.232034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.232034 (E_RNA) where: Base-Base interactions energy: -690.228 where: short stacking energy: -345.103 Base-Backbone interact. energy: 5.298 local terms energy: -481.301828 where: bonds (distance) C4'-P energy: -129.466 bonds (distance) P-C4' energy: -129.658 flat angles C4'-P-C4' energy: -113.206 flat angles P-C4'-P energy: -79.236 tors. eta vs tors. theta energy: -29.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3021.152661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.152661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.152661 (E_RNA) where: Base-Base interactions energy: -2151.457 where: short stacking energy: -857.049 Base-Backbone interact. energy: -2.543 local terms energy: -867.151782 where: bonds (distance) C4'-P energy: -163.654 bonds (distance) P-C4' energy: -163.450 flat angles C4'-P-C4' energy: -188.694 flat angles P-C4'-P energy: -115.415 tors. eta vs tors. theta energy: -235.939 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: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -2936.987950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.987950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.987950 (E_RNA) where: Base-Base interactions energy: -2072.233 where: short stacking energy: -883.964 Base-Backbone interact. energy: -3.034 local terms energy: -861.720230 where: bonds (distance) C4'-P energy: -150.604 bonds (distance) P-C4' energy: -156.718 flat angles C4'-P-C4' energy: -186.967 flat angles P-C4'-P energy: -111.477 tors. eta vs tors. theta energy: -255.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2832.071093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.071093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.071093 (E_RNA) where: Base-Base interactions energy: -1984.448 where: short stacking energy: -831.315 Base-Backbone interact. energy: -2.243 local terms energy: -845.380084 where: bonds (distance) C4'-P energy: -154.834 bonds (distance) P-C4' energy: -138.598 flat angles C4'-P-C4' energy: -182.949 flat angles P-C4'-P energy: -118.582 tors. eta vs tors. theta energy: -250.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2677.449028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.449028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.449028 (E_RNA) where: Base-Base interactions energy: -1870.938 where: short stacking energy: -838.907 Base-Backbone interact. energy: -0.581 local terms energy: -805.930539 where: bonds (distance) C4'-P energy: -135.087 bonds (distance) P-C4' energy: -149.685 flat angles C4'-P-C4' energy: -183.318 flat angles P-C4'-P energy: -112.780 tors. eta vs tors. theta energy: -225.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2549.093603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.093603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.093603 (E_RNA) where: Base-Base interactions energy: -1793.724 where: short stacking energy: -732.653 Base-Backbone interact. energy: -1.371 local terms energy: -753.998298 where: bonds (distance) C4'-P energy: -143.445 bonds (distance) P-C4' energy: -145.940 flat angles C4'-P-C4' energy: -161.701 flat angles P-C4'-P energy: -114.214 tors. eta vs tors. theta energy: -188.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2468.075701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.075701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.075701 (E_RNA) where: Base-Base interactions energy: -1691.154 where: short stacking energy: -742.406 Base-Backbone interact. energy: -2.799 local terms energy: -774.122809 where: bonds (distance) C4'-P energy: -136.428 bonds (distance) P-C4' energy: -152.017 flat angles C4'-P-C4' energy: -156.124 flat angles P-C4'-P energy: -115.842 tors. eta vs tors. theta energy: -213.713 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: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2023.769417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.769417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.769417 (E_RNA) where: Base-Base interactions energy: -1346.864 where: short stacking energy: -563.365 Base-Backbone interact. energy: 2.780 local terms energy: -679.684706 where: bonds (distance) C4'-P energy: -160.679 bonds (distance) P-C4' energy: -149.916 flat angles C4'-P-C4' energy: -144.573 flat angles P-C4'-P energy: -106.282 tors. eta vs tors. theta energy: -118.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1797.100022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.100022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.100022 (E_RNA) where: Base-Base interactions energy: -1185.345 where: short stacking energy: -503.351 Base-Backbone interact. energy: -1.106 local terms energy: -610.648992 where: bonds (distance) C4'-P energy: -121.458 bonds (distance) P-C4' energy: -146.417 flat angles C4'-P-C4' energy: -143.656 flat angles P-C4'-P energy: -80.519 tors. eta vs tors. theta energy: -118.599 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: 8 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1358.293365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.293365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.293365 (E_RNA) where: Base-Base interactions energy: -814.346 where: short stacking energy: -409.773 Base-Backbone interact. energy: 2.777 local terms energy: -546.723556 where: bonds (distance) C4'-P energy: -123.684 bonds (distance) P-C4' energy: -143.695 flat angles C4'-P-C4' energy: -122.794 flat angles P-C4'-P energy: -91.680 tors. eta vs tors. theta energy: -64.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1153.619032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.619032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.619032 (E_RNA) where: Base-Base interactions energy: -698.992 where: short stacking energy: -341.137 Base-Backbone interact. energy: -2.900 local terms energy: -451.727488 where: bonds (distance) C4'-P energy: -110.508 bonds (distance) P-C4' energy: -150.401 flat angles C4'-P-C4' energy: -120.030 flat angles P-C4'-P energy: -58.317 tors. eta vs tors. theta energy: -12.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3002.174078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.174078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.174078 (E_RNA) where: Base-Base interactions energy: -2099.434 where: short stacking energy: -909.256 Base-Backbone interact. energy: -4.028 local terms energy: -898.711853 where: bonds (distance) C4'-P energy: -143.122 bonds (distance) P-C4' energy: -179.612 flat angles C4'-P-C4' energy: -193.548 flat angles P-C4'-P energy: -124.674 tors. eta vs tors. theta energy: -257.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -2980.874414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.874414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.874414 (E_RNA) where: Base-Base interactions energy: -2098.207 where: short stacking energy: -841.353 Base-Backbone interact. energy: -2.731 local terms energy: -879.936297 where: bonds (distance) C4'-P energy: -157.365 bonds (distance) P-C4' energy: -163.802 flat angles C4'-P-C4' energy: -201.795 flat angles P-C4'-P energy: -124.260 tors. eta vs tors. theta energy: -232.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -2863.430412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.430412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.430412 (E_RNA) where: Base-Base interactions energy: -1971.092 where: short stacking energy: -866.870 Base-Backbone interact. energy: -1.616 local terms energy: -890.722585 where: bonds (distance) C4'-P energy: -160.363 bonds (distance) P-C4' energy: -158.289 flat angles C4'-P-C4' energy: -180.855 flat angles P-C4'-P energy: -135.978 tors. eta vs tors. theta energy: -255.238 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: 2 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2670.791205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.791205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.791205 (E_RNA) where: Base-Base interactions energy: -1850.358 where: short stacking energy: -798.230 Base-Backbone interact. energy: -1.843 local terms energy: -818.590585 where: bonds (distance) C4'-P energy: -167.221 bonds (distance) P-C4' energy: -155.712 flat angles C4'-P-C4' energy: -176.114 flat angles P-C4'-P energy: -91.006 tors. eta vs tors. theta energy: -228.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2578.307690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.307690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.307690 (E_RNA) where: Base-Base interactions energy: -1776.502 where: short stacking energy: -810.416 Base-Backbone interact. energy: -0.716 local terms energy: -801.089836 where: bonds (distance) C4'-P energy: -155.284 bonds (distance) P-C4' energy: -150.018 flat angles C4'-P-C4' energy: -164.043 flat angles P-C4'-P energy: -115.833 tors. eta vs tors. theta energy: -215.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2443.159208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.159208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.159208 (E_RNA) where: Base-Base interactions energy: -1718.687 where: short stacking energy: -710.435 Base-Backbone interact. energy: -2.042 local terms energy: -722.430883 where: bonds (distance) C4'-P energy: -151.227 bonds (distance) P-C4' energy: -134.728 flat angles C4'-P-C4' energy: -159.770 flat angles P-C4'-P energy: -101.740 tors. eta vs tors. theta energy: -174.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2040.996099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.996099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.996099 (E_RNA) where: Base-Base interactions energy: -1379.299 where: short stacking energy: -588.741 Base-Backbone interact. energy: -3.570 local terms energy: -658.126617 where: bonds (distance) C4'-P energy: -139.716 bonds (distance) P-C4' energy: -158.769 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -97.149 tors. eta vs tors. theta energy: -120.960 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: 8, replica: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1668.270712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.270712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.270712 (E_RNA) where: Base-Base interactions energy: -1092.589 where: short stacking energy: -463.197 Base-Backbone interact. energy: 1.016 local terms energy: -576.697238 where: bonds (distance) C4'-P energy: -129.080 bonds (distance) P-C4' energy: -137.044 flat angles C4'-P-C4' energy: -141.664 flat angles P-C4'-P energy: -83.605 tors. eta vs tors. theta energy: -85.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1421.032170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.032170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.032170 (E_RNA) where: Base-Base interactions energy: -860.959 where: short stacking energy: -428.889 Base-Backbone interact. energy: -1.705 local terms energy: -558.368205 where: bonds (distance) C4'-P energy: -106.898 bonds (distance) P-C4' energy: -143.263 flat angles C4'-P-C4' energy: -154.870 flat angles P-C4'-P energy: -76.173 tors. eta vs tors. theta energy: -77.164 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: 4 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1221.922218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.922218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.922218 (E_RNA) where: Base-Base interactions energy: -709.337 where: short stacking energy: -326.386 Base-Backbone interact. energy: 3.256 local terms energy: -515.841247 where: bonds (distance) C4'-P energy: -120.361 bonds (distance) P-C4' energy: -144.205 flat angles C4'-P-C4' energy: -117.523 flat angles P-C4'-P energy: -98.139 tors. eta vs tors. theta energy: -35.613 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: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -2996.529018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.529018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.529018 (E_RNA) where: Base-Base interactions energy: -2099.332 where: short stacking energy: -913.057 Base-Backbone interact. energy: -3.159 local terms energy: -894.038331 where: bonds (distance) C4'-P energy: -147.050 bonds (distance) P-C4' energy: -166.701 flat angles C4'-P-C4' energy: -181.642 flat angles P-C4'-P energy: -137.200 tors. eta vs tors. theta energy: -261.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -2981.603731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.603731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.603731 (E_RNA) where: Base-Base interactions energy: -2122.762 where: short stacking energy: -849.531 Base-Backbone interact. energy: -0.376 local terms energy: -858.465436 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -157.590 flat angles C4'-P-C4' energy: -191.914 flat angles P-C4'-P energy: -124.624 tors. eta vs tors. theta energy: -233.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2849.655587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.655587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.655587 (E_RNA) where: Base-Base interactions energy: -1987.857 where: short stacking energy: -874.444 Base-Backbone interact. energy: 2.107 local terms energy: -863.905355 where: bonds (distance) C4'-P energy: -141.165 bonds (distance) P-C4' energy: -156.428 flat angles C4'-P-C4' energy: -185.517 flat angles P-C4'-P energy: -125.940 tors. eta vs tors. theta energy: -254.855 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: 2 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2683.202235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.202235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.202235 (E_RNA) where: Base-Base interactions energy: -1887.111 where: short stacking energy: -794.776 Base-Backbone interact. energy: -1.834 local terms energy: -794.257224 where: bonds (distance) C4'-P energy: -129.123 bonds (distance) P-C4' energy: -148.626 flat angles C4'-P-C4' energy: -176.685 flat angles P-C4'-P energy: -117.092 tors. eta vs tors. theta energy: -222.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2514.488572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.488572 (E_RNA) where: Base-Base interactions energy: -1726.505 where: short stacking energy: -768.711 Base-Backbone interact. energy: 0.625 local terms energy: -788.607885 where: bonds (distance) C4'-P energy: -146.979 bonds (distance) P-C4' energy: -166.484 flat angles C4'-P-C4' energy: -157.342 flat angles P-C4'-P energy: -95.633 tors. eta vs tors. theta energy: -222.170 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: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2484.644580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.644580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.644580 (E_RNA) where: Base-Base interactions energy: -1749.348 where: short stacking energy: -718.958 Base-Backbone interact. energy: 4.457 local terms energy: -739.753405 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -151.109 flat angles C4'-P-C4' energy: -154.419 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -188.570 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: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2007.980779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.980779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.980779 (E_RNA) where: Base-Base interactions energy: -1346.790 where: short stacking energy: -576.886 Base-Backbone interact. energy: 3.466 local terms energy: -664.656734 where: bonds (distance) C4'-P energy: -117.431 bonds (distance) P-C4' energy: -153.500 flat angles C4'-P-C4' energy: -159.283 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -129.649 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: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1630.358078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.358078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.358078 (E_RNA) where: Base-Base interactions energy: -1033.562 where: short stacking energy: -474.372 Base-Backbone interact. energy: -0.492 local terms energy: -596.304053 where: bonds (distance) C4'-P energy: -139.989 bonds (distance) P-C4' energy: -133.834 flat angles C4'-P-C4' energy: -149.556 flat angles P-C4'-P energy: -85.470 tors. eta vs tors. theta energy: -87.455 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: 357 Temperature: 1.300000 Total energy: -1366.865890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.865890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.865890 (E_RNA) where: Base-Base interactions energy: -827.410 where: short stacking energy: -384.593 Base-Backbone interact. energy: 3.677 local terms energy: -543.132266 where: bonds (distance) C4'-P energy: -132.425 bonds (distance) P-C4' energy: -125.879 flat angles C4'-P-C4' energy: -142.723 flat angles P-C4'-P energy: -86.752 tors. eta vs tors. theta energy: -55.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1209.078050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.078050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.078050 (E_RNA) where: Base-Base interactions energy: -703.345 where: short stacking energy: -334.538 Base-Backbone interact. energy: -3.936 local terms energy: -501.796330 where: bonds (distance) C4'-P energy: -133.764 bonds (distance) P-C4' energy: -137.675 flat angles C4'-P-C4' energy: -138.977 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -23.310 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: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3037.549220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.549220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.549220 (E_RNA) where: Base-Base interactions energy: -2133.285 where: short stacking energy: -877.209 Base-Backbone interact. energy: -0.899 local terms energy: -903.364779 where: bonds (distance) C4'-P energy: -157.223 bonds (distance) P-C4' energy: -173.627 flat angles C4'-P-C4' energy: -193.197 flat angles P-C4'-P energy: -127.683 tors. eta vs tors. theta energy: -251.635 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: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -2967.215067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.215067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.215067 (E_RNA) where: Base-Base interactions energy: -2076.204 where: short stacking energy: -912.078 Base-Backbone interact. energy: -0.091 local terms energy: -890.920377 where: bonds (distance) C4'-P energy: -161.705 bonds (distance) P-C4' energy: -172.873 flat angles C4'-P-C4' energy: -180.296 flat angles P-C4'-P energy: -113.668 tors. eta vs tors. theta energy: -262.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2860.119160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.119160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.119160 (E_RNA) where: Base-Base interactions energy: -1978.475 where: short stacking energy: -858.879 Base-Backbone interact. energy: -4.824 local terms energy: -876.819985 where: bonds (distance) C4'-P energy: -144.858 bonds (distance) P-C4' energy: -165.120 flat angles C4'-P-C4' energy: -186.607 flat angles P-C4'-P energy: -133.550 tors. eta vs tors. theta energy: -246.686 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: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2671.037279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.037279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.037279 (E_RNA) where: Base-Base interactions energy: -1838.851 where: short stacking energy: -800.638 Base-Backbone interact. energy: -0.310 local terms energy: -831.875995 where: bonds (distance) C4'-P energy: -168.375 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -172.769 flat angles P-C4'-P energy: -108.300 tors. eta vs tors. theta energy: -221.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2518.387016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.387016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.387016 (E_RNA) where: Base-Base interactions energy: -1742.742 where: short stacking energy: -754.868 Base-Backbone interact. energy: -1.475 local terms energy: -774.169780 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -152.699 flat angles C4'-P-C4' energy: -165.296 flat angles P-C4'-P energy: -107.918 tors. eta vs tors. theta energy: -205.668 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: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2496.184833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.184833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.184833 (E_RNA) where: Base-Base interactions energy: -1712.751 where: short stacking energy: -731.797 Base-Backbone interact. energy: -0.140 local terms energy: -783.294000 where: bonds (distance) C4'-P energy: -139.729 bonds (distance) P-C4' energy: -151.427 flat angles C4'-P-C4' energy: -183.747 flat angles P-C4'-P energy: -106.534 tors. eta vs tors. theta energy: -201.856 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: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2043.940444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.940444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.940444 (E_RNA) where: Base-Base interactions energy: -1365.565 where: short stacking energy: -593.062 Base-Backbone interact. energy: -2.001 local terms energy: -676.374369 where: bonds (distance) C4'-P energy: -152.516 bonds (distance) P-C4' energy: -138.020 flat angles C4'-P-C4' energy: -150.173 flat angles P-C4'-P energy: -108.894 tors. eta vs tors. theta energy: -126.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1651.732821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.732821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.732821 (E_RNA) where: Base-Base interactions energy: -1098.614 where: short stacking energy: -485.791 Base-Backbone interact. energy: 3.528 local terms energy: -556.646850 where: bonds (distance) C4'-P energy: -125.942 bonds (distance) P-C4' energy: -145.970 flat angles C4'-P-C4' energy: -123.094 flat angles P-C4'-P energy: -79.077 tors. eta vs tors. theta energy: -82.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1366.275409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.275409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.275409 (E_RNA) where: Base-Base interactions energy: -847.140 where: short stacking energy: -371.120 Base-Backbone interact. energy: -1.428 local terms energy: -517.707489 where: bonds (distance) C4'-P energy: -132.841 bonds (distance) P-C4' energy: -143.365 flat angles C4'-P-C4' energy: -118.341 flat angles P-C4'-P energy: -66.964 tors. eta vs tors. theta energy: -56.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1180.089405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.089405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.089405 (E_RNA) where: Base-Base interactions energy: -692.059 where: short stacking energy: -349.099 Base-Backbone interact. energy: 7.339 local terms energy: -495.369593 where: bonds (distance) C4'-P energy: -117.589 bonds (distance) P-C4' energy: -135.054 flat angles C4'-P-C4' energy: -127.014 flat angles P-C4'-P energy: -72.818 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: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3054.053207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.053207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.053207 (E_RNA) where: Base-Base interactions energy: -2156.318 where: short stacking energy: -904.751 Base-Backbone interact. energy: -3.223 local terms energy: -894.512931 where: bonds (distance) C4'-P energy: -158.063 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -192.148 flat angles P-C4'-P energy: -124.730 tors. eta vs tors. theta energy: -251.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -2988.350143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.350143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.350143 (E_RNA) where: Base-Base interactions energy: -2117.213 where: short stacking energy: -928.441 Base-Backbone interact. energy: -0.145 local terms energy: -870.992744 where: bonds (distance) C4'-P energy: -162.811 bonds (distance) P-C4' energy: -149.001 flat angles C4'-P-C4' energy: -188.710 flat angles P-C4'-P energy: -112.349 tors. eta vs tors. theta energy: -258.121 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: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -2822.451257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.451257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.451257 (E_RNA) where: Base-Base interactions energy: -1959.727 where: short stacking energy: -876.397 Base-Backbone interact. energy: -0.073 local terms energy: -862.651443 where: bonds (distance) C4'-P energy: -161.524 bonds (distance) P-C4' energy: -156.523 flat angles C4'-P-C4' energy: -181.312 flat angles P-C4'-P energy: -120.099 tors. eta vs tors. theta energy: -243.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2698.360330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.360330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.360330 (E_RNA) where: Base-Base interactions energy: -1871.809 where: short stacking energy: -802.699 Base-Backbone interact. energy: -5.132 local terms energy: -821.418772 where: bonds (distance) C4'-P energy: -161.115 bonds (distance) P-C4' energy: -157.087 flat angles C4'-P-C4' energy: -170.028 flat angles P-C4'-P energy: -115.853 tors. eta vs tors. theta energy: -217.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2502.428698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.428698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.428698 (E_RNA) where: Base-Base interactions energy: -1716.846 where: short stacking energy: -759.985 Base-Backbone interact. energy: -3.135 local terms energy: -782.447606 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -140.753 flat angles C4'-P-C4' energy: -167.861 flat angles P-C4'-P energy: -111.832 tors. eta vs tors. theta energy: -217.323 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: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2465.663277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.663277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.663277 (E_RNA) where: Base-Base interactions energy: -1734.271 where: short stacking energy: -736.442 Base-Backbone interact. energy: -1.728 local terms energy: -729.663971 where: bonds (distance) C4'-P energy: -137.091 bonds (distance) P-C4' energy: -143.284 flat angles C4'-P-C4' energy: -160.744 flat angles P-C4'-P energy: -87.432 tors. eta vs tors. theta energy: -201.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2059.251450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.251450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.251450 (E_RNA) where: Base-Base interactions energy: -1376.949 where: short stacking energy: -595.723 Base-Backbone interact. energy: -1.972 local terms energy: -680.330449 where: bonds (distance) C4'-P energy: -141.918 bonds (distance) P-C4' energy: -150.432 flat angles C4'-P-C4' energy: -166.552 flat angles P-C4'-P energy: -95.297 tors. eta vs tors. theta energy: -126.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1727.596670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.596670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.596670 (E_RNA) where: Base-Base interactions energy: -1127.749 where: short stacking energy: -474.409 Base-Backbone interact. energy: -2.803 local terms energy: -597.044069 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -148.901 flat angles C4'-P-C4' energy: -147.240 flat angles P-C4'-P energy: -76.185 tors. eta vs tors. theta energy: -99.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1383.930211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.930211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.930211 (E_RNA) where: Base-Base interactions energy: -820.445 where: short stacking energy: -381.588 Base-Backbone interact. energy: -1.771 local terms energy: -561.714749 where: bonds (distance) C4'-P energy: -125.421 bonds (distance) P-C4' energy: -163.193 flat angles C4'-P-C4' energy: -135.856 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -50.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1147.618001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.618001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.618001 (E_RNA) where: Base-Base interactions energy: -693.327 where: short stacking energy: -308.962 Base-Backbone interact. energy: -0.557 local terms energy: -453.733809 where: bonds (distance) C4'-P energy: -121.731 bonds (distance) P-C4' energy: -126.916 flat angles C4'-P-C4' energy: -127.883 flat angles P-C4'-P energy: -67.085 tors. eta vs tors. theta energy: -10.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3047.071396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.071396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.071396 (E_RNA) where: Base-Base interactions energy: -2129.470 where: short stacking energy: -876.349 Base-Backbone interact. energy: -6.542 local terms energy: -911.058528 where: bonds (distance) C4'-P energy: -158.489 bonds (distance) P-C4' energy: -174.851 flat angles C4'-P-C4' energy: -202.181 flat angles P-C4'-P energy: -119.853 tors. eta vs tors. theta energy: -255.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -2953.171707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.171707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.171707 (E_RNA) where: Base-Base interactions energy: -2055.302 where: short stacking energy: -904.399 Base-Backbone interact. energy: -1.681 local terms energy: -896.189038 where: bonds (distance) C4'-P energy: -166.853 bonds (distance) P-C4' energy: -160.339 flat angles C4'-P-C4' energy: -191.729 flat angles P-C4'-P energy: -113.176 tors. eta vs tors. theta energy: -264.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -2815.885214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.885214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.885214 (E_RNA) where: Base-Base interactions energy: -1954.253 where: short stacking energy: -842.528 Base-Backbone interact. energy: 0.926 local terms energy: -862.558792 where: bonds (distance) C4'-P energy: -138.445 bonds (distance) P-C4' energy: -168.344 flat angles C4'-P-C4' energy: -183.116 flat angles P-C4'-P energy: -128.348 tors. eta vs tors. theta energy: -244.305 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: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2695.344731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.344731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.344731 (E_RNA) where: Base-Base interactions energy: -1877.935 where: short stacking energy: -811.086 Base-Backbone interact. energy: -5.619 local terms energy: -811.791146 where: bonds (distance) C4'-P energy: -151.491 bonds (distance) P-C4' energy: -154.723 flat angles C4'-P-C4' energy: -178.255 flat angles P-C4'-P energy: -111.260 tors. eta vs tors. theta energy: -216.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2504.615737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.615737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.615737 (E_RNA) where: Base-Base interactions energy: -1696.386 where: short stacking energy: -767.175 Base-Backbone interact. energy: -4.380 local terms energy: -803.849970 where: bonds (distance) C4'-P energy: -133.812 bonds (distance) P-C4' energy: -156.014 flat angles C4'-P-C4' energy: -181.982 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -221.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2458.027726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.027726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.027726 (E_RNA) where: Base-Base interactions energy: -1734.083 where: short stacking energy: -701.969 Base-Backbone interact. energy: -4.565 local terms energy: -719.379763 where: bonds (distance) C4'-P energy: -129.931 bonds (distance) P-C4' energy: -150.988 flat angles C4'-P-C4' energy: -147.050 flat angles P-C4'-P energy: -95.206 tors. eta vs tors. theta energy: -196.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2067.480996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.480996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.480996 (E_RNA) where: Base-Base interactions energy: -1400.708 where: short stacking energy: -573.064 Base-Backbone interact. energy: -3.502 local terms energy: -663.270560 where: bonds (distance) C4'-P energy: -126.379 bonds (distance) P-C4' energy: -153.604 flat angles C4'-P-C4' energy: -153.521 flat angles P-C4'-P energy: -106.424 tors. eta vs tors. theta energy: -123.343 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: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1687.689296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.689296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.689296 (E_RNA) where: Base-Base interactions energy: -1116.954 where: short stacking energy: -469.436 Base-Backbone interact. energy: -6.437 local terms energy: -564.298026 where: bonds (distance) C4'-P energy: -131.891 bonds (distance) P-C4' energy: -146.080 flat angles C4'-P-C4' energy: -132.117 flat angles P-C4'-P energy: -75.549 tors. eta vs tors. theta energy: -78.661 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: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1419.277749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.277749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.277749 (E_RNA) where: Base-Base interactions energy: -889.380 where: short stacking energy: -437.468 Base-Backbone interact. energy: 7.009 local terms energy: -536.906778 where: bonds (distance) C4'-P energy: -126.010 bonds (distance) P-C4' energy: -136.378 flat angles C4'-P-C4' energy: -141.077 flat angles P-C4'-P energy: -72.469 tors. eta vs tors. theta energy: -60.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1050.602961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.602961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.602961 (E_RNA) where: Base-Base interactions energy: -553.409 where: short stacking energy: -273.225 Base-Backbone interact. energy: -3.736 local terms energy: -493.457661 where: bonds (distance) C4'-P energy: -131.131 bonds (distance) P-C4' energy: -152.432 flat angles C4'-P-C4' energy: -130.898 flat angles P-C4'-P energy: -66.439 tors. eta vs tors. theta energy: -12.557 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: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3045.504371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.504371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.504371 (E_RNA) where: Base-Base interactions energy: -2152.075 where: short stacking energy: -897.997 Base-Backbone interact. energy: -1.172 local terms energy: -892.256942 where: bonds (distance) C4'-P energy: -158.416 bonds (distance) P-C4' energy: -156.267 flat angles C4'-P-C4' energy: -187.977 flat angles P-C4'-P energy: -130.250 tors. eta vs tors. theta energy: -259.347 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: 361 Temperature: 0.950000 Total energy: -2944.083659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.083659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.083659 (E_RNA) where: Base-Base interactions energy: -2023.873 where: short stacking energy: -884.713 Base-Backbone interact. energy: -4.359 local terms energy: -915.851990 where: bonds (distance) C4'-P energy: -176.353 bonds (distance) P-C4' energy: -154.781 flat angles C4'-P-C4' energy: -189.884 flat angles P-C4'-P energy: -134.396 tors. eta vs tors. theta energy: -260.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2842.781176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.781176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.781176 (E_RNA) where: Base-Base interactions energy: -2002.122 where: short stacking energy: -875.404 Base-Backbone interact. energy: -4.802 local terms energy: -835.857231 where: bonds (distance) C4'-P energy: -141.045 bonds (distance) P-C4' energy: -140.509 flat angles C4'-P-C4' energy: -188.857 flat angles P-C4'-P energy: -122.399 tors. eta vs tors. theta energy: -243.048 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: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2704.321174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.321174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.321174 (E_RNA) where: Base-Base interactions energy: -1905.756 where: short stacking energy: -817.949 Base-Backbone interact. energy: -6.087 local terms energy: -792.478718 where: bonds (distance) C4'-P energy: -135.408 bonds (distance) P-C4' energy: -143.122 flat angles C4'-P-C4' energy: -173.547 flat angles P-C4'-P energy: -120.774 tors. eta vs tors. theta energy: -219.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2497.593274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.593274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.593274 (E_RNA) where: Base-Base interactions energy: -1712.931 where: short stacking energy: -753.697 Base-Backbone interact. energy: 4.237 local terms energy: -788.898851 where: bonds (distance) C4'-P energy: -128.053 bonds (distance) P-C4' energy: -150.520 flat angles C4'-P-C4' energy: -188.644 flat angles P-C4'-P energy: -116.025 tors. eta vs tors. theta energy: -205.657 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: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2440.335916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2440.335916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2440.335916 (E_RNA) where: Base-Base interactions energy: -1701.995 where: short stacking energy: -724.671 Base-Backbone interact. energy: -7.196 local terms energy: -731.145116 where: bonds (distance) C4'-P energy: -140.584 bonds (distance) P-C4' energy: -146.584 flat angles C4'-P-C4' energy: -154.945 flat angles P-C4'-P energy: -95.943 tors. eta vs tors. theta energy: -193.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2071.340260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.340260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.340260 (E_RNA) where: Base-Base interactions energy: -1422.139 where: short stacking energy: -607.335 Base-Backbone interact. energy: 6.521 local terms energy: -655.721913 where: bonds (distance) C4'-P energy: -147.635 bonds (distance) P-C4' energy: -157.974 flat angles C4'-P-C4' energy: -138.972 flat angles P-C4'-P energy: -87.930 tors. eta vs tors. theta energy: -123.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1709.640346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.640346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.640346 (E_RNA) where: Base-Base interactions energy: -1130.698 where: short stacking energy: -496.103 Base-Backbone interact. energy: -1.467 local terms energy: -577.475201 where: bonds (distance) C4'-P energy: -131.632 bonds (distance) P-C4' energy: -126.882 flat angles C4'-P-C4' energy: -138.528 flat angles P-C4'-P energy: -86.143 tors. eta vs tors. theta energy: -94.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1437.282986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.282986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.282986 (E_RNA) where: Base-Base interactions energy: -874.252 where: short stacking energy: -404.145 Base-Backbone interact. energy: 0.656 local terms energy: -563.687235 where: bonds (distance) C4'-P energy: -133.483 bonds (distance) P-C4' energy: -142.673 flat angles C4'-P-C4' energy: -152.612 flat angles P-C4'-P energy: -73.338 tors. eta vs tors. theta energy: -61.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1084.982560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.982560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.982560 (E_RNA) where: Base-Base interactions energy: -602.389 where: short stacking energy: -306.030 Base-Backbone interact. energy: 4.470 local terms energy: -487.063711 where: bonds (distance) C4'-P energy: -161.669 bonds (distance) P-C4' energy: -142.583 flat angles C4'-P-C4' energy: -93.502 flat angles P-C4'-P energy: -71.238 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3051.732747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.732747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.732747 (E_RNA) where: Base-Base interactions energy: -2150.085 where: short stacking energy: -869.065 Base-Backbone interact. energy: -4.320 local terms energy: -897.327753 where: bonds (distance) C4'-P energy: -170.037 bonds (distance) P-C4' energy: -157.400 flat angles C4'-P-C4' energy: -187.404 flat angles P-C4'-P energy: -137.629 tors. eta vs tors. theta energy: -244.858 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: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -2938.796373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.796373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.796373 (E_RNA) where: Base-Base interactions energy: -2054.900 where: short stacking energy: -892.281 Base-Backbone interact. energy: -1.431 local terms energy: -882.464700 where: bonds (distance) C4'-P energy: -152.812 bonds (distance) P-C4' energy: -162.905 flat angles C4'-P-C4' energy: -183.026 flat angles P-C4'-P energy: -117.971 tors. eta vs tors. theta energy: -265.751 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: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -2815.082552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.082552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.082552 (E_RNA) where: Base-Base interactions energy: -1966.379 where: short stacking energy: -857.429 Base-Backbone interact. energy: -5.341 local terms energy: -843.361899 where: bonds (distance) C4'-P energy: -160.064 bonds (distance) P-C4' energy: -156.328 flat angles C4'-P-C4' energy: -177.928 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -237.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2741.397903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.397903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.397903 (E_RNA) where: Base-Base interactions energy: -1913.690 where: short stacking energy: -853.332 Base-Backbone interact. energy: 0.557 local terms energy: -828.265170 where: bonds (distance) C4'-P energy: -130.359 bonds (distance) P-C4' energy: -156.886 flat angles C4'-P-C4' energy: -178.896 flat angles P-C4'-P energy: -125.302 tors. eta vs tors. theta energy: -236.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2541.031466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.031466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.031466 (E_RNA) where: Base-Base interactions energy: -1748.884 where: short stacking energy: -768.832 Base-Backbone interact. energy: 1.470 local terms energy: -793.617117 where: bonds (distance) C4'-P energy: -142.117 bonds (distance) P-C4' energy: -134.518 flat angles C4'-P-C4' energy: -190.956 flat angles P-C4'-P energy: -107.781 tors. eta vs tors. theta energy: -218.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2454.486723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.486723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.486723 (E_RNA) where: Base-Base interactions energy: -1726.691 where: short stacking energy: -720.201 Base-Backbone interact. energy: -0.102 local terms energy: -727.694137 where: bonds (distance) C4'-P energy: -141.034 bonds (distance) P-C4' energy: -145.068 flat angles C4'-P-C4' energy: -158.240 flat angles P-C4'-P energy: -106.842 tors. eta vs tors. theta energy: -176.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2045.308112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.308112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.308112 (E_RNA) where: Base-Base interactions energy: -1422.834 where: short stacking energy: -597.720 Base-Backbone interact. energy: -0.445 local terms energy: -622.028980 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -130.277 flat angles C4'-P-C4' energy: -155.962 flat angles P-C4'-P energy: -79.668 tors. eta vs tors. theta energy: -127.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1729.260581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.260581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.260581 (E_RNA) where: Base-Base interactions energy: -1161.878 where: short stacking energy: -504.052 Base-Backbone interact. energy: 0.566 local terms energy: -567.948512 where: bonds (distance) C4'-P energy: -132.924 bonds (distance) P-C4' energy: -116.340 flat angles C4'-P-C4' energy: -142.470 flat angles P-C4'-P energy: -77.936 tors. eta vs tors. theta energy: -98.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1401.208359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.208359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.208359 (E_RNA) where: Base-Base interactions energy: -891.584 where: short stacking energy: -413.093 Base-Backbone interact. energy: 5.105 local terms energy: -514.729248 where: bonds (distance) C4'-P energy: -120.308 bonds (distance) P-C4' energy: -115.666 flat angles C4'-P-C4' energy: -145.208 flat angles P-C4'-P energy: -82.111 tors. eta vs tors. theta energy: -51.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1149.128857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.128857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.128857 (E_RNA) where: Base-Base interactions energy: -676.465 where: short stacking energy: -329.445 Base-Backbone interact. energy: 2.563 local terms energy: -475.226958 where: bonds (distance) C4'-P energy: -138.782 bonds (distance) P-C4' energy: -132.493 flat angles C4'-P-C4' energy: -115.411 flat angles P-C4'-P energy: -80.974 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3062.950748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.950748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.950748 (E_RNA) where: Base-Base interactions energy: -2173.203 where: short stacking energy: -851.967 Base-Backbone interact. energy: -0.571 local terms energy: -889.176200 where: bonds (distance) C4'-P energy: -166.204 bonds (distance) P-C4' energy: -173.988 flat angles C4'-P-C4' energy: -192.987 flat angles P-C4'-P energy: -125.746 tors. eta vs tors. theta energy: -230.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -2904.140235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.140235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.140235 (E_RNA) where: Base-Base interactions energy: -2049.166 where: short stacking energy: -879.109 Base-Backbone interact. energy: -1.046 local terms energy: -853.928121 where: bonds (distance) C4'-P energy: -151.327 bonds (distance) P-C4' energy: -141.112 flat angles C4'-P-C4' energy: -185.899 flat angles P-C4'-P energy: -131.633 tors. eta vs tors. theta energy: -243.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2825.763760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.763760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.763760 (E_RNA) where: Base-Base interactions energy: -1997.862 where: short stacking energy: -859.054 Base-Backbone interact. energy: -4.120 local terms energy: -823.781989 where: bonds (distance) C4'-P energy: -144.764 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -181.656 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -246.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2723.926489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.926489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.926489 (E_RNA) where: Base-Base interactions energy: -1905.195 where: short stacking energy: -838.823 Base-Backbone interact. energy: 7.132 local terms energy: -825.863038 where: bonds (distance) C4'-P energy: -146.266 bonds (distance) P-C4' energy: -160.705 flat angles C4'-P-C4' energy: -172.433 flat angles P-C4'-P energy: -104.600 tors. eta vs tors. theta energy: -241.859 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: 3 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2544.065337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.065337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.065337 (E_RNA) where: Base-Base interactions energy: -1756.012 where: short stacking energy: -760.704 Base-Backbone interact. energy: -1.930 local terms energy: -786.123707 where: bonds (distance) C4'-P energy: -150.415 bonds (distance) P-C4' energy: -145.219 flat angles C4'-P-C4' energy: -157.678 flat angles P-C4'-P energy: -127.519 tors. eta vs tors. theta energy: -205.294 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: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2455.309421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.309421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.309421 (E_RNA) where: Base-Base interactions energy: -1719.641 where: short stacking energy: -707.178 Base-Backbone interact. energy: -1.949 local terms energy: -733.719890 where: bonds (distance) C4'-P energy: -147.580 bonds (distance) P-C4' energy: -131.997 flat angles C4'-P-C4' energy: -157.284 flat angles P-C4'-P energy: -107.930 tors. eta vs tors. theta energy: -188.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2078.906468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.906468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.906468 (E_RNA) where: Base-Base interactions energy: -1428.560 where: short stacking energy: -637.577 Base-Backbone interact. energy: 1.564 local terms energy: -651.910698 where: bonds (distance) C4'-P energy: -130.817 bonds (distance) P-C4' energy: -116.754 flat angles C4'-P-C4' energy: -162.598 flat angles P-C4'-P energy: -89.107 tors. eta vs tors. theta energy: -152.635 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: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1575.403070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.403070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.403070 (E_RNA) where: Base-Base interactions energy: -999.441 where: short stacking energy: -449.784 Base-Backbone interact. energy: -1.996 local terms energy: -573.966119 where: bonds (distance) C4'-P energy: -140.266 bonds (distance) P-C4' energy: -141.038 flat angles C4'-P-C4' energy: -144.445 flat angles P-C4'-P energy: -60.046 tors. eta vs tors. theta energy: -88.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1486.093251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.093251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.093251 (E_RNA) where: Base-Base interactions energy: -934.453 where: short stacking energy: -414.011 Base-Backbone interact. energy: -3.117 local terms energy: -548.523335 where: bonds (distance) C4'-P energy: -125.522 bonds (distance) P-C4' energy: -141.863 flat angles C4'-P-C4' energy: -126.624 flat angles P-C4'-P energy: -105.139 tors. eta vs tors. theta energy: -49.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1176.138809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.138809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.138809 (E_RNA) where: Base-Base interactions energy: -690.493 where: short stacking energy: -339.563 Base-Backbone interact. energy: 1.839 local terms energy: -487.484414 where: bonds (distance) C4'-P energy: -129.954 bonds (distance) P-C4' energy: -137.158 flat angles C4'-P-C4' energy: -134.920 flat angles P-C4'-P energy: -58.947 tors. eta vs tors. theta energy: -26.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3090.627383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.627383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.627383 (E_RNA) where: Base-Base interactions energy: -2201.507 where: short stacking energy: -888.054 Base-Backbone interact. energy: -1.924 local terms energy: -887.195837 where: bonds (distance) C4'-P energy: -154.721 bonds (distance) P-C4' energy: -161.628 flat angles C4'-P-C4' energy: -204.853 flat angles P-C4'-P energy: -119.056 tors. eta vs tors. theta energy: -246.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -2925.703653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.703653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.703653 (E_RNA) where: Base-Base interactions energy: -2041.659 where: short stacking energy: -873.049 Base-Backbone interact. energy: 1.345 local terms energy: -885.389329 where: bonds (distance) C4'-P energy: -165.218 bonds (distance) P-C4' energy: -167.375 flat angles C4'-P-C4' energy: -187.225 flat angles P-C4'-P energy: -123.150 tors. eta vs tors. theta energy: -242.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2811.655556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.655556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.655556 (E_RNA) where: Base-Base interactions energy: -1934.974 where: short stacking energy: -820.339 Base-Backbone interact. energy: -2.195 local terms energy: -874.486332 where: bonds (distance) C4'-P energy: -171.116 bonds (distance) P-C4' energy: -158.325 flat angles C4'-P-C4' energy: -174.137 flat angles P-C4'-P energy: -131.309 tors. eta vs tors. theta energy: -239.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2734.447186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.447186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.447186 (E_RNA) where: Base-Base interactions energy: -1881.929 where: short stacking energy: -793.504 Base-Backbone interact. energy: -1.749 local terms energy: -850.769930 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -162.826 flat angles C4'-P-C4' energy: -177.976 flat angles P-C4'-P energy: -107.488 tors. eta vs tors. theta energy: -246.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2527.466481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.466481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.466481 (E_RNA) where: Base-Base interactions energy: -1746.188 where: short stacking energy: -789.734 Base-Backbone interact. energy: 1.550 local terms energy: -782.827615 where: bonds (distance) C4'-P energy: -144.139 bonds (distance) P-C4' energy: -131.953 flat angles C4'-P-C4' energy: -168.141 flat angles P-C4'-P energy: -109.409 tors. eta vs tors. theta energy: -229.186 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: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2498.908603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.908603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.908603 (E_RNA) where: Base-Base interactions energy: -1756.778 where: short stacking energy: -718.149 Base-Backbone interact. energy: 5.468 local terms energy: -747.598423 where: bonds (distance) C4'-P energy: -137.665 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -173.681 flat angles P-C4'-P energy: -109.918 tors. eta vs tors. theta energy: -184.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2091.034266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.034266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.034266 (E_RNA) where: Base-Base interactions energy: -1425.005 where: short stacking energy: -612.994 Base-Backbone interact. energy: 8.790 local terms energy: -674.818858 where: bonds (distance) C4'-P energy: -143.404 bonds (distance) P-C4' energy: -158.292 flat angles C4'-P-C4' energy: -134.643 flat angles P-C4'-P energy: -87.139 tors. eta vs tors. theta energy: -151.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1655.738542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.738542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.738542 (E_RNA) where: Base-Base interactions energy: -1091.132 where: short stacking energy: -474.830 Base-Backbone interact. energy: 5.146 local terms energy: -569.753060 where: bonds (distance) C4'-P energy: -151.066 bonds (distance) P-C4' energy: -123.238 flat angles C4'-P-C4' energy: -126.105 flat angles P-C4'-P energy: -85.523 tors. eta vs tors. theta energy: -83.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1549.162855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.162855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.162855 (E_RNA) where: Base-Base interactions energy: -1006.026 where: short stacking energy: -475.438 Base-Backbone interact. energy: 1.136 local terms energy: -544.273221 where: bonds (distance) C4'-P energy: -127.619 bonds (distance) P-C4' energy: -116.439 flat angles C4'-P-C4' energy: -136.616 flat angles P-C4'-P energy: -72.721 tors. eta vs tors. theta energy: -90.879 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: 10, replica: 4 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1167.382687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.382687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.382687 (E_RNA) where: Base-Base interactions energy: -677.490 where: short stacking energy: -349.266 Base-Backbone interact. energy: -1.209 local terms energy: -488.683312 where: bonds (distance) C4'-P energy: -122.889 bonds (distance) P-C4' energy: -137.765 flat angles C4'-P-C4' energy: -115.332 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -44.693 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: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3097.203902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.203902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.203902 (E_RNA) where: Base-Base interactions energy: -2196.452 where: short stacking energy: -896.356 Base-Backbone interact. energy: -1.535 local terms energy: -899.216892 where: bonds (distance) C4'-P energy: -169.637 bonds (distance) P-C4' energy: -164.177 flat angles C4'-P-C4' energy: -193.303 flat angles P-C4'-P energy: -118.381 tors. eta vs tors. theta energy: -253.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -2903.009610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.009610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.009610 (E_RNA) where: Base-Base interactions energy: -2017.374 where: short stacking energy: -878.126 Base-Backbone interact. energy: -1.171 local terms energy: -884.464539 where: bonds (distance) C4'-P energy: -165.755 bonds (distance) P-C4' energy: -152.470 flat angles C4'-P-C4' energy: -186.309 flat angles P-C4'-P energy: -132.747 tors. eta vs tors. theta energy: -247.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2799.620518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.620518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.620518 (E_RNA) where: Base-Base interactions energy: -1959.433 where: short stacking energy: -848.069 Base-Backbone interact. energy: 0.103 local terms energy: -840.290682 where: bonds (distance) C4'-P energy: -151.026 bonds (distance) P-C4' energy: -156.606 flat angles C4'-P-C4' energy: -180.121 flat angles P-C4'-P energy: -113.725 tors. eta vs tors. theta energy: -238.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2705.519932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.519932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.519932 (E_RNA) where: Base-Base interactions energy: -1862.189 where: short stacking energy: -798.543 Base-Backbone interact. energy: -2.587 local terms energy: -840.744678 where: bonds (distance) C4'-P energy: -158.312 bonds (distance) P-C4' energy: -157.569 flat angles C4'-P-C4' energy: -172.518 flat angles P-C4'-P energy: -118.658 tors. eta vs tors. theta energy: -233.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2475.033113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.033113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.033113 (E_RNA) where: Base-Base interactions energy: -1711.260 where: short stacking energy: -752.307 Base-Backbone interact. energy: -0.543 local terms energy: -763.230402 where: bonds (distance) C4'-P energy: -153.407 bonds (distance) P-C4' energy: -136.615 flat angles C4'-P-C4' energy: -168.270 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -198.152 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: 7 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2384.226126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.226126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.226126 (E_RNA) where: Base-Base interactions energy: -1675.355 where: short stacking energy: -692.843 Base-Backbone interact. energy: -4.764 local terms energy: -704.106492 where: bonds (distance) C4'-P energy: -137.402 bonds (distance) P-C4' energy: -135.117 flat angles C4'-P-C4' energy: -171.131 flat angles P-C4'-P energy: -76.287 tors. eta vs tors. theta energy: -184.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2029.224681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.224681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.224681 (E_RNA) where: Base-Base interactions energy: -1360.238 where: short stacking energy: -581.634 Base-Backbone interact. energy: 2.230 local terms energy: -671.216067 where: bonds (distance) C4'-P energy: -147.714 bonds (distance) P-C4' energy: -144.044 flat angles C4'-P-C4' energy: -152.139 flat angles P-C4'-P energy: -95.361 tors. eta vs tors. theta energy: -131.958 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: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1647.775183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.775183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.775183 (E_RNA) where: Base-Base interactions energy: -1056.186 where: short stacking energy: -459.675 Base-Backbone interact. energy: 4.150 local terms energy: -595.739266 where: bonds (distance) C4'-P energy: -116.374 bonds (distance) P-C4' energy: -146.375 flat angles C4'-P-C4' energy: -159.895 flat angles P-C4'-P energy: -77.264 tors. eta vs tors. theta energy: -95.831 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: 8 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1466.236085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.236085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.236085 (E_RNA) where: Base-Base interactions energy: -906.839 where: short stacking energy: -418.340 Base-Backbone interact. energy: 0.244 local terms energy: -559.641362 where: bonds (distance) C4'-P energy: -116.365 bonds (distance) P-C4' energy: -139.880 flat angles C4'-P-C4' energy: -142.753 flat angles P-C4'-P energy: -99.056 tors. eta vs tors. theta energy: -61.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1123.535136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.535136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.535136 (E_RNA) where: Base-Base interactions energy: -645.916 where: short stacking energy: -305.791 Base-Backbone interact. energy: -2.038 local terms energy: -475.580491 where: bonds (distance) C4'-P energy: -121.477 bonds (distance) P-C4' energy: -144.510 flat angles C4'-P-C4' energy: -111.265 flat angles P-C4'-P energy: -74.755 tors. eta vs tors. theta energy: -23.573 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: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3094.744306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.744306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.744306 (E_RNA) where: Base-Base interactions energy: -2187.955 where: short stacking energy: -900.237 Base-Backbone interact. energy: -4.641 local terms energy: -902.148297 where: bonds (distance) C4'-P energy: -169.151 bonds (distance) P-C4' energy: -170.225 flat angles C4'-P-C4' energy: -187.845 flat angles P-C4'-P energy: -122.274 tors. eta vs tors. theta energy: -252.654 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: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -2888.529886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.529886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.529886 (E_RNA) where: Base-Base interactions energy: -2045.114 where: short stacking energy: -893.689 Base-Backbone interact. energy: 0.184 local terms energy: -843.599533 where: bonds (distance) C4'-P energy: -136.992 bonds (distance) P-C4' energy: -150.583 flat angles C4'-P-C4' energy: -192.546 flat angles P-C4'-P energy: -114.170 tors. eta vs tors. theta energy: -249.309 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: 3, replica: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2808.797896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.797896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.797896 (E_RNA) where: Base-Base interactions energy: -1927.439 where: short stacking energy: -835.940 Base-Backbone interact. energy: -2.684 local terms energy: -878.675133 where: bonds (distance) C4'-P energy: -141.166 bonds (distance) P-C4' energy: -169.189 flat angles C4'-P-C4' energy: -189.103 flat angles P-C4'-P energy: -139.149 tors. eta vs tors. theta energy: -240.068 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: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2734.134357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.134357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.134357 (E_RNA) where: Base-Base interactions energy: -1893.296 where: short stacking energy: -813.049 Base-Backbone interact. energy: -1.245 local terms energy: -839.593237 where: bonds (distance) C4'-P energy: -167.317 bonds (distance) P-C4' energy: -153.967 flat angles C4'-P-C4' energy: -178.891 flat angles P-C4'-P energy: -98.056 tors. eta vs tors. theta energy: -241.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2467.477290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.477290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.477290 (E_RNA) where: Base-Base interactions energy: -1683.658 where: short stacking energy: -733.889 Base-Backbone interact. energy: -3.031 local terms energy: -780.788064 where: bonds (distance) C4'-P energy: -132.464 bonds (distance) P-C4' energy: -137.750 flat angles C4'-P-C4' energy: -188.039 flat angles P-C4'-P energy: -108.554 tors. eta vs tors. theta energy: -213.980 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: 7 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2438.011752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.011752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.011752 (E_RNA) where: Base-Base interactions energy: -1710.455 where: short stacking energy: -690.374 Base-Backbone interact. energy: -1.204 local terms energy: -726.352508 where: bonds (distance) C4'-P energy: -141.741 bonds (distance) P-C4' energy: -125.621 flat angles C4'-P-C4' energy: -159.300 flat angles P-C4'-P energy: -110.004 tors. eta vs tors. theta energy: -189.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1926.480730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1926.480730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1926.480730 (E_RNA) where: Base-Base interactions energy: -1299.858 where: short stacking energy: -551.891 Base-Backbone interact. energy: 6.726 local terms energy: -633.349141 where: bonds (distance) C4'-P energy: -140.463 bonds (distance) P-C4' energy: -132.552 flat angles C4'-P-C4' energy: -135.776 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -121.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1711.370984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.370984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.370984 (E_RNA) where: Base-Base interactions energy: -1100.463 where: short stacking energy: -474.752 Base-Backbone interact. energy: -2.919 local terms energy: -607.988378 where: bonds (distance) C4'-P energy: -149.616 bonds (distance) P-C4' energy: -144.281 flat angles C4'-P-C4' energy: -155.115 flat angles P-C4'-P energy: -76.865 tors. eta vs tors. theta energy: -82.111 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: 366 Temperature: 1.300000 Total energy: -1523.631693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.631693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.631693 (E_RNA) where: Base-Base interactions energy: -1001.844 where: short stacking energy: -461.007 Base-Backbone interact. energy: 6.044 local terms energy: -527.831676 where: bonds (distance) C4'-P energy: -127.900 bonds (distance) P-C4' energy: -129.590 flat angles C4'-P-C4' energy: -136.042 flat angles P-C4'-P energy: -58.518 tors. eta vs tors. theta energy: -75.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1124.761153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.761153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.761153 (E_RNA) where: Base-Base interactions energy: -626.532 where: short stacking energy: -310.478 Base-Backbone interact. energy: -1.183 local terms energy: -497.045742 where: bonds (distance) C4'-P energy: -153.524 bonds (distance) P-C4' energy: -127.552 flat angles C4'-P-C4' energy: -116.908 flat angles P-C4'-P energy: -83.519 tors. eta vs tors. theta energy: -15.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3045.813145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.813145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.813145 (E_RNA) where: Base-Base interactions energy: -2144.293 where: short stacking energy: -876.765 Base-Backbone interact. energy: -1.179 local terms energy: -900.341650 where: bonds (distance) C4'-P energy: -160.252 bonds (distance) P-C4' energy: -166.236 flat angles C4'-P-C4' energy: -195.706 flat angles P-C4'-P energy: -126.615 tors. eta vs tors. theta energy: -251.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -2893.498935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.498935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.498935 (E_RNA) where: Base-Base interactions energy: -2034.787 where: short stacking energy: -884.538 Base-Backbone interact. energy: 0.598 local terms energy: -859.309986 where: bonds (distance) C4'-P energy: -142.938 bonds (distance) P-C4' energy: -175.198 flat angles C4'-P-C4' energy: -181.057 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -240.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -2786.209394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.209394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.209394 (E_RNA) where: Base-Base interactions energy: -1950.659 where: short stacking energy: -830.211 Base-Backbone interact. energy: -0.388 local terms energy: -835.162083 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -149.761 flat angles C4'-P-C4' energy: -188.704 flat angles P-C4'-P energy: -122.435 tors. eta vs tors. theta energy: -238.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2772.042897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.042897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.042897 (E_RNA) where: Base-Base interactions energy: -1944.812 where: short stacking energy: -827.220 Base-Backbone interact. energy: -1.580 local terms energy: -825.650695 where: bonds (distance) C4'-P energy: -159.282 bonds (distance) P-C4' energy: -147.647 flat angles C4'-P-C4' energy: -174.275 flat angles P-C4'-P energy: -106.064 tors. eta vs tors. theta energy: -238.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2474.968703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.968703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.968703 (E_RNA) where: Base-Base interactions energy: -1699.148 where: short stacking energy: -758.618 Base-Backbone interact. energy: -1.699 local terms energy: -774.121577 where: bonds (distance) C4'-P energy: -140.050 bonds (distance) P-C4' energy: -144.737 flat angles C4'-P-C4' energy: -170.791 flat angles P-C4'-P energy: -106.593 tors. eta vs tors. theta energy: -211.950 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: 7 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2455.545538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.545538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.545538 (E_RNA) where: Base-Base interactions energy: -1714.620 where: short stacking energy: -732.514 Base-Backbone interact. energy: -1.302 local terms energy: -739.623387 where: bonds (distance) C4'-P energy: -133.728 bonds (distance) P-C4' energy: -157.189 flat angles C4'-P-C4' energy: -159.708 flat angles P-C4'-P energy: -93.336 tors. eta vs tors. theta energy: -195.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1983.783052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.783052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.783052 (E_RNA) where: Base-Base interactions energy: -1392.367 where: short stacking energy: -599.017 Base-Backbone interact. energy: -2.576 local terms energy: -588.839819 where: bonds (distance) C4'-P energy: -131.328 bonds (distance) P-C4' energy: -114.998 flat angles C4'-P-C4' energy: -130.273 flat angles P-C4'-P energy: -92.257 tors. eta vs tors. theta energy: -119.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1644.749195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.749195 (E_RNA) where: Base-Base interactions energy: -1096.717 where: short stacking energy: -484.678 Base-Backbone interact. energy: -1.498 local terms energy: -546.534041 where: bonds (distance) C4'-P energy: -117.760 bonds (distance) P-C4' energy: -140.230 flat angles C4'-P-C4' energy: -121.143 flat angles P-C4'-P energy: -82.541 tors. eta vs tors. theta energy: -84.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1503.883156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.883156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.883156 (E_RNA) where: Base-Base interactions energy: -924.146 where: short stacking energy: -448.429 Base-Backbone interact. energy: 2.252 local terms energy: -581.989324 where: bonds (distance) C4'-P energy: -146.453 bonds (distance) P-C4' energy: -147.326 flat angles C4'-P-C4' energy: -128.153 flat angles P-C4'-P energy: -75.879 tors. eta vs tors. theta energy: -84.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1167.475209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.475209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.475209 (E_RNA) where: Base-Base interactions energy: -704.648 where: short stacking energy: -341.040 Base-Backbone interact. energy: -4.170 local terms energy: -458.657809 where: bonds (distance) C4'-P energy: -122.015 bonds (distance) P-C4' energy: -131.600 flat angles C4'-P-C4' energy: -120.407 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -37.680 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: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3054.670711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.670711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.670711 (E_RNA) where: Base-Base interactions energy: -2153.940 where: short stacking energy: -871.262 Base-Backbone interact. energy: -4.615 local terms energy: -896.115402 where: bonds (distance) C4'-P energy: -167.105 bonds (distance) P-C4' energy: -174.750 flat angles C4'-P-C4' energy: -197.194 flat angles P-C4'-P energy: -112.608 tors. eta vs tors. theta energy: -244.458 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: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -2921.115618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.115618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.115618 (E_RNA) where: Base-Base interactions energy: -2027.908 where: short stacking energy: -873.011 Base-Backbone interact. energy: -3.837 local terms energy: -889.371021 where: bonds (distance) C4'-P energy: -165.056 bonds (distance) P-C4' energy: -165.307 flat angles C4'-P-C4' energy: -182.621 flat angles P-C4'-P energy: -123.192 tors. eta vs tors. theta energy: -253.195 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: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -2822.106755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.106755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.106755 (E_RNA) where: Base-Base interactions energy: -1964.722 where: short stacking energy: -862.934 Base-Backbone interact. energy: -5.707 local terms energy: -851.677424 where: bonds (distance) C4'-P energy: -163.125 bonds (distance) P-C4' energy: -155.454 flat angles C4'-P-C4' energy: -186.507 flat angles P-C4'-P energy: -104.513 tors. eta vs tors. theta energy: -242.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2700.127065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.127065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.127065 (E_RNA) where: Base-Base interactions energy: -1871.662 where: short stacking energy: -791.628 Base-Backbone interact. energy: -1.033 local terms energy: -827.432601 where: bonds (distance) C4'-P energy: -155.199 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -170.111 flat angles P-C4'-P energy: -111.332 tors. eta vs tors. theta energy: -235.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2491.459247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.459247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.459247 (E_RNA) where: Base-Base interactions energy: -1703.267 where: short stacking energy: -725.208 Base-Backbone interact. energy: -4.149 local terms energy: -784.042887 where: bonds (distance) C4'-P energy: -146.345 bonds (distance) P-C4' energy: -142.052 flat angles C4'-P-C4' energy: -177.964 flat angles P-C4'-P energy: -111.683 tors. eta vs tors. theta energy: -205.998 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: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2450.712263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.712263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.712263 (E_RNA) where: Base-Base interactions energy: -1682.598 where: short stacking energy: -724.380 Base-Backbone interact. energy: -4.292 local terms energy: -763.822090 where: bonds (distance) C4'-P energy: -137.316 bonds (distance) P-C4' energy: -158.981 flat angles C4'-P-C4' energy: -164.712 flat angles P-C4'-P energy: -91.424 tors. eta vs tors. theta energy: -211.390 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: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2001.070503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.070503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.070503 (E_RNA) where: Base-Base interactions energy: -1364.747 where: short stacking energy: -592.612 Base-Backbone interact. energy: 3.902 local terms energy: -640.225300 where: bonds (distance) C4'-P energy: -131.528 bonds (distance) P-C4' energy: -134.340 flat angles C4'-P-C4' energy: -154.803 flat angles P-C4'-P energy: -90.817 tors. eta vs tors. theta energy: -128.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1763.994303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.994303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.994303 (E_RNA) where: Base-Base interactions energy: -1176.425 where: short stacking energy: -519.741 Base-Backbone interact. energy: 2.313 local terms energy: -589.882670 where: bonds (distance) C4'-P energy: -108.949 bonds (distance) P-C4' energy: -135.160 flat angles C4'-P-C4' energy: -134.428 flat angles P-C4'-P energy: -102.598 tors. eta vs tors. theta energy: -108.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1539.570311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.570311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.570311 (E_RNA) where: Base-Base interactions energy: -986.391 where: short stacking energy: -446.968 Base-Backbone interact. energy: 0.863 local terms energy: -554.042454 where: bonds (distance) C4'-P energy: -131.810 bonds (distance) P-C4' energy: -121.847 flat angles C4'-P-C4' energy: -140.251 flat angles P-C4'-P energy: -83.136 tors. eta vs tors. theta energy: -76.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1219.302850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.302850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.302850 (E_RNA) where: Base-Base interactions energy: -731.050 where: short stacking energy: -325.495 Base-Backbone interact. energy: -0.798 local terms energy: -487.454092 where: bonds (distance) C4'-P energy: -129.133 bonds (distance) P-C4' energy: -131.639 flat angles C4'-P-C4' energy: -135.170 flat angles P-C4'-P energy: -78.232 tors. eta vs tors. theta energy: -13.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3053.789852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.789852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.789852 (E_RNA) where: Base-Base interactions energy: -2173.867 where: short stacking energy: -884.627 Base-Backbone interact. energy: -2.821 local terms energy: -877.101435 where: bonds (distance) C4'-P energy: -154.540 bonds (distance) P-C4' energy: -159.050 flat angles C4'-P-C4' energy: -200.270 flat angles P-C4'-P energy: -120.489 tors. eta vs tors. theta energy: -242.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -2910.459574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.459574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.459574 (E_RNA) where: Base-Base interactions energy: -2039.762 where: short stacking energy: -899.074 Base-Backbone interact. energy: -0.379 local terms energy: -870.318501 where: bonds (distance) C4'-P energy: -149.964 bonds (distance) P-C4' energy: -164.166 flat angles C4'-P-C4' energy: -180.739 flat angles P-C4'-P energy: -116.598 tors. eta vs tors. theta energy: -258.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -2828.099153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.099153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.099153 (E_RNA) where: Base-Base interactions energy: -1969.151 where: short stacking energy: -878.845 Base-Backbone interact. energy: 1.052 local terms energy: -859.999707 where: bonds (distance) C4'-P energy: -157.360 bonds (distance) P-C4' energy: -166.838 flat angles C4'-P-C4' energy: -182.078 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -244.523 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: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2753.958616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.958616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.958616 (E_RNA) where: Base-Base interactions energy: -1950.208 where: short stacking energy: -808.347 Base-Backbone interact. energy: 0.251 local terms energy: -804.002376 where: bonds (distance) C4'-P energy: -139.871 bonds (distance) P-C4' energy: -155.233 flat angles C4'-P-C4' energy: -184.403 flat angles P-C4'-P energy: -103.202 tors. eta vs tors. theta energy: -221.293 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: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2528.602548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.602548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.602548 (E_RNA) where: Base-Base interactions energy: -1782.773 where: short stacking energy: -762.941 Base-Backbone interact. energy: -4.814 local terms energy: -741.015999 where: bonds (distance) C4'-P energy: -137.076 bonds (distance) P-C4' energy: -124.344 flat angles C4'-P-C4' energy: -170.095 flat angles P-C4'-P energy: -101.990 tors. eta vs tors. theta energy: -207.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2472.039752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.039752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.039752 (E_RNA) where: Base-Base interactions energy: -1713.994 where: short stacking energy: -766.619 Base-Backbone interact. energy: -1.332 local terms energy: -756.714326 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -140.199 flat angles C4'-P-C4' energy: -163.367 flat angles P-C4'-P energy: -111.191 tors. eta vs tors. theta energy: -209.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2135.111470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.111470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.111470 (E_RNA) where: Base-Base interactions energy: -1450.670 where: short stacking energy: -630.362 Base-Backbone interact. energy: -2.177 local terms energy: -682.264507 where: bonds (distance) C4'-P energy: -90.446 bonds (distance) P-C4' energy: -162.414 flat angles C4'-P-C4' energy: -170.399 flat angles P-C4'-P energy: -117.274 tors. eta vs tors. theta energy: -141.732 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: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1756.822108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.822108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.822108 (E_RNA) where: Base-Base interactions energy: -1173.355 where: short stacking energy: -488.070 Base-Backbone interact. energy: -2.875 local terms energy: -580.592781 where: bonds (distance) C4'-P energy: -127.862 bonds (distance) P-C4' energy: -130.117 flat angles C4'-P-C4' energy: -154.034 flat angles P-C4'-P energy: -70.201 tors. eta vs tors. theta energy: -98.378 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: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1593.477302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.477302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.477302 (E_RNA) where: Base-Base interactions energy: -1011.145 where: short stacking energy: -481.960 Base-Backbone interact. energy: -8.264 local terms energy: -574.068762 where: bonds (distance) C4'-P energy: -134.096 bonds (distance) P-C4' energy: -131.271 flat angles C4'-P-C4' energy: -131.421 flat angles P-C4'-P energy: -84.293 tors. eta vs tors. theta energy: -92.988 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: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1206.354314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.354314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.354314 (E_RNA) where: Base-Base interactions energy: -715.763 where: short stacking energy: -351.156 Base-Backbone interact. energy: 0.081 local terms energy: -490.672400 where: bonds (distance) C4'-P energy: -140.475 bonds (distance) P-C4' energy: -138.708 flat angles C4'-P-C4' energy: -116.837 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -33.522 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: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3036.194959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.194959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.194959 (E_RNA) where: Base-Base interactions energy: -2149.828 where: short stacking energy: -909.676 Base-Backbone interact. energy: -0.323 local terms energy: -886.043635 where: bonds (distance) C4'-P energy: -148.439 bonds (distance) P-C4' energy: -166.095 flat angles C4'-P-C4' energy: -179.715 flat angles P-C4'-P energy: -137.510 tors. eta vs tors. theta energy: -254.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -2932.374893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.374893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.374893 (E_RNA) where: Base-Base interactions energy: -2058.722 where: short stacking energy: -875.566 Base-Backbone interact. energy: -3.131 local terms energy: -870.521336 where: bonds (distance) C4'-P energy: -138.751 bonds (distance) P-C4' energy: -165.033 flat angles C4'-P-C4' energy: -194.531 flat angles P-C4'-P energy: -126.462 tors. eta vs tors. theta energy: -245.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -2837.812342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.812342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.812342 (E_RNA) where: Base-Base interactions energy: -1966.726 where: short stacking energy: -860.468 Base-Backbone interact. energy: -1.352 local terms energy: -869.734143 where: bonds (distance) C4'-P energy: -166.016 bonds (distance) P-C4' energy: -163.310 flat angles C4'-P-C4' energy: -184.954 flat angles P-C4'-P energy: -116.211 tors. eta vs tors. theta energy: -239.244 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: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2730.491801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.491801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.491801 (E_RNA) where: Base-Base interactions energy: -1919.447 where: short stacking energy: -843.897 Base-Backbone interact. energy: 1.109 local terms energy: -812.153976 where: bonds (distance) C4'-P energy: -135.681 bonds (distance) P-C4' energy: -137.326 flat angles C4'-P-C4' energy: -172.028 flat angles P-C4'-P energy: -123.465 tors. eta vs tors. theta energy: -243.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2536.917091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.917091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.917091 (E_RNA) where: Base-Base interactions energy: -1784.203 where: short stacking energy: -745.570 Base-Backbone interact. energy: -0.071 local terms energy: -752.643378 where: bonds (distance) C4'-P energy: -131.460 bonds (distance) P-C4' energy: -142.218 flat angles C4'-P-C4' energy: -167.856 flat angles P-C4'-P energy: -107.562 tors. eta vs tors. theta energy: -203.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2478.244755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.244755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.244755 (E_RNA) where: Base-Base interactions energy: -1707.725 where: short stacking energy: -751.508 Base-Backbone interact. energy: 1.073 local terms energy: -771.592040 where: bonds (distance) C4'-P energy: -134.520 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -113.151 tors. eta vs tors. theta energy: -209.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2051.762014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.762014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.762014 (E_RNA) where: Base-Base interactions energy: -1396.719 where: short stacking energy: -598.513 Base-Backbone interact. energy: 2.658 local terms energy: -657.701062 where: bonds (distance) C4'-P energy: -133.605 bonds (distance) P-C4' energy: -159.187 flat angles C4'-P-C4' energy: -149.450 flat angles P-C4'-P energy: -94.284 tors. eta vs tors. theta energy: -121.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1756.090498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.090498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.090498 (E_RNA) where: Base-Base interactions energy: -1125.889 where: short stacking energy: -521.815 Base-Backbone interact. energy: 6.378 local terms energy: -636.579844 where: bonds (distance) C4'-P energy: -134.374 bonds (distance) P-C4' energy: -146.418 flat angles C4'-P-C4' energy: -153.888 flat angles P-C4'-P energy: -94.798 tors. eta vs tors. theta energy: -107.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1504.397455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.397455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.397455 (E_RNA) where: Base-Base interactions energy: -960.156 where: short stacking energy: -442.930 Base-Backbone interact. energy: 3.498 local terms energy: -547.738977 where: bonds (distance) C4'-P energy: -125.579 bonds (distance) P-C4' energy: -148.298 flat angles C4'-P-C4' energy: -136.005 flat angles P-C4'-P energy: -61.034 tors. eta vs tors. theta energy: -76.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1179.560173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.560173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.560173 (E_RNA) where: Base-Base interactions energy: -706.582 where: short stacking energy: -363.390 Base-Backbone interact. energy: 6.494 local terms energy: -479.472796 where: bonds (distance) C4'-P energy: -126.214 bonds (distance) P-C4' energy: -127.554 flat angles C4'-P-C4' energy: -112.887 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -47.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3054.049725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.049725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.049725 (E_RNA) where: Base-Base interactions energy: -2168.365 where: short stacking energy: -886.274 Base-Backbone interact. energy: -0.359 local terms energy: -885.325113 where: bonds (distance) C4'-P energy: -163.575 bonds (distance) P-C4' energy: -161.667 flat angles C4'-P-C4' energy: -186.266 flat angles P-C4'-P energy: -123.638 tors. eta vs tors. theta energy: -250.179 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: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -2938.113814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.113814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.113814 (E_RNA) where: Base-Base interactions energy: -2043.644 where: short stacking energy: -908.388 Base-Backbone interact. energy: -0.698 local terms energy: -893.771532 where: bonds (distance) C4'-P energy: -167.306 bonds (distance) P-C4' energy: -144.169 flat angles C4'-P-C4' energy: -199.027 flat angles P-C4'-P energy: -137.730 tors. eta vs tors. theta energy: -245.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -2830.900095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.900095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.900095 (E_RNA) where: Base-Base interactions energy: -1996.434 where: short stacking energy: -857.458 Base-Backbone interact. energy: 1.092 local terms energy: -835.557862 where: bonds (distance) C4'-P energy: -158.500 bonds (distance) P-C4' energy: -137.947 flat angles C4'-P-C4' energy: -174.639 flat angles P-C4'-P energy: -126.906 tors. eta vs tors. theta energy: -237.566 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: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2778.632555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.632555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.632555 (E_RNA) where: Base-Base interactions energy: -1962.521 where: short stacking energy: -864.771 Base-Backbone interact. energy: -2.552 local terms energy: -813.559263 where: bonds (distance) C4'-P energy: -147.341 bonds (distance) P-C4' energy: -143.896 flat angles C4'-P-C4' energy: -186.323 flat angles P-C4'-P energy: -103.432 tors. eta vs tors. theta energy: -232.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2525.669838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.669838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.669838 (E_RNA) where: Base-Base interactions energy: -1757.872 where: short stacking energy: -769.682 Base-Backbone interact. energy: -1.470 local terms energy: -766.328254 where: bonds (distance) C4'-P energy: -140.958 bonds (distance) P-C4' energy: -150.564 flat angles C4'-P-C4' energy: -165.739 flat angles P-C4'-P energy: -107.612 tors. eta vs tors. theta energy: -201.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2433.043636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.043636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.043636 (E_RNA) where: Base-Base interactions energy: -1653.862 where: short stacking energy: -742.230 Base-Backbone interact. energy: -4.111 local terms energy: -775.070497 where: bonds (distance) C4'-P energy: -153.193 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -168.814 flat angles P-C4'-P energy: -103.563 tors. eta vs tors. theta energy: -204.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2021.677046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.677046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.677046 (E_RNA) where: Base-Base interactions energy: -1365.114 where: short stacking energy: -592.835 Base-Backbone interact. energy: -2.057 local terms energy: -654.505430 where: bonds (distance) C4'-P energy: -123.022 bonds (distance) P-C4' energy: -157.988 flat angles C4'-P-C4' energy: -157.957 flat angles P-C4'-P energy: -76.220 tors. eta vs tors. theta energy: -139.318 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: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1724.608168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.608168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.608168 (E_RNA) where: Base-Base interactions energy: -1165.466 where: short stacking energy: -460.679 Base-Backbone interact. energy: -1.600 local terms energy: -557.542685 where: bonds (distance) C4'-P energy: -104.556 bonds (distance) P-C4' energy: -159.894 flat angles C4'-P-C4' energy: -136.808 flat angles P-C4'-P energy: -94.664 tors. eta vs tors. theta energy: -61.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1537.292987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.292987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.292987 (E_RNA) where: Base-Base interactions energy: -969.950 where: short stacking energy: -445.048 Base-Backbone interact. energy: -0.536 local terms energy: -566.806417 where: bonds (distance) C4'-P energy: -136.215 bonds (distance) P-C4' energy: -127.511 flat angles C4'-P-C4' energy: -136.308 flat angles P-C4'-P energy: -100.305 tors. eta vs tors. theta energy: -66.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1104.183165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.183165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.183165 (E_RNA) where: Base-Base interactions energy: -677.157 where: short stacking energy: -339.221 Base-Backbone interact. energy: 6.538 local terms energy: -433.563672 where: bonds (distance) C4'-P energy: -90.391 bonds (distance) P-C4' energy: -128.427 flat angles C4'-P-C4' energy: -113.277 flat angles P-C4'-P energy: -82.541 tors. eta vs tors. theta energy: -18.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3021.526289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.526289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.526289 (E_RNA) where: Base-Base interactions energy: -2141.668 where: short stacking energy: -901.272 Base-Backbone interact. energy: -0.648 local terms energy: -879.210646 where: bonds (distance) C4'-P energy: -151.631 bonds (distance) P-C4' energy: -166.067 flat angles C4'-P-C4' energy: -191.546 flat angles P-C4'-P energy: -113.271 tors. eta vs tors. theta energy: -256.695 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: 1 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -2907.084883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.084883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.084883 (E_RNA) where: Base-Base interactions energy: -2028.955 where: short stacking energy: -874.335 Base-Backbone interact. energy: -2.098 local terms energy: -876.031849 where: bonds (distance) C4'-P energy: -158.466 bonds (distance) P-C4' energy: -159.635 flat angles C4'-P-C4' energy: -192.591 flat angles P-C4'-P energy: -115.459 tors. eta vs tors. theta energy: -249.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -2822.573267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.573267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.573267 (E_RNA) where: Base-Base interactions energy: -1989.271 where: short stacking energy: -863.606 Base-Backbone interact. energy: -1.089 local terms energy: -832.213009 where: bonds (distance) C4'-P energy: -144.836 bonds (distance) P-C4' energy: -144.000 flat angles C4'-P-C4' energy: -184.266 flat angles P-C4'-P energy: -107.568 tors. eta vs tors. theta energy: -251.544 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: 2 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2778.111565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.111565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.111565 (E_RNA) where: Base-Base interactions energy: -1945.869 where: short stacking energy: -826.078 Base-Backbone interact. energy: 2.328 local terms energy: -834.569983 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -155.258 flat angles C4'-P-C4' energy: -177.248 flat angles P-C4'-P energy: -122.948 tors. eta vs tors. theta energy: -242.614 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: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2524.951737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.951737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.951737 (E_RNA) where: Base-Base interactions energy: -1757.222 where: short stacking energy: -760.413 Base-Backbone interact. energy: 1.126 local terms energy: -768.856149 where: bonds (distance) C4'-P energy: -155.513 bonds (distance) P-C4' energy: -144.584 flat angles C4'-P-C4' energy: -167.689 flat angles P-C4'-P energy: -89.304 tors. eta vs tors. theta energy: -211.767 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: 3 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2418.595137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.595137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.595137 (E_RNA) where: Base-Base interactions energy: -1671.192 where: short stacking energy: -747.796 Base-Backbone interact. energy: -1.788 local terms energy: -745.615195 where: bonds (distance) C4'-P energy: -147.088 bonds (distance) P-C4' energy: -126.842 flat angles C4'-P-C4' energy: -155.927 flat angles P-C4'-P energy: -99.890 tors. eta vs tors. theta energy: -215.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1997.381322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.381322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.381322 (E_RNA) where: Base-Base interactions energy: -1363.451 where: short stacking energy: -579.616 Base-Backbone interact. energy: -1.925 local terms energy: -632.005752 where: bonds (distance) C4'-P energy: -124.973 bonds (distance) P-C4' energy: -133.117 flat angles C4'-P-C4' energy: -151.728 flat angles P-C4'-P energy: -87.588 tors. eta vs tors. theta energy: -134.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1692.049985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.049985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.049985 (E_RNA) where: Base-Base interactions energy: -1121.013 where: short stacking energy: -453.713 Base-Backbone interact. energy: 0.286 local terms energy: -571.322808 where: bonds (distance) C4'-P energy: -117.133 bonds (distance) P-C4' energy: -158.784 flat angles C4'-P-C4' energy: -139.601 flat angles P-C4'-P energy: -79.162 tors. eta vs tors. theta energy: -76.642 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: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1613.271003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.271003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.271003 (E_RNA) where: Base-Base interactions energy: -1046.915 where: short stacking energy: -489.721 Base-Backbone interact. energy: -2.616 local terms energy: -563.739689 where: bonds (distance) C4'-P energy: -144.303 bonds (distance) P-C4' energy: -140.940 flat angles C4'-P-C4' energy: -113.054 flat angles P-C4'-P energy: -81.879 tors. eta vs tors. theta energy: -83.563 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: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1106.951475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.951475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.951475 (E_RNA) where: Base-Base interactions energy: -665.052 where: short stacking energy: -331.489 Base-Backbone interact. energy: 1.264 local terms energy: -443.163101 where: bonds (distance) C4'-P energy: -131.266 bonds (distance) P-C4' energy: -108.848 flat angles C4'-P-C4' energy: -116.209 flat angles P-C4'-P energy: -73.063 tors. eta vs tors. theta energy: -13.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3021.588044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.588044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.588044 (E_RNA) where: Base-Base interactions energy: -2126.671 where: short stacking energy: -873.100 Base-Backbone interact. energy: -3.833 local terms energy: -891.083152 where: bonds (distance) C4'-P energy: -160.762 bonds (distance) P-C4' energy: -166.691 flat angles C4'-P-C4' energy: -188.723 flat angles P-C4'-P energy: -133.420 tors. eta vs tors. theta energy: -241.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -2926.305273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.305273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.305273 (E_RNA) where: Base-Base interactions energy: -2031.119 where: short stacking energy: -854.150 Base-Backbone interact. energy: 0.698 local terms energy: -895.885117 where: bonds (distance) C4'-P energy: -169.095 bonds (distance) P-C4' energy: -160.236 flat angles C4'-P-C4' energy: -181.483 flat angles P-C4'-P energy: -139.853 tors. eta vs tors. theta energy: -245.217 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: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -2808.179887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.179887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.179887 (E_RNA) where: Base-Base interactions energy: -1969.607 where: short stacking energy: -839.553 Base-Backbone interact. energy: -3.297 local terms energy: -835.276240 where: bonds (distance) C4'-P energy: -150.016 bonds (distance) P-C4' energy: -168.305 flat angles C4'-P-C4' energy: -176.698 flat angles P-C4'-P energy: -116.158 tors. eta vs tors. theta energy: -224.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2742.812659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.812659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.812659 (E_RNA) where: Base-Base interactions energy: -1933.374 where: short stacking energy: -811.268 Base-Backbone interact. energy: 3.377 local terms energy: -812.815162 where: bonds (distance) C4'-P energy: -129.677 bonds (distance) P-C4' energy: -159.422 flat angles C4'-P-C4' energy: -178.050 flat angles P-C4'-P energy: -121.258 tors. eta vs tors. theta energy: -224.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2524.299452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.299452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.299452 (E_RNA) where: Base-Base interactions energy: -1751.985 where: short stacking energy: -729.584 Base-Backbone interact. energy: -2.110 local terms energy: -770.205165 where: bonds (distance) C4'-P energy: -128.304 bonds (distance) P-C4' energy: -158.538 flat angles C4'-P-C4' energy: -182.321 flat angles P-C4'-P energy: -115.435 tors. eta vs tors. theta energy: -185.607 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: 3 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2350.968251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.968251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.968251 (E_RNA) where: Base-Base interactions energy: -1609.258 where: short stacking energy: -726.505 Base-Backbone interact. energy: -0.488 local terms energy: -741.221822 where: bonds (distance) C4'-P energy: -129.091 bonds (distance) P-C4' energy: -146.460 flat angles C4'-P-C4' energy: -151.185 flat angles P-C4'-P energy: -121.255 tors. eta vs tors. theta energy: -193.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2050.901574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.901574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.901574 (E_RNA) where: Base-Base interactions energy: -1380.655 where: short stacking energy: -588.088 Base-Backbone interact. energy: -1.103 local terms energy: -669.143620 where: bonds (distance) C4'-P energy: -152.097 bonds (distance) P-C4' energy: -134.026 flat angles C4'-P-C4' energy: -157.181 flat angles P-C4'-P energy: -84.607 tors. eta vs tors. theta energy: -141.234 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1693.043425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.043425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.043425 (E_RNA) where: Base-Base interactions energy: -1089.033 where: short stacking energy: -459.366 Base-Backbone interact. energy: -0.263 local terms energy: -603.747162 where: bonds (distance) C4'-P energy: -155.552 bonds (distance) P-C4' energy: -132.229 flat angles C4'-P-C4' energy: -143.965 flat angles P-C4'-P energy: -78.426 tors. eta vs tors. theta energy: -93.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1532.288797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.288797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.288797 (E_RNA) where: Base-Base interactions energy: -1013.349 where: short stacking energy: -462.003 Base-Backbone interact. energy: 2.653 local terms energy: -521.593125 where: bonds (distance) C4'-P energy: -107.169 bonds (distance) P-C4' energy: -133.679 flat angles C4'-P-C4' energy: -125.897 flat angles P-C4'-P energy: -75.508 tors. eta vs tors. theta energy: -79.340 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: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1125.210522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.210522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.210522 (E_RNA) where: Base-Base interactions energy: -632.386 where: short stacking energy: -320.994 Base-Backbone interact. energy: 1.062 local terms energy: -493.885600 where: bonds (distance) C4'-P energy: -144.980 bonds (distance) P-C4' energy: -142.266 flat angles C4'-P-C4' energy: -122.125 flat angles P-C4'-P energy: -67.287 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3062.119303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.119303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.119303 (E_RNA) where: Base-Base interactions energy: -2165.811 where: short stacking energy: -881.028 Base-Backbone interact. energy: 0.841 local terms energy: -897.149037 where: bonds (distance) C4'-P energy: -151.547 bonds (distance) P-C4' energy: -176.751 flat angles C4'-P-C4' energy: -187.892 flat angles P-C4'-P energy: -134.481 tors. eta vs tors. theta energy: -246.478 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: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -2911.746729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.746729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.746729 (E_RNA) where: Base-Base interactions energy: -2036.791 where: short stacking energy: -871.522 Base-Backbone interact. energy: -2.653 local terms energy: -872.302681 where: bonds (distance) C4'-P energy: -149.290 bonds (distance) P-C4' energy: -152.116 flat angles C4'-P-C4' energy: -196.942 flat angles P-C4'-P energy: -126.131 tors. eta vs tors. theta energy: -247.824 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: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -2808.452060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.452060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.452060 (E_RNA) where: Base-Base interactions energy: -1963.299 where: short stacking energy: -837.054 Base-Backbone interact. energy: -5.277 local terms energy: -839.875614 where: bonds (distance) C4'-P energy: -157.717 bonds (distance) P-C4' energy: -159.780 flat angles C4'-P-C4' energy: -179.605 flat angles P-C4'-P energy: -111.027 tors. eta vs tors. theta energy: -231.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2723.905611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.905611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.905611 (E_RNA) where: Base-Base interactions energy: -1910.805 where: short stacking energy: -833.265 Base-Backbone interact. energy: -4.325 local terms energy: -808.775695 where: bonds (distance) C4'-P energy: -155.083 bonds (distance) P-C4' energy: -145.404 flat angles C4'-P-C4' energy: -182.810 flat angles P-C4'-P energy: -88.228 tors. eta vs tors. theta energy: -237.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2539.043602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.043602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.043602 (E_RNA) where: Base-Base interactions energy: -1781.911 where: short stacking energy: -742.250 Base-Backbone interact. energy: -0.846 local terms energy: -756.285869 where: bonds (distance) C4'-P energy: -140.938 bonds (distance) P-C4' energy: -143.106 flat angles C4'-P-C4' energy: -165.114 flat angles P-C4'-P energy: -104.757 tors. eta vs tors. theta energy: -202.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2308.647606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.647606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.647606 (E_RNA) where: Base-Base interactions energy: -1583.971 where: short stacking energy: -699.885 Base-Backbone interact. energy: -3.305 local terms energy: -721.371340 where: bonds (distance) C4'-P energy: -130.300 bonds (distance) P-C4' energy: -150.733 flat angles C4'-P-C4' energy: -150.715 flat angles P-C4'-P energy: -103.113 tors. eta vs tors. theta energy: -186.511 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: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1945.350257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.350257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.350257 (E_RNA) where: Base-Base interactions energy: -1328.157 where: short stacking energy: -552.351 Base-Backbone interact. energy: 5.548 local terms energy: -622.741455 where: bonds (distance) C4'-P energy: -125.790 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -144.312 flat angles P-C4'-P energy: -79.983 tors. eta vs tors. theta energy: -123.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1697.483771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.483771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.483771 (E_RNA) where: Base-Base interactions energy: -1121.777 where: short stacking energy: -459.107 Base-Backbone interact. energy: -2.379 local terms energy: -573.327519 where: bonds (distance) C4'-P energy: -126.966 bonds (distance) P-C4' energy: -123.484 flat angles C4'-P-C4' energy: -145.832 flat angles P-C4'-P energy: -80.460 tors. eta vs tors. theta energy: -96.586 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: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1538.098638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.098638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.098638 (E_RNA) where: Base-Base interactions energy: -981.094 where: short stacking energy: -453.210 Base-Backbone interact. energy: 0.020 local terms energy: -557.024529 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -111.975 flat angles C4'-P-C4' energy: -132.960 flat angles P-C4'-P energy: -93.258 tors. eta vs tors. theta energy: -74.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1251.347330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.347330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.347330 (E_RNA) where: Base-Base interactions energy: -760.531 where: short stacking energy: -360.866 Base-Backbone interact. energy: 0.752 local terms energy: -491.568794 where: bonds (distance) C4'-P energy: -126.199 bonds (distance) P-C4' energy: -129.581 flat angles C4'-P-C4' energy: -128.108 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -41.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3046.656680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.656680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.656680 (E_RNA) where: Base-Base interactions energy: -2167.434 where: short stacking energy: -883.705 Base-Backbone interact. energy: -0.201 local terms energy: -879.021327 where: bonds (distance) C4'-P energy: -153.766 bonds (distance) P-C4' energy: -180.431 flat angles C4'-P-C4' energy: -187.614 flat angles P-C4'-P energy: -125.928 tors. eta vs tors. theta energy: -231.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -2894.334924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.334924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.334924 (E_RNA) where: Base-Base interactions energy: -2018.690 where: short stacking energy: -890.268 Base-Backbone interact. energy: -2.921 local terms energy: -872.723750 where: bonds (distance) C4'-P energy: -144.681 bonds (distance) P-C4' energy: -147.489 flat angles C4'-P-C4' energy: -192.864 flat angles P-C4'-P energy: -136.114 tors. eta vs tors. theta energy: -251.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -2824.993597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.993597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.993597 (E_RNA) where: Base-Base interactions energy: -1968.139 where: short stacking energy: -866.166 Base-Backbone interact. energy: -2.495 local terms energy: -854.359482 where: bonds (distance) C4'-P energy: -142.681 bonds (distance) P-C4' energy: -168.026 flat angles C4'-P-C4' energy: -182.648 flat angles P-C4'-P energy: -118.953 tors. eta vs tors. theta energy: -242.052 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: 2 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2720.314876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.314876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.314876 (E_RNA) where: Base-Base interactions energy: -1897.036 where: short stacking energy: -829.902 Base-Backbone interact. energy: -1.611 local terms energy: -821.668358 where: bonds (distance) C4'-P energy: -150.503 bonds (distance) P-C4' energy: -148.829 flat angles C4'-P-C4' energy: -162.843 flat angles P-C4'-P energy: -123.041 tors. eta vs tors. theta energy: -236.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2532.903531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.903531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.903531 (E_RNA) where: Base-Base interactions energy: -1791.163 where: short stacking energy: -767.075 Base-Backbone interact. energy: -2.645 local terms energy: -739.095652 where: bonds (distance) C4'-P energy: -139.304 bonds (distance) P-C4' energy: -131.914 flat angles C4'-P-C4' energy: -165.589 flat angles P-C4'-P energy: -102.114 tors. eta vs tors. theta energy: -200.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2385.913292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.913292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.913292 (E_RNA) where: Base-Base interactions energy: -1656.260 where: short stacking energy: -721.579 Base-Backbone interact. energy: -5.579 local terms energy: -724.074768 where: bonds (distance) C4'-P energy: -142.810 bonds (distance) P-C4' energy: -139.417 flat angles C4'-P-C4' energy: -136.155 flat angles P-C4'-P energy: -100.091 tors. eta vs tors. theta energy: -205.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2004.652874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.652874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.652874 (E_RNA) where: Base-Base interactions energy: -1333.170 where: short stacking energy: -602.368 Base-Backbone interact. energy: -1.524 local terms energy: -669.958893 where: bonds (distance) C4'-P energy: -131.226 bonds (distance) P-C4' energy: -130.029 flat angles C4'-P-C4' energy: -167.639 flat angles P-C4'-P energy: -105.156 tors. eta vs tors. theta energy: -135.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1678.327745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.327745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.327745 (E_RNA) where: Base-Base interactions energy: -1097.857 where: short stacking energy: -489.677 Base-Backbone interact. energy: 3.968 local terms energy: -584.438930 where: bonds (distance) C4'-P energy: -123.571 bonds (distance) P-C4' energy: -143.900 flat angles C4'-P-C4' energy: -132.948 flat angles P-C4'-P energy: -94.244 tors. eta vs tors. theta energy: -89.775 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: 375 Temperature: 1.300000 Total energy: -1540.343044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.343044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.343044 (E_RNA) where: Base-Base interactions energy: -989.190 where: short stacking energy: -459.323 Base-Backbone interact. energy: -3.327 local terms energy: -547.826973 where: bonds (distance) C4'-P energy: -107.867 bonds (distance) P-C4' energy: -133.722 flat angles C4'-P-C4' energy: -119.639 flat angles P-C4'-P energy: -96.126 tors. eta vs tors. theta energy: -90.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1186.798872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.798872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.798872 (E_RNA) where: Base-Base interactions energy: -665.656 where: short stacking energy: -310.200 Base-Backbone interact. energy: 1.977 local terms energy: -523.119445 where: bonds (distance) C4'-P energy: -135.818 bonds (distance) P-C4' energy: -153.760 flat angles C4'-P-C4' energy: -122.245 flat angles P-C4'-P energy: -80.096 tors. eta vs tors. theta energy: -31.201 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: 1, replica: 10 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3020.368314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.368314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.368314 (E_RNA) where: Base-Base interactions energy: -2148.574 where: short stacking energy: -898.024 Base-Backbone interact. energy: -5.660 local terms energy: -866.134198 where: bonds (distance) C4'-P energy: -154.700 bonds (distance) P-C4' energy: -151.216 flat angles C4'-P-C4' energy: -182.877 flat angles P-C4'-P energy: -134.358 tors. eta vs tors. theta energy: -242.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -2921.075110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.075110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.075110 (E_RNA) where: Base-Base interactions energy: -2010.437 where: short stacking energy: -880.486 Base-Backbone interact. energy: 1.588 local terms energy: -912.226566 where: bonds (distance) C4'-P energy: -168.267 bonds (distance) P-C4' energy: -165.316 flat angles C4'-P-C4' energy: -194.800 flat angles P-C4'-P energy: -125.690 tors. eta vs tors. theta energy: -258.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -2833.207193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.207193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.207193 (E_RNA) where: Base-Base interactions energy: -1972.820 where: short stacking energy: -843.277 Base-Backbone interact. energy: 1.000 local terms energy: -861.386892 where: bonds (distance) C4'-P energy: -164.328 bonds (distance) P-C4' energy: -163.312 flat angles C4'-P-C4' energy: -179.124 flat angles P-C4'-P energy: -114.118 tors. eta vs tors. theta energy: -240.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -2771.607966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.607966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.607966 (E_RNA) where: Base-Base interactions energy: -1949.181 where: short stacking energy: -832.387 Base-Backbone interact. energy: -3.275 local terms energy: -819.152408 where: bonds (distance) C4'-P energy: -128.996 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -183.267 flat angles P-C4'-P energy: -107.356 tors. eta vs tors. theta energy: -243.098 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: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2565.862814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.862814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.862814 (E_RNA) where: Base-Base interactions energy: -1749.022 where: short stacking energy: -757.533 Base-Backbone interact. energy: -2.069 local terms energy: -814.772302 where: bonds (distance) C4'-P energy: -160.165 bonds (distance) P-C4' energy: -147.549 flat angles C4'-P-C4' energy: -188.923 flat angles P-C4'-P energy: -113.428 tors. eta vs tors. theta energy: -204.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2335.746446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.746446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.746446 (E_RNA) where: Base-Base interactions energy: -1614.961 where: short stacking energy: -691.365 Base-Backbone interact. energy: 0.243 local terms energy: -721.028567 where: bonds (distance) C4'-P energy: -130.893 bonds (distance) P-C4' energy: -141.335 flat angles C4'-P-C4' energy: -162.029 flat angles P-C4'-P energy: -101.105 tors. eta vs tors. theta energy: -185.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2042.712102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.712102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.712102 (E_RNA) where: Base-Base interactions energy: -1365.779 where: short stacking energy: -624.276 Base-Backbone interact. energy: 0.286 local terms energy: -677.219148 where: bonds (distance) C4'-P energy: -138.678 bonds (distance) P-C4' energy: -137.488 flat angles C4'-P-C4' energy: -159.455 flat angles P-C4'-P energy: -93.517 tors. eta vs tors. theta energy: -148.081 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: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1629.340961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.340961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.340961 (E_RNA) where: Base-Base interactions energy: -1035.295 where: short stacking energy: -491.866 Base-Backbone interact. energy: -2.016 local terms energy: -592.030380 where: bonds (distance) C4'-P energy: -138.794 bonds (distance) P-C4' energy: -125.527 flat angles C4'-P-C4' energy: -142.900 flat angles P-C4'-P energy: -78.209 tors. eta vs tors. theta energy: -106.600 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: 8 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1422.001227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.001227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.001227 (E_RNA) where: Base-Base interactions energy: -904.619 where: short stacking energy: -401.984 Base-Backbone interact. energy: 0.750 local terms energy: -518.131840 where: bonds (distance) C4'-P energy: -110.918 bonds (distance) P-C4' energy: -141.155 flat angles C4'-P-C4' energy: -131.473 flat angles P-C4'-P energy: -77.078 tors. eta vs tors. theta energy: -57.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1105.692437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.692437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.692437 (E_RNA) where: Base-Base interactions energy: -636.872 where: short stacking energy: -306.174 Base-Backbone interact. energy: -1.626 local terms energy: -467.193974 where: bonds (distance) C4'-P energy: -116.111 bonds (distance) P-C4' energy: -134.906 flat angles C4'-P-C4' energy: -123.561 flat angles P-C4'-P energy: -58.970 tors. eta vs tors. theta energy: -33.646 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: 10 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3045.781993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.781993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.781993 (E_RNA) where: Base-Base interactions energy: -2161.877 where: short stacking energy: -882.195 Base-Backbone interact. energy: 0.207 local terms energy: -884.112100 where: bonds (distance) C4'-P energy: -164.415 bonds (distance) P-C4' energy: -162.898 flat angles C4'-P-C4' energy: -189.193 flat angles P-C4'-P energy: -121.524 tors. eta vs tors. theta energy: -246.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -2910.387034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.387034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.387034 (E_RNA) where: Base-Base interactions energy: -2030.525 where: short stacking energy: -857.829 Base-Backbone interact. energy: -4.643 local terms energy: -875.219410 where: bonds (distance) C4'-P energy: -148.953 bonds (distance) P-C4' energy: -163.270 flat angles C4'-P-C4' energy: -185.293 flat angles P-C4'-P energy: -136.056 tors. eta vs tors. theta energy: -241.647 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: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -2798.418030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.418030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.418030 (E_RNA) where: Base-Base interactions energy: -1966.384 where: short stacking energy: -836.350 Base-Backbone interact. energy: 4.474 local terms energy: -836.507576 where: bonds (distance) C4'-P energy: -158.751 bonds (distance) P-C4' energy: -161.575 flat angles C4'-P-C4' energy: -169.786 flat angles P-C4'-P energy: -116.116 tors. eta vs tors. theta energy: -230.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2719.508257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.508257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.508257 (E_RNA) where: Base-Base interactions energy: -1898.711 where: short stacking energy: -796.649 Base-Backbone interact. energy: 0.211 local terms energy: -821.007542 where: bonds (distance) C4'-P energy: -133.794 bonds (distance) P-C4' energy: -149.172 flat angles C4'-P-C4' energy: -191.316 flat angles P-C4'-P energy: -109.129 tors. eta vs tors. theta energy: -237.596 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: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2536.505153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.505153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.505153 (E_RNA) where: Base-Base interactions energy: -1762.019 where: short stacking energy: -787.132 Base-Backbone interact. energy: -2.462 local terms energy: -772.024678 where: bonds (distance) C4'-P energy: -145.836 bonds (distance) P-C4' energy: -140.062 flat angles C4'-P-C4' energy: -172.614 flat angles P-C4'-P energy: -115.533 tors. eta vs tors. theta energy: -197.980 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: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2405.858934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.858934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.858934 (E_RNA) where: Base-Base interactions energy: -1650.980 where: short stacking energy: -741.439 Base-Backbone interact. energy: -2.973 local terms energy: -751.905587 where: bonds (distance) C4'-P energy: -123.563 bonds (distance) P-C4' energy: -139.022 flat angles C4'-P-C4' energy: -165.674 flat angles P-C4'-P energy: -109.435 tors. eta vs tors. theta energy: -214.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2058.886680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.886680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.886680 (E_RNA) where: Base-Base interactions energy: -1427.684 where: short stacking energy: -583.794 Base-Backbone interact. energy: 3.362 local terms energy: -634.564624 where: bonds (distance) C4'-P energy: -133.445 bonds (distance) P-C4' energy: -135.664 flat angles C4'-P-C4' energy: -134.729 flat angles P-C4'-P energy: -96.189 tors. eta vs tors. theta energy: -134.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -1584.898568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.898568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.898568 (E_RNA) where: Base-Base interactions energy: -1000.630 where: short stacking energy: -458.141 Base-Backbone interact. energy: -0.751 local terms energy: -583.517499 where: bonds (distance) C4'-P energy: -132.906 bonds (distance) P-C4' energy: -164.337 flat angles C4'-P-C4' energy: -153.271 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -58.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1402.998302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.998302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.998302 (E_RNA) where: Base-Base interactions energy: -881.529 where: short stacking energy: -424.403 Base-Backbone interact. energy: 0.773 local terms energy: -522.242098 where: bonds (distance) C4'-P energy: -133.693 bonds (distance) P-C4' energy: -133.580 flat angles C4'-P-C4' energy: -119.290 flat angles P-C4'-P energy: -73.116 tors. eta vs tors. theta energy: -62.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1178.370888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.370888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.370888 (E_RNA) where: Base-Base interactions energy: -768.577 where: short stacking energy: -342.912 Base-Backbone interact. energy: 7.092 local terms energy: -416.885986 where: bonds (distance) C4'-P energy: -94.530 bonds (distance) P-C4' energy: -131.128 flat angles C4'-P-C4' energy: -112.436 flat angles P-C4'-P energy: -65.830 tors. eta vs tors. theta energy: -12.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3035.581845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.581845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.581845 (E_RNA) where: Base-Base interactions energy: -2149.510 where: short stacking energy: -868.410 Base-Backbone interact. energy: -3.504 local terms energy: -882.567156 where: bonds (distance) C4'-P energy: -163.074 bonds (distance) P-C4' energy: -168.712 flat angles C4'-P-C4' energy: -186.800 flat angles P-C4'-P energy: -111.215 tors. eta vs tors. theta energy: -252.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -2946.787115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.787115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.787115 (E_RNA) where: Base-Base interactions energy: -2041.799 where: short stacking energy: -901.433 Base-Backbone interact. energy: -1.315 local terms energy: -903.673181 where: bonds (distance) C4'-P energy: -165.032 bonds (distance) P-C4' energy: -168.965 flat angles C4'-P-C4' energy: -188.995 flat angles P-C4'-P energy: -111.937 tors. eta vs tors. theta energy: -268.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -2787.990562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.990562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.990562 (E_RNA) where: Base-Base interactions energy: -1939.351 where: short stacking energy: -852.742 Base-Backbone interact. energy: -4.234 local terms energy: -844.405592 where: bonds (distance) C4'-P energy: -156.100 bonds (distance) P-C4' energy: -141.899 flat angles C4'-P-C4' energy: -182.155 flat angles P-C4'-P energy: -126.435 tors. eta vs tors. theta energy: -237.817 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: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2716.306894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.306894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.306894 (E_RNA) where: Base-Base interactions energy: -1897.597 where: short stacking energy: -829.304 Base-Backbone interact. energy: 3.337 local terms energy: -822.046791 where: bonds (distance) C4'-P energy: -148.167 bonds (distance) P-C4' energy: -159.492 flat angles C4'-P-C4' energy: -165.709 flat angles P-C4'-P energy: -116.231 tors. eta vs tors. theta energy: -232.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2499.646008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.646008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.646008 (E_RNA) where: Base-Base interactions energy: -1740.271 where: short stacking energy: -733.457 Base-Backbone interact. energy: -4.065 local terms energy: -755.310138 where: bonds (distance) C4'-P energy: -136.300 bonds (distance) P-C4' energy: -132.560 flat angles C4'-P-C4' energy: -173.266 flat angles P-C4'-P energy: -121.017 tors. eta vs tors. theta energy: -192.166 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: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2390.778313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.778313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.778313 (E_RNA) where: Base-Base interactions energy: -1653.557 where: short stacking energy: -739.205 Base-Backbone interact. energy: -1.272 local terms energy: -735.949061 where: bonds (distance) C4'-P energy: -124.012 bonds (distance) P-C4' energy: -138.851 flat angles C4'-P-C4' energy: -172.882 flat angles P-C4'-P energy: -100.994 tors. eta vs tors. theta energy: -199.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2098.424406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.424406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.424406 (E_RNA) where: Base-Base interactions energy: -1424.484 where: short stacking energy: -591.722 Base-Backbone interact. energy: 2.645 local terms energy: -676.585031 where: bonds (distance) C4'-P energy: -131.305 bonds (distance) P-C4' energy: -135.929 flat angles C4'-P-C4' energy: -170.466 flat angles P-C4'-P energy: -100.530 tors. eta vs tors. theta energy: -138.356 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: 378 Temperature: 1.250000 Total energy: -1627.887960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.887960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.887960 (E_RNA) where: Base-Base interactions energy: -1075.086 where: short stacking energy: -484.670 Base-Backbone interact. energy: -0.046 local terms energy: -552.756011 where: bonds (distance) C4'-P energy: -114.160 bonds (distance) P-C4' energy: -127.991 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -85.825 tors. eta vs tors. theta energy: -80.891 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: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1449.776204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.776204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.776204 (E_RNA) where: Base-Base interactions energy: -941.393 where: short stacking energy: -425.263 Base-Backbone interact. energy: -0.082 local terms energy: -508.301024 where: bonds (distance) C4'-P energy: -133.421 bonds (distance) P-C4' energy: -129.181 flat angles C4'-P-C4' energy: -126.029 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -51.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1221.967229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.967229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.967229 (E_RNA) where: Base-Base interactions energy: -763.112 where: short stacking energy: -364.811 Base-Backbone interact. energy: -1.544 local terms energy: -457.311246 where: bonds (distance) C4'-P energy: -128.992 bonds (distance) P-C4' energy: -140.481 flat angles C4'-P-C4' energy: -114.067 flat angles P-C4'-P energy: -38.594 tors. eta vs tors. theta energy: -35.177 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: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3030.154445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.154445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.154445 (E_RNA) where: Base-Base interactions energy: -2137.883 where: short stacking energy: -875.534 Base-Backbone interact. energy: -2.960 local terms energy: -889.311888 where: bonds (distance) C4'-P energy: -165.173 bonds (distance) P-C4' energy: -163.601 flat angles C4'-P-C4' energy: -181.170 flat angles P-C4'-P energy: -134.659 tors. eta vs tors. theta energy: -244.709 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: 1 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -2924.682828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.682828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.682828 (E_RNA) where: Base-Base interactions energy: -2045.318 where: short stacking energy: -907.978 Base-Backbone interact. energy: -0.851 local terms energy: -878.513446 where: bonds (distance) C4'-P energy: -149.753 bonds (distance) P-C4' energy: -169.040 flat angles C4'-P-C4' energy: -188.512 flat angles P-C4'-P energy: -116.419 tors. eta vs tors. theta energy: -254.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -2799.680664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.680664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.680664 (E_RNA) where: Base-Base interactions energy: -1968.501 where: short stacking energy: -859.417 Base-Backbone interact. energy: -0.637 local terms energy: -830.542273 where: bonds (distance) C4'-P energy: -152.135 bonds (distance) P-C4' energy: -149.743 flat angles C4'-P-C4' energy: -182.921 flat angles P-C4'-P energy: -109.184 tors. eta vs tors. theta energy: -236.560 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: 2 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2716.294636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.294636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.294636 (E_RNA) where: Base-Base interactions energy: -1897.501 where: short stacking energy: -846.776 Base-Backbone interact. energy: -1.766 local terms energy: -817.028508 where: bonds (distance) C4'-P energy: -141.241 bonds (distance) P-C4' energy: -147.093 flat angles C4'-P-C4' energy: -182.459 flat angles P-C4'-P energy: -98.621 tors. eta vs tors. theta energy: -247.614 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: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2458.919035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.919035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.919035 (E_RNA) where: Base-Base interactions energy: -1696.542 where: short stacking energy: -736.801 Base-Backbone interact. energy: -0.734 local terms energy: -761.643543 where: bonds (distance) C4'-P energy: -139.003 bonds (distance) P-C4' energy: -165.582 flat angles C4'-P-C4' energy: -175.858 flat angles P-C4'-P energy: -103.112 tors. eta vs tors. theta energy: -178.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2341.076589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.076589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.076589 (E_RNA) where: Base-Base interactions energy: -1615.737 where: short stacking energy: -732.212 Base-Backbone interact. energy: -1.811 local terms energy: -723.528887 where: bonds (distance) C4'-P energy: -113.319 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -163.862 flat angles P-C4'-P energy: -99.070 tors. eta vs tors. theta energy: -186.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2078.455836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.455836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.455836 (E_RNA) where: Base-Base interactions energy: -1420.413 where: short stacking energy: -605.722 Base-Backbone interact. energy: -0.921 local terms energy: -657.122034 where: bonds (distance) C4'-P energy: -126.563 bonds (distance) P-C4' energy: -143.340 flat angles C4'-P-C4' energy: -159.567 flat angles P-C4'-P energy: -89.312 tors. eta vs tors. theta energy: -138.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1589.750481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.750481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.750481 (E_RNA) where: Base-Base interactions energy: -1029.931 where: short stacking energy: -474.351 Base-Backbone interact. energy: 4.042 local terms energy: -563.861907 where: bonds (distance) C4'-P energy: -131.143 bonds (distance) P-C4' energy: -142.176 flat angles C4'-P-C4' energy: -145.794 flat angles P-C4'-P energy: -69.136 tors. eta vs tors. theta energy: -75.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1554.016278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.016278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.016278 (E_RNA) where: Base-Base interactions energy: -1003.736 where: short stacking energy: -456.001 Base-Backbone interact. energy: -2.218 local terms energy: -548.062170 where: bonds (distance) C4'-P energy: -123.123 bonds (distance) P-C4' energy: -115.685 flat angles C4'-P-C4' energy: -146.910 flat angles P-C4'-P energy: -86.352 tors. eta vs tors. theta energy: -75.993 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: 4 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1284.643495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.643495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.643495 (E_RNA) where: Base-Base interactions energy: -754.613 where: short stacking energy: -368.646 Base-Backbone interact. energy: 1.817 local terms energy: -531.847629 where: bonds (distance) C4'-P energy: -113.638 bonds (distance) P-C4' energy: -151.181 flat angles C4'-P-C4' energy: -131.287 flat angles P-C4'-P energy: -96.881 tors. eta vs tors. theta energy: -38.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3032.641334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.641334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.641334 (E_RNA) where: Base-Base interactions energy: -2138.768 where: short stacking energy: -863.806 Base-Backbone interact. energy: 0.370 local terms energy: -894.243815 where: bonds (distance) C4'-P energy: -164.896 bonds (distance) P-C4' energy: -164.756 flat angles C4'-P-C4' energy: -204.024 flat angles P-C4'-P energy: -111.777 tors. eta vs tors. theta energy: -248.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -2915.847732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.847732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.847732 (E_RNA) where: Base-Base interactions energy: -2037.925 where: short stacking energy: -901.865 Base-Backbone interact. energy: -4.167 local terms energy: -873.755840 where: bonds (distance) C4'-P energy: -147.960 bonds (distance) P-C4' energy: -162.723 flat angles C4'-P-C4' energy: -176.691 flat angles P-C4'-P energy: -127.757 tors. eta vs tors. theta energy: -258.626 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: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -2792.816337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.816337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.816337 (E_RNA) where: Base-Base interactions energy: -1951.936 where: short stacking energy: -831.663 Base-Backbone interact. energy: 4.739 local terms energy: -845.619316 where: bonds (distance) C4'-P energy: -151.863 bonds (distance) P-C4' energy: -156.850 flat angles C4'-P-C4' energy: -180.891 flat angles P-C4'-P energy: -126.806 tors. eta vs tors. theta energy: -229.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2713.165210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.165210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.165210 (E_RNA) where: Base-Base interactions energy: -1860.554 where: short stacking energy: -817.005 Base-Backbone interact. energy: -2.304 local terms energy: -850.307093 where: bonds (distance) C4'-P energy: -146.880 bonds (distance) P-C4' energy: -162.488 flat angles C4'-P-C4' energy: -188.534 flat angles P-C4'-P energy: -115.525 tors. eta vs tors. theta energy: -236.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2433.744985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.744985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.744985 (E_RNA) where: Base-Base interactions energy: -1711.279 where: short stacking energy: -716.846 Base-Backbone interact. energy: -1.308 local terms energy: -721.157796 where: bonds (distance) C4'-P energy: -145.573 bonds (distance) P-C4' energy: -130.815 flat angles C4'-P-C4' energy: -162.987 flat angles P-C4'-P energy: -121.078 tors. eta vs tors. theta energy: -160.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2321.279144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.279144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.279144 (E_RNA) where: Base-Base interactions energy: -1586.751 where: short stacking energy: -701.829 Base-Backbone interact. energy: -1.512 local terms energy: -733.016379 where: bonds (distance) C4'-P energy: -133.385 bonds (distance) P-C4' energy: -147.249 flat angles C4'-P-C4' energy: -185.421 flat angles P-C4'-P energy: -84.038 tors. eta vs tors. theta energy: -182.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2083.949884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.949884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.949884 (E_RNA) where: Base-Base interactions energy: -1446.475 where: short stacking energy: -622.115 Base-Backbone interact. energy: -2.799 local terms energy: -634.676013 where: bonds (distance) C4'-P energy: -122.141 bonds (distance) P-C4' energy: -138.411 flat angles C4'-P-C4' energy: -159.157 flat angles P-C4'-P energy: -91.851 tors. eta vs tors. theta energy: -123.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1624.815263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.815263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.815263 (E_RNA) where: Base-Base interactions energy: -1034.556 where: short stacking energy: -464.654 Base-Backbone interact. energy: -2.478 local terms energy: -587.781122 where: bonds (distance) C4'-P energy: -145.575 bonds (distance) P-C4' energy: -148.815 flat angles C4'-P-C4' energy: -138.658 flat angles P-C4'-P energy: -71.985 tors. eta vs tors. theta energy: -82.748 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: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1658.365776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.365776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.365776 (E_RNA) where: Base-Base interactions energy: -1077.811 where: short stacking energy: -455.400 Base-Backbone interact. energy: -3.134 local terms energy: -577.421189 where: bonds (distance) C4'-P energy: -102.812 bonds (distance) P-C4' energy: -153.742 flat angles C4'-P-C4' energy: -141.863 flat angles P-C4'-P energy: -90.650 tors. eta vs tors. theta energy: -88.354 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: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1223.455242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.455242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.455242 (E_RNA) where: Base-Base interactions energy: -746.275 where: short stacking energy: -361.634 Base-Backbone interact. energy: -0.587 local terms energy: -476.593007 where: bonds (distance) C4'-P energy: -120.408 bonds (distance) P-C4' energy: -142.728 flat angles C4'-P-C4' energy: -87.211 flat angles P-C4'-P energy: -66.549 tors. eta vs tors. theta energy: -59.697 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: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3024.277658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.277658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.277658 (E_RNA) where: Base-Base interactions energy: -2132.865 where: short stacking energy: -895.706 Base-Backbone interact. energy: -5.437 local terms energy: -885.976065 where: bonds (distance) C4'-P energy: -160.942 bonds (distance) P-C4' energy: -170.465 flat angles C4'-P-C4' energy: -188.071 flat angles P-C4'-P energy: -111.534 tors. eta vs tors. theta energy: -254.965 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: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -2922.661251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.661251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.661251 (E_RNA) where: Base-Base interactions energy: -2029.698 where: short stacking energy: -866.834 Base-Backbone interact. energy: -3.149 local terms energy: -889.814195 where: bonds (distance) C4'-P energy: -162.344 bonds (distance) P-C4' energy: -166.902 flat angles C4'-P-C4' energy: -180.582 flat angles P-C4'-P energy: -120.449 tors. eta vs tors. theta energy: -259.536 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: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -2897.042556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.042556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.042556 (E_RNA) where: Base-Base interactions energy: -2004.382 where: short stacking energy: -863.018 Base-Backbone interact. energy: -3.301 local terms energy: -889.359296 where: bonds (distance) C4'-P energy: -161.596 bonds (distance) P-C4' energy: -155.221 flat angles C4'-P-C4' energy: -195.851 flat angles P-C4'-P energy: -116.255 tors. eta vs tors. theta energy: -260.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2700.113326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.113326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.113326 (E_RNA) where: Base-Base interactions energy: -1854.812 where: short stacking energy: -830.628 Base-Backbone interact. energy: -3.727 local terms energy: -841.573950 where: bonds (distance) C4'-P energy: -156.902 bonds (distance) P-C4' energy: -155.589 flat angles C4'-P-C4' energy: -181.653 flat angles P-C4'-P energy: -116.264 tors. eta vs tors. theta energy: -231.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2479.968648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.968648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.968648 (E_RNA) where: Base-Base interactions energy: -1742.644 where: short stacking energy: -751.553 Base-Backbone interact. energy: -2.699 local terms energy: -734.626054 where: bonds (distance) C4'-P energy: -134.868 bonds (distance) P-C4' energy: -128.612 flat angles C4'-P-C4' energy: -170.294 flat angles P-C4'-P energy: -98.424 tors. eta vs tors. theta energy: -202.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2314.956731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.956731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.956731 (E_RNA) where: Base-Base interactions energy: -1544.993 where: short stacking energy: -675.660 Base-Backbone interact. energy: -2.925 local terms energy: -767.038789 where: bonds (distance) C4'-P energy: -153.847 bonds (distance) P-C4' energy: -143.542 flat angles C4'-P-C4' energy: -177.481 flat angles P-C4'-P energy: -106.484 tors. eta vs tors. theta energy: -185.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2186.353511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.353511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.353511 (E_RNA) where: Base-Base interactions energy: -1466.283 where: short stacking energy: -639.581 Base-Backbone interact. energy: -1.459 local terms energy: -718.611249 where: bonds (distance) C4'-P energy: -149.353 bonds (distance) P-C4' energy: -148.344 flat angles C4'-P-C4' energy: -171.242 flat angles P-C4'-P energy: -99.528 tors. eta vs tors. theta energy: -150.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1523.701441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.701441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.701441 (E_RNA) where: Base-Base interactions energy: -957.172 where: short stacking energy: -443.799 Base-Backbone interact. energy: 7.915 local terms energy: -574.443881 where: bonds (distance) C4'-P energy: -143.193 bonds (distance) P-C4' energy: -147.857 flat angles C4'-P-C4' energy: -130.999 flat angles P-C4'-P energy: -78.142 tors. eta vs tors. theta energy: -74.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1599.872712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.872712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.872712 (E_RNA) where: Base-Base interactions energy: -1047.146 where: short stacking energy: -460.689 Base-Backbone interact. energy: -2.770 local terms energy: -549.955999 where: bonds (distance) C4'-P energy: -148.706 bonds (distance) P-C4' energy: -123.847 flat angles C4'-P-C4' energy: -124.739 flat angles P-C4'-P energy: -78.779 tors. eta vs tors. theta energy: -73.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1223.962211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.962211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.962211 (E_RNA) where: Base-Base interactions energy: -773.351 where: short stacking energy: -379.077 Base-Backbone interact. energy: 7.527 local terms energy: -458.137987 where: bonds (distance) C4'-P energy: -98.608 bonds (distance) P-C4' energy: -106.994 flat angles C4'-P-C4' energy: -124.036 flat angles P-C4'-P energy: -80.163 tors. eta vs tors. theta energy: -48.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3019.438381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.438381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.438381 (E_RNA) where: Base-Base interactions energy: -2121.892 where: short stacking energy: -883.552 Base-Backbone interact. energy: -1.155 local terms energy: -896.391285 where: bonds (distance) C4'-P energy: -164.434 bonds (distance) P-C4' energy: -160.307 flat angles C4'-P-C4' energy: -194.260 flat angles P-C4'-P energy: -131.430 tors. eta vs tors. theta energy: -245.961 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: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -2940.906714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.906714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.906714 (E_RNA) where: Base-Base interactions energy: -2030.861 where: short stacking energy: -906.804 Base-Backbone interact. energy: 0.047 local terms energy: -910.092781 where: bonds (distance) C4'-P energy: -164.870 bonds (distance) P-C4' energy: -160.489 flat angles C4'-P-C4' energy: -189.955 flat angles P-C4'-P energy: -122.365 tors. eta vs tors. theta energy: -272.414 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: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -2828.834324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.834324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.834324 (E_RNA) where: Base-Base interactions energy: -1986.997 where: short stacking energy: -882.510 Base-Backbone interact. energy: -0.946 local terms energy: -840.890826 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -153.835 flat angles C4'-P-C4' energy: -186.465 flat angles P-C4'-P energy: -99.962 tors. eta vs tors. theta energy: -250.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2680.492921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.492921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.492921 (E_RNA) where: Base-Base interactions energy: -1869.238 where: short stacking energy: -819.017 Base-Backbone interact. energy: -3.240 local terms energy: -808.014331 where: bonds (distance) C4'-P energy: -133.556 bonds (distance) P-C4' energy: -139.484 flat angles C4'-P-C4' energy: -179.809 flat angles P-C4'-P energy: -118.050 tors. eta vs tors. theta energy: -237.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2492.356377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.356377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.356377 (E_RNA) where: Base-Base interactions energy: -1749.153 where: short stacking energy: -758.430 Base-Backbone interact. energy: 4.076 local terms energy: -747.279480 where: bonds (distance) C4'-P energy: -124.048 bonds (distance) P-C4' energy: -143.865 flat angles C4'-P-C4' energy: -176.148 flat angles P-C4'-P energy: -105.163 tors. eta vs tors. theta energy: -198.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2326.196454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.196454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.196454 (E_RNA) where: Base-Base interactions energy: -1579.371 where: short stacking energy: -703.960 Base-Backbone interact. energy: -2.400 local terms energy: -744.424704 where: bonds (distance) C4'-P energy: -145.487 bonds (distance) P-C4' energy: -139.206 flat angles C4'-P-C4' energy: -168.574 flat angles P-C4'-P energy: -96.853 tors. eta vs tors. theta energy: -194.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2150.791766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.791766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.791766 (E_RNA) where: Base-Base interactions energy: -1491.154 where: short stacking energy: -649.478 Base-Backbone interact. energy: -2.012 local terms energy: -657.626091 where: bonds (distance) C4'-P energy: -120.190 bonds (distance) P-C4' energy: -139.708 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -86.833 tors. eta vs tors. theta energy: -168.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1632.845276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.845276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.845276 (E_RNA) where: Base-Base interactions energy: -1047.685 where: short stacking energy: -466.122 Base-Backbone interact. energy: 0.966 local terms energy: -586.125370 where: bonds (distance) C4'-P energy: -130.370 bonds (distance) P-C4' energy: -152.127 flat angles C4'-P-C4' energy: -129.816 flat angles P-C4'-P energy: -84.605 tors. eta vs tors. theta energy: -89.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1657.559427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.559427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.559427 (E_RNA) where: Base-Base interactions energy: -1095.883 where: short stacking energy: -503.312 Base-Backbone interact. energy: 0.572 local terms energy: -562.247861 where: bonds (distance) C4'-P energy: -137.667 bonds (distance) P-C4' energy: -132.157 flat angles C4'-P-C4' energy: -136.636 flat angles P-C4'-P energy: -66.379 tors. eta vs tors. theta energy: -89.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1269.842965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.842965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.842965 (E_RNA) where: Base-Base interactions energy: -735.242 where: short stacking energy: -321.458 Base-Backbone interact. energy: 4.403 local terms energy: -539.003494 where: bonds (distance) C4'-P energy: -150.277 bonds (distance) P-C4' energy: -143.156 flat angles C4'-P-C4' energy: -124.187 flat angles P-C4'-P energy: -100.350 tors. eta vs tors. theta energy: -21.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3020.894624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.894624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.894624 (E_RNA) where: Base-Base interactions energy: -2116.619 where: short stacking energy: -886.332 Base-Backbone interact. energy: -2.007 local terms energy: -902.268501 where: bonds (distance) C4'-P energy: -164.370 bonds (distance) P-C4' energy: -158.131 flat angles C4'-P-C4' energy: -198.398 flat angles P-C4'-P energy: -131.449 tors. eta vs tors. theta energy: -249.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -2929.316449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.316449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.316449 (E_RNA) where: Base-Base interactions energy: -2042.987 where: short stacking energy: -898.926 Base-Backbone interact. energy: -1.920 local terms energy: -884.409266 where: bonds (distance) C4'-P energy: -144.941 bonds (distance) P-C4' energy: -163.930 flat angles C4'-P-C4' energy: -186.648 flat angles P-C4'-P energy: -130.663 tors. eta vs tors. theta energy: -258.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -2819.921586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.921586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.921586 (E_RNA) where: Base-Base interactions energy: -1952.361 where: short stacking energy: -819.848 Base-Backbone interact. energy: -6.420 local terms energy: -861.140244 where: bonds (distance) C4'-P energy: -164.370 bonds (distance) P-C4' energy: -149.942 flat angles C4'-P-C4' energy: -186.948 flat angles P-C4'-P energy: -116.757 tors. eta vs tors. theta energy: -243.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2654.905289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.905289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.905289 (E_RNA) where: Base-Base interactions energy: -1842.529 where: short stacking energy: -795.961 Base-Backbone interact. energy: 5.979 local terms energy: -818.355341 where: bonds (distance) C4'-P energy: -155.671 bonds (distance) P-C4' energy: -139.668 flat angles C4'-P-C4' energy: -186.624 flat angles P-C4'-P energy: -110.821 tors. eta vs tors. theta energy: -225.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2481.433341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.433341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.433341 (E_RNA) where: Base-Base interactions energy: -1694.736 where: short stacking energy: -751.422 Base-Backbone interact. energy: -2.187 local terms energy: -784.510058 where: bonds (distance) C4'-P energy: -128.695 bonds (distance) P-C4' energy: -157.398 flat angles C4'-P-C4' energy: -183.110 flat angles P-C4'-P energy: -118.827 tors. eta vs tors. theta energy: -196.479 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: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2355.334202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.334202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.334202 (E_RNA) where: Base-Base interactions energy: -1627.855 where: short stacking energy: -714.166 Base-Backbone interact. energy: -4.217 local terms energy: -723.261976 where: bonds (distance) C4'-P energy: -126.116 bonds (distance) P-C4' energy: -148.662 flat angles C4'-P-C4' energy: -172.424 flat angles P-C4'-P energy: -87.438 tors. eta vs tors. theta energy: -188.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2151.950185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.950185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.950185 (E_RNA) where: Base-Base interactions energy: -1498.638 where: short stacking energy: -629.662 Base-Backbone interact. energy: 3.896 local terms energy: -657.207994 where: bonds (distance) C4'-P energy: -127.323 bonds (distance) P-C4' energy: -123.649 flat angles C4'-P-C4' energy: -145.393 flat angles P-C4'-P energy: -101.847 tors. eta vs tors. theta energy: -158.996 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: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1668.735579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.735579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.735579 (E_RNA) where: Base-Base interactions energy: -1069.527 where: short stacking energy: -490.824 Base-Backbone interact. energy: -3.170 local terms energy: -596.039097 where: bonds (distance) C4'-P energy: -136.018 bonds (distance) P-C4' energy: -148.477 flat angles C4'-P-C4' energy: -132.069 flat angles P-C4'-P energy: -74.037 tors. eta vs tors. theta energy: -105.439 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: 8 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1617.437573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.437573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.437573 (E_RNA) where: Base-Base interactions energy: -1103.726 where: short stacking energy: -477.471 Base-Backbone interact. energy: 1.143 local terms energy: -514.854534 where: bonds (distance) C4'-P energy: -103.508 bonds (distance) P-C4' energy: -131.167 flat angles C4'-P-C4' energy: -129.437 flat angles P-C4'-P energy: -66.384 tors. eta vs tors. theta energy: -84.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1282.272657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.272657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.272657 (E_RNA) where: Base-Base interactions energy: -804.330 where: short stacking energy: -362.119 Base-Backbone interact. energy: -1.708 local terms energy: -476.234868 where: bonds (distance) C4'-P energy: -115.970 bonds (distance) P-C4' energy: -139.666 flat angles C4'-P-C4' energy: -112.592 flat angles P-C4'-P energy: -78.007 tors. eta vs tors. theta energy: -30.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3021.996817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.996817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.996817 (E_RNA) where: Base-Base interactions energy: -2126.518 where: short stacking energy: -867.022 Base-Backbone interact. energy: -4.434 local terms energy: -891.045627 where: bonds (distance) C4'-P energy: -156.226 bonds (distance) P-C4' energy: -181.205 flat angles C4'-P-C4' energy: -184.396 flat angles P-C4'-P energy: -131.888 tors. eta vs tors. theta energy: -237.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -2971.664556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.664556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.664556 (E_RNA) where: Base-Base interactions energy: -2065.808 where: short stacking energy: -933.713 Base-Backbone interact. energy: -0.643 local terms energy: -905.214448 where: bonds (distance) C4'-P energy: -160.407 bonds (distance) P-C4' energy: -162.678 flat angles C4'-P-C4' energy: -195.432 flat angles P-C4'-P energy: -109.749 tors. eta vs tors. theta energy: -276.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -2799.263958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.263958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.263958 (E_RNA) where: Base-Base interactions energy: -1966.899 where: short stacking energy: -842.761 Base-Backbone interact. energy: -0.441 local terms energy: -831.924025 where: bonds (distance) C4'-P energy: -167.797 bonds (distance) P-C4' energy: -143.099 flat angles C4'-P-C4' energy: -173.659 flat angles P-C4'-P energy: -106.908 tors. eta vs tors. theta energy: -240.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2683.196220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.196220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.196220 (E_RNA) where: Base-Base interactions energy: -1828.727 where: short stacking energy: -809.123 Base-Backbone interact. energy: -1.860 local terms energy: -852.609240 where: bonds (distance) C4'-P energy: -154.593 bonds (distance) P-C4' energy: -170.656 flat angles C4'-P-C4' energy: -169.282 flat angles P-C4'-P energy: -122.713 tors. eta vs tors. theta energy: -235.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2469.818308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.818308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.818308 (E_RNA) where: Base-Base interactions energy: -1717.462 where: short stacking energy: -752.650 Base-Backbone interact. energy: -2.816 local terms energy: -749.539850 where: bonds (distance) C4'-P energy: -145.448 bonds (distance) P-C4' energy: -149.755 flat angles C4'-P-C4' energy: -161.873 flat angles P-C4'-P energy: -100.261 tors. eta vs tors. theta energy: -192.203 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: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2411.315163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.315163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.315163 (E_RNA) where: Base-Base interactions energy: -1655.839 where: short stacking energy: -728.357 Base-Backbone interact. energy: -0.332 local terms energy: -755.144248 where: bonds (distance) C4'-P energy: -145.466 bonds (distance) P-C4' energy: -137.582 flat angles C4'-P-C4' energy: -168.325 flat angles P-C4'-P energy: -99.786 tors. eta vs tors. theta energy: -203.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2127.958244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.958244 (E_RNA) where: Base-Base interactions energy: -1474.753 where: short stacking energy: -619.522 Base-Backbone interact. energy: -2.419 local terms energy: -650.786468 where: bonds (distance) C4'-P energy: -131.796 bonds (distance) P-C4' energy: -141.340 flat angles C4'-P-C4' energy: -135.455 flat angles P-C4'-P energy: -95.596 tors. eta vs tors. theta energy: -146.599 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: 384 Temperature: 1.250000 Total energy: -1630.250480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.250480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.250480 (E_RNA) where: Base-Base interactions energy: -1029.830 where: short stacking energy: -448.935 Base-Backbone interact. energy: -0.653 local terms energy: -599.767261 where: bonds (distance) C4'-P energy: -132.921 bonds (distance) P-C4' energy: -151.731 flat angles C4'-P-C4' energy: -150.282 flat angles P-C4'-P energy: -88.817 tors. eta vs tors. theta energy: -76.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1594.224325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.224325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.224325 (E_RNA) where: Base-Base interactions energy: -1049.890 where: short stacking energy: -461.931 Base-Backbone interact. energy: 1.137 local terms energy: -545.471232 where: bonds (distance) C4'-P energy: -125.353 bonds (distance) P-C4' energy: -131.630 flat angles C4'-P-C4' energy: -128.704 flat angles P-C4'-P energy: -80.908 tors. eta vs tors. theta energy: -78.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1240.534712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.534712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.534712 (E_RNA) where: Base-Base interactions energy: -772.350 where: short stacking energy: -373.895 Base-Backbone interact. energy: 6.733 local terms energy: -474.918024 where: bonds (distance) C4'-P energy: -120.047 bonds (distance) P-C4' energy: -128.553 flat angles C4'-P-C4' energy: -115.210 flat angles P-C4'-P energy: -69.441 tors. eta vs tors. theta energy: -41.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3012.904073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.904073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.904073 (E_RNA) where: Base-Base interactions energy: -2130.364 where: short stacking energy: -887.233 Base-Backbone interact. energy: -2.644 local terms energy: -879.895903 where: bonds (distance) C4'-P energy: -159.890 bonds (distance) P-C4' energy: -171.596 flat angles C4'-P-C4' energy: -180.984 flat angles P-C4'-P energy: -126.549 tors. eta vs tors. theta energy: -240.876 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: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -2942.710856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.710856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.710856 (E_RNA) where: Base-Base interactions energy: -2041.302 where: short stacking energy: -888.970 Base-Backbone interact. energy: -2.628 local terms energy: -898.780777 where: bonds (distance) C4'-P energy: -152.599 bonds (distance) P-C4' energy: -164.554 flat angles C4'-P-C4' energy: -193.262 flat angles P-C4'-P energy: -125.105 tors. eta vs tors. theta energy: -263.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -2806.686796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.686796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.686796 (E_RNA) where: Base-Base interactions energy: -1956.839 where: short stacking energy: -803.046 Base-Backbone interact. energy: -3.633 local terms energy: -846.215303 where: bonds (distance) C4'-P energy: -149.568 bonds (distance) P-C4' energy: -171.260 flat angles C4'-P-C4' energy: -175.813 flat angles P-C4'-P energy: -117.228 tors. eta vs tors. theta energy: -232.347 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: 385 Temperature: 1.050000 Total energy: -2654.181359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.181359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.181359 (E_RNA) where: Base-Base interactions energy: -1835.550 where: short stacking energy: -809.512 Base-Backbone interact. energy: -3.404 local terms energy: -815.227350 where: bonds (distance) C4'-P energy: -139.606 bonds (distance) P-C4' energy: -160.301 flat angles C4'-P-C4' energy: -177.722 flat angles P-C4'-P energy: -104.927 tors. eta vs tors. theta energy: -232.671 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: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2461.466378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.466378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.466378 (E_RNA) where: Base-Base interactions energy: -1686.285 where: short stacking energy: -731.090 Base-Backbone interact. energy: -0.560 local terms energy: -774.621715 where: bonds (distance) C4'-P energy: -145.411 bonds (distance) P-C4' energy: -152.492 flat angles C4'-P-C4' energy: -168.117 flat angles P-C4'-P energy: -115.549 tors. eta vs tors. theta energy: -193.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2456.301641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2456.301641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2456.301641 (E_RNA) where: Base-Base interactions energy: -1683.416 where: short stacking energy: -753.416 Base-Backbone interact. energy: 8.095 local terms energy: -780.980519 where: bonds (distance) C4'-P energy: -151.450 bonds (distance) P-C4' energy: -152.999 flat angles C4'-P-C4' energy: -163.375 flat angles P-C4'-P energy: -96.537 tors. eta vs tors. theta energy: -216.619 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: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2155.042943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.042943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.042943 (E_RNA) where: Base-Base interactions energy: -1468.176 where: short stacking energy: -624.951 Base-Backbone interact. energy: 1.227 local terms energy: -688.094581 where: bonds (distance) C4'-P energy: -123.085 bonds (distance) P-C4' energy: -144.130 flat angles C4'-P-C4' energy: -167.017 flat angles P-C4'-P energy: -99.100 tors. eta vs tors. theta energy: -154.762 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: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1680.500094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.500094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.500094 (E_RNA) where: Base-Base interactions energy: -1083.639 where: short stacking energy: -492.953 Base-Backbone interact. energy: 0.725 local terms energy: -597.586103 where: bonds (distance) C4'-P energy: -140.337 bonds (distance) P-C4' energy: -119.830 flat angles C4'-P-C4' energy: -163.799 flat angles P-C4'-P energy: -86.862 tors. eta vs tors. theta energy: -86.758 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: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1623.873158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.873158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.873158 (E_RNA) where: Base-Base interactions energy: -1053.191 where: short stacking energy: -455.812 Base-Backbone interact. energy: 2.648 local terms energy: -573.330254 where: bonds (distance) C4'-P energy: -125.060 bonds (distance) P-C4' energy: -129.404 flat angles C4'-P-C4' energy: -144.150 flat angles P-C4'-P energy: -83.921 tors. eta vs tors. theta energy: -90.795 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: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1329.034039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.034039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.034039 (E_RNA) where: Base-Base interactions energy: -822.494 where: short stacking energy: -381.352 Base-Backbone interact. energy: -1.036 local terms energy: -505.504309 where: bonds (distance) C4'-P energy: -122.818 bonds (distance) P-C4' energy: -138.468 flat angles C4'-P-C4' energy: -116.595 flat angles P-C4'-P energy: -81.019 tors. eta vs tors. theta energy: -46.603 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: 10 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3023.189154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.189154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.189154 (E_RNA) where: Base-Base interactions energy: -2123.564 where: short stacking energy: -876.700 Base-Backbone interact. energy: -3.573 local terms energy: -896.052181 where: bonds (distance) C4'-P energy: -175.028 bonds (distance) P-C4' energy: -156.025 flat angles C4'-P-C4' energy: -193.069 flat angles P-C4'-P energy: -133.498 tors. eta vs tors. theta energy: -238.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -2921.093150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.093150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.093150 (E_RNA) where: Base-Base interactions energy: -2010.581 where: short stacking energy: -882.345 Base-Backbone interact. energy: -4.367 local terms energy: -906.145245 where: bonds (distance) C4'-P energy: -160.967 bonds (distance) P-C4' energy: -163.086 flat angles C4'-P-C4' energy: -191.335 flat angles P-C4'-P energy: -133.547 tors. eta vs tors. theta energy: -257.211 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: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -2788.399119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.399119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.399119 (E_RNA) where: Base-Base interactions energy: -1906.778 where: short stacking energy: -819.495 Base-Backbone interact. energy: -1.953 local terms energy: -879.669042 where: bonds (distance) C4'-P energy: -163.819 bonds (distance) P-C4' energy: -159.228 flat angles C4'-P-C4' energy: -178.342 flat angles P-C4'-P energy: -129.442 tors. eta vs tors. theta energy: -248.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2667.195612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.195612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.195612 (E_RNA) where: Base-Base interactions energy: -1849.597 where: short stacking energy: -814.409 Base-Backbone interact. energy: -3.163 local terms energy: -814.435841 where: bonds (distance) C4'-P energy: -140.733 bonds (distance) P-C4' energy: -139.978 flat angles C4'-P-C4' energy: -183.164 flat angles P-C4'-P energy: -112.342 tors. eta vs tors. theta energy: -238.218 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: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2457.829724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.829724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.829724 (E_RNA) where: Base-Base interactions energy: -1700.407 where: short stacking energy: -727.702 Base-Backbone interact. energy: -0.608 local terms energy: -756.814979 where: bonds (distance) C4'-P energy: -148.194 bonds (distance) P-C4' energy: -136.203 flat angles C4'-P-C4' energy: -169.348 flat angles P-C4'-P energy: -111.923 tors. eta vs tors. theta energy: -191.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2387.280389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.280389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.280389 (E_RNA) where: Base-Base interactions energy: -1636.118 where: short stacking energy: -702.522 Base-Backbone interact. energy: -4.082 local terms energy: -747.080274 where: bonds (distance) C4'-P energy: -151.531 bonds (distance) P-C4' energy: -134.423 flat angles C4'-P-C4' energy: -169.924 flat angles P-C4'-P energy: -109.926 tors. eta vs tors. theta energy: -181.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2144.415921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.415921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.415921 (E_RNA) where: Base-Base interactions energy: -1473.323 where: short stacking energy: -634.031 Base-Backbone interact. energy: -3.061 local terms energy: -668.031801 where: bonds (distance) C4'-P energy: -127.186 bonds (distance) P-C4' energy: -142.440 flat angles C4'-P-C4' energy: -155.353 flat angles P-C4'-P energy: -87.730 tors. eta vs tors. theta energy: -155.323 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: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1589.064199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.064199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.064199 (E_RNA) where: Base-Base interactions energy: -1011.979 where: short stacking energy: -465.608 Base-Backbone interact. energy: -0.342 local terms energy: -576.743081 where: bonds (distance) C4'-P energy: -89.884 bonds (distance) P-C4' energy: -153.427 flat angles C4'-P-C4' energy: -147.896 flat angles P-C4'-P energy: -99.392 tors. eta vs tors. theta energy: -86.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1619.672986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.672986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.672986 (E_RNA) where: Base-Base interactions energy: -1068.832 where: short stacking energy: -466.382 Base-Backbone interact. energy: -4.640 local terms energy: -546.201230 where: bonds (distance) C4'-P energy: -135.043 bonds (distance) P-C4' energy: -132.494 flat angles C4'-P-C4' energy: -130.045 flat angles P-C4'-P energy: -78.906 tors. eta vs tors. theta energy: -69.713 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: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1270.970051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.970051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.970051 (E_RNA) where: Base-Base interactions energy: -769.011 where: short stacking energy: -387.247 Base-Backbone interact. energy: 0.187 local terms energy: -502.146592 where: bonds (distance) C4'-P energy: -124.492 bonds (distance) P-C4' energy: -131.062 flat angles C4'-P-C4' energy: -127.507 flat angles P-C4'-P energy: -59.498 tors. eta vs tors. theta energy: -59.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3019.896190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.896190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.896190 (E_RNA) where: Base-Base interactions energy: -2140.129 where: short stacking energy: -886.643 Base-Backbone interact. energy: -1.483 local terms energy: -878.283853 where: bonds (distance) C4'-P energy: -167.765 bonds (distance) P-C4' energy: -157.760 flat angles C4'-P-C4' energy: -185.762 flat angles P-C4'-P energy: -121.971 tors. eta vs tors. theta energy: -245.025 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: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -2902.805032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.805032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.805032 (E_RNA) where: Base-Base interactions energy: -2011.724 where: short stacking energy: -883.468 Base-Backbone interact. energy: -0.502 local terms energy: -890.579357 where: bonds (distance) C4'-P energy: -139.143 bonds (distance) P-C4' energy: -168.398 flat angles C4'-P-C4' energy: -196.978 flat angles P-C4'-P energy: -128.769 tors. eta vs tors. theta energy: -257.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -2804.768446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.768446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.768446 (E_RNA) where: Base-Base interactions energy: -1940.477 where: short stacking energy: -846.091 Base-Backbone interact. energy: -4.549 local terms energy: -859.742727 where: bonds (distance) C4'-P energy: -145.186 bonds (distance) P-C4' energy: -161.168 flat angles C4'-P-C4' energy: -175.352 flat angles P-C4'-P energy: -119.033 tors. eta vs tors. theta energy: -259.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2697.631145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.631145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.631145 (E_RNA) where: Base-Base interactions energy: -1891.316 where: short stacking energy: -840.097 Base-Backbone interact. energy: -2.101 local terms energy: -804.214202 where: bonds (distance) C4'-P energy: -144.514 bonds (distance) P-C4' energy: -157.789 flat angles C4'-P-C4' energy: -166.923 flat angles P-C4'-P energy: -91.926 tors. eta vs tors. theta energy: -243.063 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: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2465.984190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.984190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.984190 (E_RNA) where: Base-Base interactions energy: -1685.785 where: short stacking energy: -735.587 Base-Backbone interact. energy: 1.458 local terms energy: -781.656885 where: bonds (distance) C4'-P energy: -141.674 bonds (distance) P-C4' energy: -161.907 flat angles C4'-P-C4' energy: -171.004 flat angles P-C4'-P energy: -113.121 tors. eta vs tors. theta energy: -193.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2412.019587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.019587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.019587 (E_RNA) where: Base-Base interactions energy: -1653.360 where: short stacking energy: -722.640 Base-Backbone interact. energy: -1.316 local terms energy: -757.343229 where: bonds (distance) C4'-P energy: -133.654 bonds (distance) P-C4' energy: -134.128 flat angles C4'-P-C4' energy: -179.927 flat angles P-C4'-P energy: -108.043 tors. eta vs tors. theta energy: -201.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2152.902393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.902393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.902393 (E_RNA) where: Base-Base interactions energy: -1479.009 where: short stacking energy: -639.267 Base-Backbone interact. energy: 1.875 local terms energy: -675.767946 where: bonds (distance) C4'-P energy: -127.645 bonds (distance) P-C4' energy: -146.058 flat angles C4'-P-C4' energy: -142.052 flat angles P-C4'-P energy: -111.945 tors. eta vs tors. theta energy: -148.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1738.709770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.709770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.709770 (E_RNA) where: Base-Base interactions energy: -1130.073 where: short stacking energy: -506.013 Base-Backbone interact. energy: 2.600 local terms energy: -611.236317 where: bonds (distance) C4'-P energy: -135.976 bonds (distance) P-C4' energy: -142.264 flat angles C4'-P-C4' energy: -136.089 flat angles P-C4'-P energy: -94.084 tors. eta vs tors. theta energy: -102.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1546.626971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.626971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.626971 (E_RNA) where: Base-Base interactions energy: -966.004 where: short stacking energy: -429.979 Base-Backbone interact. energy: -4.053 local terms energy: -576.569880 where: bonds (distance) C4'-P energy: -130.511 bonds (distance) P-C4' energy: -151.301 flat angles C4'-P-C4' energy: -159.127 flat angles P-C4'-P energy: -69.361 tors. eta vs tors. theta energy: -66.270 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: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1283.881337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.881337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.881337 (E_RNA) where: Base-Base interactions energy: -757.253 where: short stacking energy: -355.997 Base-Backbone interact. energy: 6.344 local terms energy: -532.972794 where: bonds (distance) C4'-P energy: -143.179 bonds (distance) P-C4' energy: -127.043 flat angles C4'-P-C4' energy: -136.638 flat angles P-C4'-P energy: -87.445 tors. eta vs tors. theta energy: -38.668 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: 10 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3016.341716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.341716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.341716 (E_RNA) where: Base-Base interactions energy: -2126.691 where: short stacking energy: -879.752 Base-Backbone interact. energy: -2.343 local terms energy: -887.308330 where: bonds (distance) C4'-P energy: -170.201 bonds (distance) P-C4' energy: -159.711 flat angles C4'-P-C4' energy: -191.509 flat angles P-C4'-P energy: -119.308 tors. eta vs tors. theta energy: -246.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -2894.755674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.755674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.755674 (E_RNA) where: Base-Base interactions energy: -2001.141 where: short stacking energy: -862.697 Base-Backbone interact. energy: -2.009 local terms energy: -891.606034 where: bonds (distance) C4'-P energy: -169.042 bonds (distance) P-C4' energy: -162.245 flat angles C4'-P-C4' energy: -184.587 flat angles P-C4'-P energy: -118.147 tors. eta vs tors. theta energy: -257.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -2794.680062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.680062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.680062 (E_RNA) where: Base-Base interactions energy: -1946.425 where: short stacking energy: -854.491 Base-Backbone interact. energy: -1.181 local terms energy: -847.073717 where: bonds (distance) C4'-P energy: -159.935 bonds (distance) P-C4' energy: -132.532 flat angles C4'-P-C4' energy: -192.681 flat angles P-C4'-P energy: -121.886 tors. eta vs tors. theta energy: -240.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2759.055425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.055425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.055425 (E_RNA) where: Base-Base interactions energy: -1954.210 where: short stacking energy: -862.117 Base-Backbone interact. energy: -3.585 local terms energy: -801.260429 where: bonds (distance) C4'-P energy: -143.898 bonds (distance) P-C4' energy: -143.326 flat angles C4'-P-C4' energy: -172.026 flat angles P-C4'-P energy: -103.521 tors. eta vs tors. theta energy: -238.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2508.930467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.930467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.930467 (E_RNA) where: Base-Base interactions energy: -1736.841 where: short stacking energy: -776.350 Base-Backbone interact. energy: 1.377 local terms energy: -773.466955 where: bonds (distance) C4'-P energy: -151.200 bonds (distance) P-C4' energy: -143.141 flat angles C4'-P-C4' energy: -160.411 flat angles P-C4'-P energy: -109.186 tors. eta vs tors. theta energy: -209.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2353.752063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.752063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.752063 (E_RNA) where: Base-Base interactions energy: -1599.841 where: short stacking energy: -666.104 Base-Backbone interact. energy: -3.336 local terms energy: -750.575637 where: bonds (distance) C4'-P energy: -130.432 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -172.887 flat angles P-C4'-P energy: -112.160 tors. eta vs tors. theta energy: -177.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2123.508086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.508086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.508086 (E_RNA) where: Base-Base interactions energy: -1459.351 where: short stacking energy: -648.197 Base-Backbone interact. energy: 2.558 local terms energy: -666.715809 where: bonds (distance) C4'-P energy: -121.240 bonds (distance) P-C4' energy: -128.355 flat angles C4'-P-C4' energy: -157.700 flat angles P-C4'-P energy: -98.861 tors. eta vs tors. theta energy: -160.560 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: 388 Temperature: 1.250000 Total energy: -1737.305354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.305354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.305354 (E_RNA) where: Base-Base interactions energy: -1139.367 where: short stacking energy: -531.051 Base-Backbone interact. energy: -0.753 local terms energy: -597.185448 where: bonds (distance) C4'-P energy: -137.203 bonds (distance) P-C4' energy: -139.259 flat angles C4'-P-C4' energy: -132.429 flat angles P-C4'-P energy: -68.701 tors. eta vs tors. theta energy: -119.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1436.054750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.054750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.054750 (E_RNA) where: Base-Base interactions energy: -904.126 where: short stacking energy: -400.567 Base-Backbone interact. energy: 1.693 local terms energy: -533.620851 where: bonds (distance) C4'-P energy: -134.125 bonds (distance) P-C4' energy: -135.237 flat angles C4'-P-C4' energy: -132.528 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -58.198 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: 4 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1272.846903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.846903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.846903 (E_RNA) where: Base-Base interactions energy: -777.623 where: short stacking energy: -376.188 Base-Backbone interact. energy: -2.547 local terms energy: -492.676573 where: bonds (distance) C4'-P energy: -114.007 bonds (distance) P-C4' energy: -121.069 flat angles C4'-P-C4' energy: -126.724 flat angles P-C4'-P energy: -79.305 tors. eta vs tors. theta energy: -51.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3032.517535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.517535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.517535 (E_RNA) where: Base-Base interactions energy: -2142.589 where: short stacking energy: -890.579 Base-Backbone interact. energy: -1.873 local terms energy: -888.055580 where: bonds (distance) C4'-P energy: -159.070 bonds (distance) P-C4' energy: -154.362 flat angles C4'-P-C4' energy: -190.002 flat angles P-C4'-P energy: -140.669 tors. eta vs tors. theta energy: -243.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -2883.972429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.972429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.972429 (E_RNA) where: Base-Base interactions energy: -2025.515 where: short stacking energy: -872.057 Base-Backbone interact. energy: -3.110 local terms energy: -855.347517 where: bonds (distance) C4'-P energy: -152.417 bonds (distance) P-C4' energy: -160.797 flat angles C4'-P-C4' energy: -177.651 flat angles P-C4'-P energy: -117.213 tors. eta vs tors. theta energy: -247.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -2803.806550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.806550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.806550 (E_RNA) where: Base-Base interactions energy: -1966.612 where: short stacking energy: -855.316 Base-Backbone interact. energy: -5.046 local terms energy: -832.148461 where: bonds (distance) C4'-P energy: -142.705 bonds (distance) P-C4' energy: -169.029 flat angles C4'-P-C4' energy: -167.803 flat angles P-C4'-P energy: -115.219 tors. eta vs tors. theta energy: -237.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2709.380843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.380843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.380843 (E_RNA) where: Base-Base interactions energy: -1894.902 where: short stacking energy: -805.084 Base-Backbone interact. energy: -0.150 local terms energy: -814.328894 where: bonds (distance) C4'-P energy: -145.183 bonds (distance) P-C4' energy: -160.870 flat angles C4'-P-C4' energy: -179.544 flat angles P-C4'-P energy: -105.237 tors. eta vs tors. theta energy: -223.495 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: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2503.315505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.315505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.315505 (E_RNA) where: Base-Base interactions energy: -1716.516 where: short stacking energy: -745.317 Base-Backbone interact. energy: -1.931 local terms energy: -784.867751 where: bonds (distance) C4'-P energy: -137.607 bonds (distance) P-C4' energy: -153.088 flat angles C4'-P-C4' energy: -169.817 flat angles P-C4'-P energy: -122.753 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: 6, replica: 3 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2318.161970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.161970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.161970 (E_RNA) where: Base-Base interactions energy: -1573.273 where: short stacking energy: -680.683 Base-Backbone interact. energy: -2.634 local terms energy: -742.255315 where: bonds (distance) C4'-P energy: -147.356 bonds (distance) P-C4' energy: -141.244 flat angles C4'-P-C4' energy: -152.348 flat angles P-C4'-P energy: -121.203 tors. eta vs tors. theta energy: -180.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2060.107662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.107662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.107662 (E_RNA) where: Base-Base interactions energy: -1402.501 where: short stacking energy: -611.083 Base-Backbone interact. energy: 0.251 local terms energy: -657.857806 where: bonds (distance) C4'-P energy: -158.812 bonds (distance) P-C4' energy: -134.661 flat angles C4'-P-C4' energy: -146.021 flat angles P-C4'-P energy: -77.504 tors. eta vs tors. theta energy: -140.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1776.824148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.824148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.824148 (E_RNA) where: Base-Base interactions energy: -1140.236 where: short stacking energy: -531.494 Base-Backbone interact. energy: 0.968 local terms energy: -637.556119 where: bonds (distance) C4'-P energy: -132.642 bonds (distance) P-C4' energy: -146.803 flat angles C4'-P-C4' energy: -160.275 flat angles P-C4'-P energy: -81.945 tors. eta vs tors. theta energy: -115.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1525.177887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.177887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.177887 (E_RNA) where: Base-Base interactions energy: -938.179 where: short stacking energy: -421.343 Base-Backbone interact. energy: 5.044 local terms energy: -592.042111 where: bonds (distance) C4'-P energy: -133.348 bonds (distance) P-C4' energy: -141.003 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -97.970 tors. eta vs tors. theta energy: -62.007 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: 4 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1151.182532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.182532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.182532 (E_RNA) where: Base-Base interactions energy: -696.122 where: short stacking energy: -319.777 Base-Backbone interact. energy: 3.401 local terms energy: -458.461495 where: bonds (distance) C4'-P energy: -121.094 bonds (distance) P-C4' energy: -135.244 flat angles C4'-P-C4' energy: -101.271 flat angles P-C4'-P energy: -71.117 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: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3042.180444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.180444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.180444 (E_RNA) where: Base-Base interactions energy: -2157.797 where: short stacking energy: -876.031 Base-Backbone interact. energy: -4.192 local terms energy: -880.191738 where: bonds (distance) C4'-P energy: -161.487 bonds (distance) P-C4' energy: -162.441 flat angles C4'-P-C4' energy: -198.010 flat angles P-C4'-P energy: -122.313 tors. eta vs tors. theta energy: -235.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -2927.513805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.513805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.513805 (E_RNA) where: Base-Base interactions energy: -2059.954 where: short stacking energy: -891.557 Base-Backbone interact. energy: -0.608 local terms energy: -866.951979 where: bonds (distance) C4'-P energy: -144.279 bonds (distance) P-C4' energy: -165.136 flat angles C4'-P-C4' energy: -188.190 flat angles P-C4'-P energy: -108.866 tors. eta vs tors. theta energy: -260.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -2822.996934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.996934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.996934 (E_RNA) where: Base-Base interactions energy: -1949.151 where: short stacking energy: -847.074 Base-Backbone interact. energy: -7.690 local terms energy: -866.155194 where: bonds (distance) C4'-P energy: -162.821 bonds (distance) P-C4' energy: -146.083 flat angles C4'-P-C4' energy: -192.473 flat angles P-C4'-P energy: -125.960 tors. eta vs tors. theta energy: -238.819 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: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2697.021026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.021026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.021026 (E_RNA) where: Base-Base interactions energy: -1850.298 where: short stacking energy: -783.114 Base-Backbone interact. energy: -0.773 local terms energy: -845.950656 where: bonds (distance) C4'-P energy: -139.352 bonds (distance) P-C4' energy: -168.834 flat angles C4'-P-C4' energy: -183.233 flat angles P-C4'-P energy: -123.374 tors. eta vs tors. theta energy: -231.158 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: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2499.816031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.816031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.816031 (E_RNA) where: Base-Base interactions energy: -1738.939 where: short stacking energy: -728.550 Base-Backbone interact. energy: -5.209 local terms energy: -755.668337 where: bonds (distance) C4'-P energy: -149.703 bonds (distance) P-C4' energy: -143.818 flat angles C4'-P-C4' energy: -173.557 flat angles P-C4'-P energy: -100.970 tors. eta vs tors. theta energy: -187.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2334.912085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.912085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.912085 (E_RNA) where: Base-Base interactions energy: -1633.665 where: short stacking energy: -691.787 Base-Backbone interact. energy: -3.616 local terms energy: -697.631141 where: bonds (distance) C4'-P energy: -133.503 bonds (distance) P-C4' energy: -132.060 flat angles C4'-P-C4' energy: -169.970 flat angles P-C4'-P energy: -86.579 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: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2125.106100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.106100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.106100 (E_RNA) where: Base-Base interactions energy: -1457.287 where: short stacking energy: -596.111 Base-Backbone interact. energy: 1.215 local terms energy: -669.034594 where: bonds (distance) C4'-P energy: -134.195 bonds (distance) P-C4' energy: -125.293 flat angles C4'-P-C4' energy: -165.628 flat angles P-C4'-P energy: -94.007 tors. eta vs tors. theta energy: -149.912 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: 8, replica: 8 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1725.277946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.277946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.277946 (E_RNA) where: Base-Base interactions energy: -1109.346 where: short stacking energy: -515.231 Base-Backbone interact. energy: 0.500 local terms energy: -616.431483 where: bonds (distance) C4'-P energy: -124.687 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -155.774 flat angles P-C4'-P energy: -87.652 tors. eta vs tors. theta energy: -107.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1487.767666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.767666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.767666 (E_RNA) where: Base-Base interactions energy: -1005.628 where: short stacking energy: -448.078 Base-Backbone interact. energy: -1.181 local terms energy: -480.959178 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -121.239 flat angles C4'-P-C4' energy: -126.666 flat angles P-C4'-P energy: -60.916 tors. eta vs tors. theta energy: -75.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1235.973310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.973310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.973310 (E_RNA) where: Base-Base interactions energy: -731.461 where: short stacking energy: -358.748 Base-Backbone interact. energy: -3.451 local terms energy: -501.061214 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -119.294 flat angles C4'-P-C4' energy: -123.624 flat angles P-C4'-P energy: -74.000 tors. eta vs tors. theta energy: -39.929 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: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3025.207724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.207724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.207724 (E_RNA) where: Base-Base interactions energy: -2121.665 where: short stacking energy: -886.941 Base-Backbone interact. energy: -2.921 local terms energy: -900.622361 where: bonds (distance) C4'-P energy: -157.051 bonds (distance) P-C4' energy: -161.489 flat angles C4'-P-C4' energy: -199.540 flat angles P-C4'-P energy: -132.880 tors. eta vs tors. theta energy: -249.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -2890.145749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.145749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.145749 (E_RNA) where: Base-Base interactions energy: -1976.625 where: short stacking energy: -861.760 Base-Backbone interact. energy: -4.513 local terms energy: -909.008259 where: bonds (distance) C4'-P energy: -164.803 bonds (distance) P-C4' energy: -172.292 flat angles C4'-P-C4' energy: -187.141 flat angles P-C4'-P energy: -134.167 tors. eta vs tors. theta energy: -250.605 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: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -2831.598055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.598055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.598055 (E_RNA) where: Base-Base interactions energy: -1992.132 where: short stacking energy: -863.050 Base-Backbone interact. energy: -1.848 local terms energy: -837.618378 where: bonds (distance) C4'-P energy: -154.315 bonds (distance) P-C4' energy: -128.642 flat angles C4'-P-C4' energy: -191.796 flat angles P-C4'-P energy: -115.201 tors. eta vs tors. theta energy: -247.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2712.639825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.639825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.639825 (E_RNA) where: Base-Base interactions energy: -1874.703 where: short stacking energy: -780.915 Base-Backbone interact. energy: -5.314 local terms energy: -832.622801 where: bonds (distance) C4'-P energy: -155.724 bonds (distance) P-C4' energy: -157.548 flat angles C4'-P-C4' energy: -175.054 flat angles P-C4'-P energy: -118.647 tors. eta vs tors. theta energy: -225.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2492.364041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.364041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.364041 (E_RNA) where: Base-Base interactions energy: -1712.373 where: short stacking energy: -724.439 Base-Backbone interact. energy: -1.444 local terms energy: -778.546552 where: bonds (distance) C4'-P energy: -139.938 bonds (distance) P-C4' energy: -156.315 flat angles C4'-P-C4' energy: -180.538 flat angles P-C4'-P energy: -107.177 tors. eta vs tors. theta energy: -194.578 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: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2305.362635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.362635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.362635 (E_RNA) where: Base-Base interactions energy: -1571.331 where: short stacking energy: -696.942 Base-Backbone interact. energy: 1.188 local terms energy: -735.219572 where: bonds (distance) C4'-P energy: -145.320 bonds (distance) P-C4' energy: -167.186 flat angles C4'-P-C4' energy: -143.591 flat angles P-C4'-P energy: -98.012 tors. eta vs tors. theta energy: -181.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2081.631655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.631655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.631655 (E_RNA) where: Base-Base interactions energy: -1392.065 where: short stacking energy: -622.876 Base-Backbone interact. energy: -2.816 local terms energy: -686.751554 where: bonds (distance) C4'-P energy: -129.346 bonds (distance) P-C4' energy: -138.500 flat angles C4'-P-C4' energy: -164.915 flat angles P-C4'-P energy: -108.751 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1689.156229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.156229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.156229 (E_RNA) where: Base-Base interactions energy: -1084.263 where: short stacking energy: -488.865 Base-Backbone interact. energy: 0.738 local terms energy: -605.631292 where: bonds (distance) C4'-P energy: -138.391 bonds (distance) P-C4' energy: -136.249 flat angles C4'-P-C4' energy: -153.993 flat angles P-C4'-P energy: -84.165 tors. eta vs tors. theta energy: -92.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1553.686634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.686634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.686634 (E_RNA) where: Base-Base interactions energy: -1015.717 where: short stacking energy: -437.519 Base-Backbone interact. energy: 5.931 local terms energy: -543.900326 where: bonds (distance) C4'-P energy: -138.170 bonds (distance) P-C4' energy: -127.130 flat angles C4'-P-C4' energy: -131.762 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -73.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1196.565369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.565369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.565369 (E_RNA) where: Base-Base interactions energy: -696.100 where: short stacking energy: -332.895 Base-Backbone interact. energy: 2.132 local terms energy: -502.596568 where: bonds (distance) C4'-P energy: -121.269 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -134.782 flat angles P-C4'-P energy: -64.582 tors. eta vs tors. theta energy: -29.437 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: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3044.359606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.359606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.359606 (E_RNA) where: Base-Base interactions energy: -2148.544 where: short stacking energy: -884.306 Base-Backbone interact. energy: -3.611 local terms energy: -892.205070 where: bonds (distance) C4'-P energy: -157.749 bonds (distance) P-C4' energy: -166.552 flat angles C4'-P-C4' energy: -179.354 flat angles P-C4'-P energy: -130.547 tors. eta vs tors. theta energy: -258.004 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: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -2907.535569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.535569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.535569 (E_RNA) where: Base-Base interactions energy: -1997.767 where: short stacking energy: -882.556 Base-Backbone interact. energy: -3.211 local terms energy: -906.557992 where: bonds (distance) C4'-P energy: -164.314 bonds (distance) P-C4' energy: -172.709 flat angles C4'-P-C4' energy: -189.753 flat angles P-C4'-P energy: -117.407 tors. eta vs tors. theta energy: -262.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -2852.908735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.908735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.908735 (E_RNA) where: Base-Base interactions energy: -1984.713 where: short stacking energy: -878.188 Base-Backbone interact. energy: -2.844 local terms energy: -865.351054 where: bonds (distance) C4'-P energy: -157.077 bonds (distance) P-C4' energy: -155.416 flat angles C4'-P-C4' energy: -191.131 flat angles P-C4'-P energy: -105.195 tors. eta vs tors. theta energy: -256.532 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: 5 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2677.103334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.103334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.103334 (E_RNA) where: Base-Base interactions energy: -1865.402 where: short stacking energy: -830.520 Base-Backbone interact. energy: -4.366 local terms energy: -807.335473 where: bonds (distance) C4'-P energy: -153.634 bonds (distance) P-C4' energy: -145.041 flat angles C4'-P-C4' energy: -177.752 flat angles P-C4'-P energy: -92.076 tors. eta vs tors. theta energy: -238.833 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: 7 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2499.148500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.148500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.148500 (E_RNA) where: Base-Base interactions energy: -1707.858 where: short stacking energy: -733.751 Base-Backbone interact. energy: 5.709 local terms energy: -796.999111 where: bonds (distance) C4'-P energy: -148.498 bonds (distance) P-C4' energy: -153.055 flat angles C4'-P-C4' energy: -170.627 flat angles P-C4'-P energy: -121.886 tors. eta vs tors. theta energy: -202.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2279.035329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.035329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.035329 (E_RNA) where: Base-Base interactions energy: -1528.794 where: short stacking energy: -671.588 Base-Backbone interact. energy: 3.345 local terms energy: -753.585446 where: bonds (distance) C4'-P energy: -135.666 bonds (distance) P-C4' energy: -157.920 flat angles C4'-P-C4' energy: -179.902 flat angles P-C4'-P energy: -109.200 tors. eta vs tors. theta energy: -170.898 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2124.561958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.561958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.561958 (E_RNA) where: Base-Base interactions energy: -1468.676 where: short stacking energy: -614.208 Base-Backbone interact. energy: -3.381 local terms energy: -652.504703 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -144.683 flat angles C4'-P-C4' energy: -147.539 flat angles P-C4'-P energy: -93.027 tors. eta vs tors. theta energy: -132.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1768.931091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.931091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.931091 (E_RNA) where: Base-Base interactions energy: -1151.587 where: short stacking energy: -518.154 Base-Backbone interact. energy: 3.497 local terms energy: -620.840544 where: bonds (distance) C4'-P energy: -133.153 bonds (distance) P-C4' energy: -150.601 flat angles C4'-P-C4' energy: -148.869 flat angles P-C4'-P energy: -89.057 tors. eta vs tors. theta energy: -99.159 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: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1492.346065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.346065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.346065 (E_RNA) where: Base-Base interactions energy: -917.710 where: short stacking energy: -407.003 Base-Backbone interact. energy: 9.112 local terms energy: -583.748927 where: bonds (distance) C4'-P energy: -155.659 bonds (distance) P-C4' energy: -121.790 flat angles C4'-P-C4' energy: -138.922 flat angles P-C4'-P energy: -94.864 tors. eta vs tors. theta energy: -72.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1149.152376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.152376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.152376 (E_RNA) where: Base-Base interactions energy: -702.226 where: short stacking energy: -307.489 Base-Backbone interact. energy: 0.105 local terms energy: -447.031063 where: bonds (distance) C4'-P energy: -103.896 bonds (distance) P-C4' energy: -157.474 flat angles C4'-P-C4' energy: -101.835 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -30.799 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: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3049.938302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.938302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.938302 (E_RNA) where: Base-Base interactions energy: -2131.948 where: short stacking energy: -879.039 Base-Backbone interact. energy: -3.978 local terms energy: -914.012741 where: bonds (distance) C4'-P energy: -174.291 bonds (distance) P-C4' energy: -158.396 flat angles C4'-P-C4' energy: -191.629 flat angles P-C4'-P energy: -139.544 tors. eta vs tors. theta energy: -250.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -2905.500890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.500890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.500890 (E_RNA) where: Base-Base interactions energy: -2032.200 where: short stacking energy: -868.558 Base-Backbone interact. energy: -1.903 local terms energy: -871.398273 where: bonds (distance) C4'-P energy: -149.554 bonds (distance) P-C4' energy: -157.833 flat angles C4'-P-C4' energy: -185.139 flat angles P-C4'-P energy: -123.629 tors. eta vs tors. theta energy: -255.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -2823.353792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.353792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.353792 (E_RNA) where: Base-Base interactions energy: -1966.232 where: short stacking energy: -835.314 Base-Backbone interact. energy: 0.556 local terms energy: -857.678026 where: bonds (distance) C4'-P energy: -163.068 bonds (distance) P-C4' energy: -159.110 flat angles C4'-P-C4' energy: -175.427 flat angles P-C4'-P energy: -115.421 tors. eta vs tors. theta energy: -244.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2736.464489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.464489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.464489 (E_RNA) where: Base-Base interactions energy: -1884.882 where: short stacking energy: -837.790 Base-Backbone interact. energy: -3.769 local terms energy: -847.813935 where: bonds (distance) C4'-P energy: -144.787 bonds (distance) P-C4' energy: -157.510 flat angles C4'-P-C4' energy: -183.950 flat angles P-C4'-P energy: -117.330 tors. eta vs tors. theta energy: -244.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2488.223698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.223698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.223698 (E_RNA) where: Base-Base interactions energy: -1725.942 where: short stacking energy: -744.904 Base-Backbone interact. energy: 5.864 local terms energy: -768.145900 where: bonds (distance) C4'-P energy: -136.403 bonds (distance) P-C4' energy: -146.787 flat angles C4'-P-C4' energy: -162.534 flat angles P-C4'-P energy: -124.023 tors. eta vs tors. theta energy: -198.398 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: 6, replica: 3 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2282.369938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.369938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.369938 (E_RNA) where: Base-Base interactions energy: -1556.114 where: short stacking energy: -717.856 Base-Backbone interact. energy: -0.339 local terms energy: -725.916949 where: bonds (distance) C4'-P energy: -124.058 bonds (distance) P-C4' energy: -149.402 flat angles C4'-P-C4' energy: -162.951 flat angles P-C4'-P energy: -95.541 tors. eta vs tors. theta energy: -193.964 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: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2102.763338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.763338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.763338 (E_RNA) where: Base-Base interactions energy: -1461.375 where: short stacking energy: -620.855 Base-Backbone interact. energy: 1.775 local terms energy: -643.164170 where: bonds (distance) C4'-P energy: -133.518 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -143.986 flat angles P-C4'-P energy: -91.677 tors. eta vs tors. theta energy: -141.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1724.842701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.842701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.842701 (E_RNA) where: Base-Base interactions energy: -1120.739 where: short stacking energy: -494.525 Base-Backbone interact. energy: -2.106 local terms energy: -601.997832 where: bonds (distance) C4'-P energy: -121.274 bonds (distance) P-C4' energy: -128.429 flat angles C4'-P-C4' energy: -146.265 flat angles P-C4'-P energy: -89.739 tors. eta vs tors. theta energy: -116.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1455.312464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.312464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.312464 (E_RNA) where: Base-Base interactions energy: -930.263 where: short stacking energy: -412.423 Base-Backbone interact. energy: 9.357 local terms energy: -534.405862 where: bonds (distance) C4'-P energy: -136.254 bonds (distance) P-C4' energy: -131.990 flat angles C4'-P-C4' energy: -138.351 flat angles P-C4'-P energy: -70.376 tors. eta vs tors. theta energy: -57.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1201.560889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.560889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.560889 (E_RNA) where: Base-Base interactions energy: -715.767 where: short stacking energy: -364.191 Base-Backbone interact. energy: 5.397 local terms energy: -491.191454 where: bonds (distance) C4'-P energy: -124.126 bonds (distance) P-C4' energy: -121.556 flat angles C4'-P-C4' energy: -126.238 flat angles P-C4'-P energy: -80.385 tors. eta vs tors. theta energy: -38.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3043.902474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.902474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.902474 (E_RNA) where: Base-Base interactions energy: -2139.690 where: short stacking energy: -872.760 Base-Backbone interact. energy: -2.339 local terms energy: -901.874012 where: bonds (distance) C4'-P energy: -171.558 bonds (distance) P-C4' energy: -159.928 flat angles C4'-P-C4' energy: -180.280 flat angles P-C4'-P energy: -143.421 tors. eta vs tors. theta energy: -246.687 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: 394 Temperature: 0.950000 Total energy: -2921.864732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.864732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.864732 (E_RNA) where: Base-Base interactions energy: -2008.103 where: short stacking energy: -882.290 Base-Backbone interact. energy: -1.240 local terms energy: -912.521855 where: bonds (distance) C4'-P energy: -156.401 bonds (distance) P-C4' energy: -162.360 flat angles C4'-P-C4' energy: -193.769 flat angles P-C4'-P energy: -132.173 tors. eta vs tors. theta energy: -267.819 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: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -2840.820849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.820849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.820849 (E_RNA) where: Base-Base interactions energy: -1969.602 where: short stacking energy: -852.862 Base-Backbone interact. energy: -2.472 local terms energy: -868.747084 where: bonds (distance) C4'-P energy: -164.888 bonds (distance) P-C4' energy: -157.265 flat angles C4'-P-C4' energy: -177.805 flat angles P-C4'-P energy: -124.079 tors. eta vs tors. theta energy: -244.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2691.738766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.738766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.738766 (E_RNA) where: Base-Base interactions energy: -1881.043 where: short stacking energy: -805.689 Base-Backbone interact. energy: -4.792 local terms energy: -805.904130 where: bonds (distance) C4'-P energy: -136.804 bonds (distance) P-C4' energy: -130.631 flat angles C4'-P-C4' energy: -175.006 flat angles P-C4'-P energy: -124.510 tors. eta vs tors. theta energy: -238.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2484.632122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.632122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.632122 (E_RNA) where: Base-Base interactions energy: -1721.870 where: short stacking energy: -740.919 Base-Backbone interact. energy: -1.520 local terms energy: -761.241867 where: bonds (distance) C4'-P energy: -150.847 bonds (distance) P-C4' energy: -158.138 flat angles C4'-P-C4' energy: -168.691 flat angles P-C4'-P energy: -101.552 tors. eta vs tors. theta energy: -182.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2219.664104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.664104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.664104 (E_RNA) where: Base-Base interactions energy: -1466.162 where: short stacking energy: -660.644 Base-Backbone interact. energy: -3.753 local terms energy: -749.748329 where: bonds (distance) C4'-P energy: -135.105 bonds (distance) P-C4' energy: -153.023 flat angles C4'-P-C4' energy: -170.164 flat angles P-C4'-P energy: -117.894 tors. eta vs tors. theta energy: -173.562 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: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2086.153167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.153167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.153167 (E_RNA) where: Base-Base interactions energy: -1425.088 where: short stacking energy: -595.662 Base-Backbone interact. energy: 1.211 local terms energy: -662.275875 where: bonds (distance) C4'-P energy: -148.208 bonds (distance) P-C4' energy: -116.947 flat angles C4'-P-C4' energy: -175.033 flat angles P-C4'-P energy: -86.912 tors. eta vs tors. theta energy: -135.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1701.771047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.771047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.771047 (E_RNA) where: Base-Base interactions energy: -1076.596 where: short stacking energy: -497.335 Base-Backbone interact. energy: 2.457 local terms energy: -627.631791 where: bonds (distance) C4'-P energy: -135.299 bonds (distance) P-C4' energy: -139.480 flat angles C4'-P-C4' energy: -157.159 flat angles P-C4'-P energy: -106.317 tors. eta vs tors. theta energy: -89.377 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: 9 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1452.439259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.439259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.439259 (E_RNA) where: Base-Base interactions energy: -921.148 where: short stacking energy: -413.508 Base-Backbone interact. energy: 0.285 local terms energy: -531.575637 where: bonds (distance) C4'-P energy: -145.431 bonds (distance) P-C4' energy: -140.223 flat angles C4'-P-C4' energy: -123.033 flat angles P-C4'-P energy: -75.613 tors. eta vs tors. theta energy: -47.276 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: 4 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1143.427525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.427525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.427525 (E_RNA) where: Base-Base interactions energy: -701.011 where: short stacking energy: -340.027 Base-Backbone interact. energy: 6.418 local terms energy: -448.834106 where: bonds (distance) C4'-P energy: -103.473 bonds (distance) P-C4' energy: -123.255 flat angles C4'-P-C4' energy: -122.601 flat angles P-C4'-P energy: -61.453 tors. eta vs tors. theta energy: -38.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3036.845236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.845236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.845236 (E_RNA) where: Base-Base interactions energy: -2130.865 where: short stacking energy: -861.138 Base-Backbone interact. energy: -2.973 local terms energy: -903.006487 where: bonds (distance) C4'-P energy: -153.784 bonds (distance) P-C4' energy: -181.630 flat angles C4'-P-C4' energy: -182.641 flat angles P-C4'-P energy: -133.330 tors. eta vs tors. theta energy: -251.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -2903.604485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.604485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.604485 (E_RNA) where: Base-Base interactions energy: -2005.090 where: short stacking energy: -902.898 Base-Backbone interact. energy: -1.163 local terms energy: -897.351300 where: bonds (distance) C4'-P energy: -153.428 bonds (distance) P-C4' energy: -161.071 flat angles C4'-P-C4' energy: -192.111 flat angles P-C4'-P energy: -138.521 tors. eta vs tors. theta energy: -252.220 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: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -2845.247289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.247289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.247289 (E_RNA) where: Base-Base interactions energy: -1994.486 where: short stacking energy: -848.241 Base-Backbone interact. energy: -1.009 local terms energy: -849.751657 where: bonds (distance) C4'-P energy: -148.085 bonds (distance) P-C4' energy: -156.924 flat angles C4'-P-C4' energy: -186.992 flat angles P-C4'-P energy: -124.177 tors. eta vs tors. theta energy: -233.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2692.673276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.673276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.673276 (E_RNA) where: Base-Base interactions energy: -1879.900 where: short stacking energy: -827.347 Base-Backbone interact. energy: 0.283 local terms energy: -813.056080 where: bonds (distance) C4'-P energy: -143.400 bonds (distance) P-C4' energy: -142.168 flat angles C4'-P-C4' energy: -176.343 flat angles P-C4'-P energy: -108.917 tors. eta vs tors. theta energy: -242.228 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: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2439.020874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.020874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.020874 (E_RNA) where: Base-Base interactions energy: -1693.486 where: short stacking energy: -715.814 Base-Backbone interact. energy: -1.694 local terms energy: -743.840256 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -148.368 flat angles P-C4'-P energy: -91.176 tors. eta vs tors. theta energy: -200.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2169.534775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.534775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.534775 (E_RNA) where: Base-Base interactions energy: -1495.113 where: short stacking energy: -664.618 Base-Backbone interact. energy: -1.884 local terms energy: -672.538253 where: bonds (distance) C4'-P energy: -143.073 bonds (distance) P-C4' energy: -134.728 flat angles C4'-P-C4' energy: -149.843 flat angles P-C4'-P energy: -88.971 tors. eta vs tors. theta energy: -155.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2227.875854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.875854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.875854 (E_RNA) where: Base-Base interactions energy: -1549.775 where: short stacking energy: -651.430 Base-Backbone interact. energy: 3.334 local terms energy: -681.434581 where: bonds (distance) C4'-P energy: -132.099 bonds (distance) P-C4' energy: -156.753 flat angles C4'-P-C4' energy: -144.872 flat angles P-C4'-P energy: -70.835 tors. eta vs tors. theta energy: -176.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1692.735978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.735978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.735978 (E_RNA) where: Base-Base interactions energy: -1071.943 where: short stacking energy: -505.748 Base-Backbone interact. energy: 0.445 local terms energy: -621.238509 where: bonds (distance) C4'-P energy: -117.428 bonds (distance) P-C4' energy: -139.426 flat angles C4'-P-C4' energy: -169.000 flat angles P-C4'-P energy: -90.755 tors. eta vs tors. theta energy: -104.629 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: 9, replica: 9 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1449.716396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.716396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.716396 (E_RNA) where: Base-Base interactions energy: -907.920 where: short stacking energy: -412.843 Base-Backbone interact. energy: -1.469 local terms energy: -540.327752 where: bonds (distance) C4'-P energy: -132.182 bonds (distance) P-C4' energy: -142.249 flat angles C4'-P-C4' energy: -125.387 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -59.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1071.421510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.421510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.421510 (E_RNA) where: Base-Base interactions energy: -644.770 where: short stacking energy: -318.474 Base-Backbone interact. energy: -1.338 local terms energy: -425.312955 where: bonds (distance) C4'-P energy: -120.601 bonds (distance) P-C4' energy: -124.303 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -61.361 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: 1, replica: 10 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3043.938854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.938854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.938854 (E_RNA) where: Base-Base interactions energy: -2134.918 where: short stacking energy: -877.849 Base-Backbone interact. energy: 0.465 local terms energy: -909.486235 where: bonds (distance) C4'-P energy: -169.198 bonds (distance) P-C4' energy: -170.288 flat angles C4'-P-C4' energy: -194.453 flat angles P-C4'-P energy: -129.654 tors. eta vs tors. theta energy: -245.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -2898.295854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.295854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.295854 (E_RNA) where: Base-Base interactions energy: -2013.833 where: short stacking energy: -868.577 Base-Backbone interact. energy: -3.666 local terms energy: -880.796921 where: bonds (distance) C4'-P energy: -161.830 bonds (distance) P-C4' energy: -152.749 flat angles C4'-P-C4' energy: -198.760 flat angles P-C4'-P energy: -120.702 tors. eta vs tors. theta energy: -246.756 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: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -2852.826149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.826149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.826149 (E_RNA) where: Base-Base interactions energy: -2018.058 where: short stacking energy: -850.198 Base-Backbone interact. energy: -4.043 local terms energy: -830.724454 where: bonds (distance) C4'-P energy: -130.997 bonds (distance) P-C4' energy: -158.707 flat angles C4'-P-C4' energy: -183.079 flat angles P-C4'-P energy: -128.859 tors. eta vs tors. theta energy: -229.082 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: 5 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2713.053900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.053900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.053900 (E_RNA) where: Base-Base interactions energy: -1874.517 where: short stacking energy: -824.321 Base-Backbone interact. energy: 2.476 local terms energy: -841.012651 where: bonds (distance) C4'-P energy: -155.752 bonds (distance) P-C4' energy: -147.148 flat angles C4'-P-C4' energy: -187.009 flat angles P-C4'-P energy: -120.475 tors. eta vs tors. theta energy: -230.629 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: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2518.112360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.112360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.112360 (E_RNA) where: Base-Base interactions energy: -1779.642 where: short stacking energy: -751.770 Base-Backbone interact. energy: -1.505 local terms energy: -736.965228 where: bonds (distance) C4'-P energy: -135.518 bonds (distance) P-C4' energy: -148.772 flat angles C4'-P-C4' energy: -161.766 flat angles P-C4'-P energy: -93.804 tors. eta vs tors. theta energy: -197.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2254.733194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.733194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.733194 (E_RNA) where: Base-Base interactions energy: -1540.262 where: short stacking energy: -664.713 Base-Backbone interact. energy: -2.880 local terms energy: -711.591906 where: bonds (distance) C4'-P energy: -130.206 bonds (distance) P-C4' energy: -159.408 flat angles C4'-P-C4' energy: -170.060 flat angles P-C4'-P energy: -91.750 tors. eta vs tors. theta energy: -160.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2232.235956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2232.235956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2232.235956 (E_RNA) where: Base-Base interactions energy: -1539.785 where: short stacking energy: -662.884 Base-Backbone interact. energy: -0.095 local terms energy: -692.355900 where: bonds (distance) C4'-P energy: -132.070 bonds (distance) P-C4' energy: -133.864 flat angles C4'-P-C4' energy: -155.892 flat angles P-C4'-P energy: -89.544 tors. eta vs tors. theta energy: -180.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1760.775052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.775052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.775052 (E_RNA) where: Base-Base interactions energy: -1148.558 where: short stacking energy: -499.394 Base-Backbone interact. energy: -2.263 local terms energy: -609.953215 where: bonds (distance) C4'-P energy: -140.271 bonds (distance) P-C4' energy: -143.613 flat angles C4'-P-C4' energy: -147.157 flat angles P-C4'-P energy: -84.489 tors. eta vs tors. theta energy: -94.423 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: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1581.400415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.400415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.400415 (E_RNA) where: Base-Base interactions energy: -1056.578 where: short stacking energy: -475.965 Base-Backbone interact. energy: 0.253 local terms energy: -525.075879 where: bonds (distance) C4'-P energy: -128.433 bonds (distance) P-C4' energy: -129.693 flat angles C4'-P-C4' energy: -113.818 flat angles P-C4'-P energy: -74.964 tors. eta vs tors. theta energy: -78.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1076.707784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.707784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.707784 (E_RNA) where: Base-Base interactions energy: -590.128 where: short stacking energy: -293.566 Base-Backbone interact. energy: -1.962 local terms energy: -484.617525 where: bonds (distance) C4'-P energy: -109.933 bonds (distance) P-C4' energy: -157.911 flat angles C4'-P-C4' energy: -145.575 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3061.839109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.839109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.839109 (E_RNA) where: Base-Base interactions energy: -2136.537 where: short stacking energy: -881.013 Base-Backbone interact. energy: -4.275 local terms energy: -921.026647 where: bonds (distance) C4'-P energy: -181.262 bonds (distance) P-C4' energy: -166.885 flat angles C4'-P-C4' energy: -181.958 flat angles P-C4'-P energy: -150.131 tors. eta vs tors. theta energy: -240.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -2906.717446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.717446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.717446 (E_RNA) where: Base-Base interactions energy: -2024.990 where: short stacking energy: -885.432 Base-Backbone interact. energy: -6.099 local terms energy: -875.628638 where: bonds (distance) C4'-P energy: -154.537 bonds (distance) P-C4' energy: -151.586 flat angles C4'-P-C4' energy: -193.068 flat angles P-C4'-P energy: -123.022 tors. eta vs tors. theta energy: -253.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -2852.962398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.962398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.962398 (E_RNA) where: Base-Base interactions energy: -2014.696 where: short stacking energy: -842.138 Base-Backbone interact. energy: -2.852 local terms energy: -835.414807 where: bonds (distance) C4'-P energy: -141.364 bonds (distance) P-C4' energy: -159.149 flat angles C4'-P-C4' energy: -177.870 flat angles P-C4'-P energy: -121.223 tors. eta vs tors. theta energy: -235.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2720.191970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.191970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.191970 (E_RNA) where: Base-Base interactions energy: -1894.663 where: short stacking energy: -821.196 Base-Backbone interact. energy: -4.050 local terms energy: -821.478543 where: bonds (distance) C4'-P energy: -145.775 bonds (distance) P-C4' energy: -150.029 flat angles C4'-P-C4' energy: -171.367 flat angles P-C4'-P energy: -114.924 tors. eta vs tors. theta energy: -239.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2471.283658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.283658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.283658 (E_RNA) where: Base-Base interactions energy: -1706.882 where: short stacking energy: -718.940 Base-Backbone interact. energy: -2.494 local terms energy: -761.908239 where: bonds (distance) C4'-P energy: -140.518 bonds (distance) P-C4' energy: -161.140 flat angles C4'-P-C4' energy: -157.353 flat angles P-C4'-P energy: -113.221 tors. eta vs tors. theta energy: -189.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2370.010526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.010526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.010526 (E_RNA) where: Base-Base interactions energy: -1616.278 where: short stacking energy: -714.535 Base-Backbone interact. energy: -0.599 local terms energy: -753.133595 where: bonds (distance) C4'-P energy: -134.275 bonds (distance) P-C4' energy: -146.732 flat angles C4'-P-C4' energy: -177.965 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -199.555 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: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2160.105145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.105145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.105145 (E_RNA) where: Base-Base interactions energy: -1462.493 where: short stacking energy: -628.415 Base-Backbone interact. energy: -0.153 local terms energy: -697.458800 where: bonds (distance) C4'-P energy: -140.197 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -160.102 flat angles P-C4'-P energy: -106.143 tors. eta vs tors. theta energy: -150.732 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: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1742.945916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.945916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.945916 (E_RNA) where: Base-Base interactions energy: -1150.651 where: short stacking energy: -544.674 Base-Backbone interact. energy: -2.155 local terms energy: -590.140128 where: bonds (distance) C4'-P energy: -108.381 bonds (distance) P-C4' energy: -147.195 flat angles C4'-P-C4' energy: -135.423 flat angles P-C4'-P energy: -79.544 tors. eta vs tors. theta energy: -119.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1525.340392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.340392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.340392 (E_RNA) where: Base-Base interactions energy: -1008.451 where: short stacking energy: -417.015 Base-Backbone interact. energy: 1.202 local terms energy: -518.091903 where: bonds (distance) C4'-P energy: -134.168 bonds (distance) P-C4' energy: -121.211 flat angles C4'-P-C4' energy: -122.005 flat angles P-C4'-P energy: -83.367 tors. eta vs tors. theta energy: -57.340 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: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1046.144772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.144772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.144772 (E_RNA) where: Base-Base interactions energy: -592.265 where: short stacking energy: -291.140 Base-Backbone interact. energy: 1.148 local terms energy: -455.027780 where: bonds (distance) C4'-P energy: -122.562 bonds (distance) P-C4' energy: -132.582 flat angles C4'-P-C4' energy: -119.329 flat angles P-C4'-P energy: -58.960 tors. eta vs tors. theta energy: -21.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3034.212338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.212338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.212338 (E_RNA) where: Base-Base interactions energy: -2119.111 where: short stacking energy: -880.400 Base-Backbone interact. energy: -2.834 local terms energy: -912.267348 where: bonds (distance) C4'-P energy: -159.870 bonds (distance) P-C4' energy: -180.864 flat angles C4'-P-C4' energy: -189.067 flat angles P-C4'-P energy: -133.483 tors. eta vs tors. theta energy: -248.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -2898.552726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.552726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.552726 (E_RNA) where: Base-Base interactions energy: -2010.306 where: short stacking energy: -870.546 Base-Backbone interact. energy: -0.873 local terms energy: -887.373265 where: bonds (distance) C4'-P energy: -169.022 bonds (distance) P-C4' energy: -167.273 flat angles C4'-P-C4' energy: -175.800 flat angles P-C4'-P energy: -126.726 tors. eta vs tors. theta energy: -248.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -2835.194730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.194730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.194730 (E_RNA) where: Base-Base interactions energy: -1973.230 where: short stacking energy: -859.545 Base-Backbone interact. energy: -2.143 local terms energy: -859.822010 where: bonds (distance) C4'-P energy: -144.391 bonds (distance) P-C4' energy: -145.374 flat angles C4'-P-C4' energy: -190.251 flat angles P-C4'-P energy: -130.552 tors. eta vs tors. theta energy: -249.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2682.597820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.597820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.597820 (E_RNA) where: Base-Base interactions energy: -1858.158 where: short stacking energy: -778.619 Base-Backbone interact. energy: 1.392 local terms energy: -825.832602 where: bonds (distance) C4'-P energy: -166.097 bonds (distance) P-C4' energy: -153.363 flat angles C4'-P-C4' energy: -180.084 flat angles P-C4'-P energy: -114.145 tors. eta vs tors. theta energy: -212.144 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: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2492.042539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.042539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.042539 (E_RNA) where: Base-Base interactions energy: -1708.783 where: short stacking energy: -747.243 Base-Backbone interact. energy: -1.236 local terms energy: -782.023771 where: bonds (distance) C4'-P energy: -137.390 bonds (distance) P-C4' energy: -149.675 flat angles C4'-P-C4' energy: -176.809 flat angles P-C4'-P energy: -118.891 tors. eta vs tors. theta energy: -199.259 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: 3 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2344.692968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.692968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.692968 (E_RNA) where: Base-Base interactions energy: -1582.532 where: short stacking energy: -672.739 Base-Backbone interact. energy: -3.266 local terms energy: -758.894460 where: bonds (distance) C4'-P energy: -134.499 bonds (distance) P-C4' energy: -159.996 flat angles C4'-P-C4' energy: -170.685 flat angles P-C4'-P energy: -105.370 tors. eta vs tors. theta energy: -188.343 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: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2166.071364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.071364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.071364 (E_RNA) where: Base-Base interactions energy: -1520.490 where: short stacking energy: -632.065 Base-Backbone interact. energy: -3.130 local terms energy: -642.451226 where: bonds (distance) C4'-P energy: -130.787 bonds (distance) P-C4' energy: -139.853 flat angles C4'-P-C4' energy: -148.438 flat angles P-C4'-P energy: -85.622 tors. eta vs tors. theta energy: -137.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1730.739731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.739731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.739731 (E_RNA) where: Base-Base interactions energy: -1138.478 where: short stacking energy: -511.112 Base-Backbone interact. energy: 0.642 local terms energy: -592.904222 where: bonds (distance) C4'-P energy: -132.431 bonds (distance) P-C4' energy: -128.775 flat angles C4'-P-C4' energy: -145.087 flat angles P-C4'-P energy: -81.221 tors. eta vs tors. theta energy: -105.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1522.273951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.273951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.273951 (E_RNA) where: Base-Base interactions energy: -972.296 where: short stacking energy: -443.487 Base-Backbone interact. energy: -1.237 local terms energy: -548.741319 where: bonds (distance) C4'-P energy: -131.924 bonds (distance) P-C4' energy: -132.158 flat angles C4'-P-C4' energy: -136.008 flat angles P-C4'-P energy: -85.993 tors. eta vs tors. theta energy: -62.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1049.890973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.890973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.890973 (E_RNA) where: Base-Base interactions energy: -583.425 where: short stacking energy: -315.046 Base-Backbone interact. energy: 0.446 local terms energy: -466.911527 where: bonds (distance) C4'-P energy: -106.248 bonds (distance) P-C4' energy: -154.863 flat angles C4'-P-C4' energy: -125.156 flat angles P-C4'-P energy: -59.666 tors. eta vs tors. theta energy: -20.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3047.963651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.963651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.963651 (E_RNA) where: Base-Base interactions energy: -2143.940 where: short stacking energy: -895.766 Base-Backbone interact. energy: -3.741 local terms energy: -900.283352 where: bonds (distance) C4'-P energy: -161.524 bonds (distance) P-C4' energy: -162.159 flat angles C4'-P-C4' energy: -195.214 flat angles P-C4'-P energy: -124.470 tors. eta vs tors. theta energy: -256.916 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -2892.787782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.787782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.787782 (E_RNA) where: Base-Base interactions energy: -2009.119 where: short stacking energy: -881.864 Base-Backbone interact. energy: -6.293 local terms energy: -877.375711 where: bonds (distance) C4'-P energy: -160.700 bonds (distance) P-C4' energy: -149.898 flat angles C4'-P-C4' energy: -191.257 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -248.717 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: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -2801.197264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.197264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.197264 (E_RNA) where: Base-Base interactions energy: -1960.791 where: short stacking energy: -861.780 Base-Backbone interact. energy: -2.355 local terms energy: -838.051612 where: bonds (distance) C4'-P energy: -141.069 bonds (distance) P-C4' energy: -152.831 flat angles C4'-P-C4' energy: -173.569 flat angles P-C4'-P energy: -129.152 tors. eta vs tors. theta energy: -241.431 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: 5 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2699.902699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.902699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.902699 (E_RNA) where: Base-Base interactions energy: -1869.854 where: short stacking energy: -785.181 Base-Backbone interact. energy: -5.184 local terms energy: -824.865060 where: bonds (distance) C4'-P energy: -154.581 bonds (distance) P-C4' energy: -150.039 flat angles C4'-P-C4' energy: -168.307 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -231.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2437.860386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.860386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.860386 (E_RNA) where: Base-Base interactions energy: -1681.406 where: short stacking energy: -723.737 Base-Backbone interact. energy: -4.219 local terms energy: -752.235156 where: bonds (distance) C4'-P energy: -143.890 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -169.974 flat angles P-C4'-P energy: -101.634 tors. eta vs tors. theta energy: -199.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2289.541741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.541741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.541741 (E_RNA) where: Base-Base interactions energy: -1591.289 where: short stacking energy: -686.273 Base-Backbone interact. energy: 1.562 local terms energy: -699.815218 where: bonds (distance) C4'-P energy: -135.276 bonds (distance) P-C4' energy: -132.823 flat angles C4'-P-C4' energy: -155.437 flat angles P-C4'-P energy: -104.509 tors. eta vs tors. theta energy: -171.770 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: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2155.220922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.220922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.220922 (E_RNA) where: Base-Base interactions energy: -1490.265 where: short stacking energy: -625.499 Base-Backbone interact. energy: 4.794 local terms energy: -669.749474 where: bonds (distance) C4'-P energy: -149.512 bonds (distance) P-C4' energy: -130.495 flat angles C4'-P-C4' energy: -134.024 flat angles P-C4'-P energy: -93.068 tors. eta vs tors. theta energy: -162.651 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: 399 Temperature: 1.250000 Total energy: -1734.984487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.984487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.984487 (E_RNA) where: Base-Base interactions energy: -1131.130 where: short stacking energy: -519.428 Base-Backbone interact. energy: -0.619 local terms energy: -603.235477 where: bonds (distance) C4'-P energy: -113.894 bonds (distance) P-C4' energy: -141.972 flat angles C4'-P-C4' energy: -130.775 flat angles P-C4'-P energy: -96.183 tors. eta vs tors. theta energy: -120.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1544.380042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.380042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.380042 (E_RNA) where: Base-Base interactions energy: -980.333 where: short stacking energy: -448.047 Base-Backbone interact. energy: -1.454 local terms energy: -562.592890 where: bonds (distance) C4'-P energy: -114.850 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -143.574 flat angles P-C4'-P energy: -72.923 tors. eta vs tors. theta energy: -81.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1013.099623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.099623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.099623 (E_RNA) where: Base-Base interactions energy: -560.071 where: short stacking energy: -290.001 Base-Backbone interact. energy: -2.571 local terms energy: -450.457451 where: bonds (distance) C4'-P energy: -128.204 bonds (distance) P-C4' energy: -139.140 flat angles C4'-P-C4' energy: -116.201 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3043.864943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.864943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.864943 (E_RNA) where: Base-Base interactions energy: -2129.443 where: short stacking energy: -888.159 Base-Backbone interact. energy: -3.199 local terms energy: -911.223130 where: bonds (distance) C4'-P energy: -154.895 bonds (distance) P-C4' energy: -168.235 flat angles C4'-P-C4' energy: -196.959 flat angles P-C4'-P energy: -138.155 tors. eta vs tors. theta energy: -252.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -2856.399215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.399215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.399215 (E_RNA) where: Base-Base interactions energy: -1975.156 where: short stacking energy: -849.111 Base-Backbone interact. energy: -3.293 local terms energy: -877.950437 where: bonds (distance) C4'-P energy: -151.496 bonds (distance) P-C4' energy: -187.011 flat angles C4'-P-C4' energy: -184.183 flat angles P-C4'-P energy: -113.270 tors. eta vs tors. theta energy: -241.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -2775.994076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.994076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.994076 (E_RNA) where: Base-Base interactions energy: -1975.561 where: short stacking energy: -856.699 Base-Backbone interact. energy: -2.850 local terms energy: -797.582569 where: bonds (distance) C4'-P energy: -133.464 bonds (distance) P-C4' energy: -145.158 flat angles C4'-P-C4' energy: -168.322 flat angles P-C4'-P energy: -116.899 tors. eta vs tors. theta energy: -233.739 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: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2670.340432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.340432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.340432 (E_RNA) where: Base-Base interactions energy: -1857.534 where: short stacking energy: -783.907 Base-Backbone interact. energy: 1.555 local terms energy: -814.361154 where: bonds (distance) C4'-P energy: -148.464 bonds (distance) P-C4' energy: -154.022 flat angles C4'-P-C4' energy: -177.236 flat angles P-C4'-P energy: -107.402 tors. eta vs tors. theta energy: -227.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2465.766970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2465.766970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2465.766970 (E_RNA) where: Base-Base interactions energy: -1695.815 where: short stacking energy: -726.992 Base-Backbone interact. energy: -2.981 local terms energy: -766.970689 where: bonds (distance) C4'-P energy: -142.506 bonds (distance) P-C4' energy: -164.335 flat angles C4'-P-C4' energy: -160.631 flat angles P-C4'-P energy: -106.618 tors. eta vs tors. theta energy: -192.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2379.907073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.907073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.907073 (E_RNA) where: Base-Base interactions energy: -1633.168 where: short stacking energy: -722.166 Base-Backbone interact. energy: 0.192 local terms energy: -746.930858 where: bonds (distance) C4'-P energy: -149.938 bonds (distance) P-C4' energy: -129.821 flat angles C4'-P-C4' energy: -172.115 flat angles P-C4'-P energy: -101.096 tors. eta vs tors. theta energy: -193.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2197.432260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2197.432260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2197.432260 (E_RNA) where: Base-Base interactions energy: -1502.667 where: short stacking energy: -626.430 Base-Backbone interact. energy: -0.521 local terms energy: -694.244531 where: bonds (distance) C4'-P energy: -126.619 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -145.117 flat angles P-C4'-P energy: -108.598 tors. eta vs tors. theta energy: -165.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1876.777151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.777151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.777151 (E_RNA) where: Base-Base interactions energy: -1221.384 where: short stacking energy: -551.208 Base-Backbone interact. energy: -0.654 local terms energy: -654.738452 where: bonds (distance) C4'-P energy: -128.517 bonds (distance) P-C4' energy: -135.131 flat angles C4'-P-C4' energy: -154.334 flat angles P-C4'-P energy: -100.404 tors. eta vs tors. theta energy: -136.352 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: 9 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1623.739077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.739077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.739077 (E_RNA) where: Base-Base interactions energy: -1059.145 where: short stacking energy: -461.429 Base-Backbone interact. energy: 1.361 local terms energy: -565.954724 where: bonds (distance) C4'-P energy: -123.596 bonds (distance) P-C4' energy: -154.738 flat angles C4'-P-C4' energy: -137.270 flat angles P-C4'-P energy: -88.595 tors. eta vs tors. theta energy: -61.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1110.402535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.402535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.402535 (E_RNA) where: Base-Base interactions energy: -626.137 where: short stacking energy: -318.607 Base-Backbone interact. energy: -1.767 local terms energy: -482.498906 where: bonds (distance) C4'-P energy: -133.777 bonds (distance) P-C4' energy: -132.735 flat angles C4'-P-C4' energy: -118.844 flat angles P-C4'-P energy: -68.083 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: 10 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3044.326868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.326868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.326868 (E_RNA) where: Base-Base interactions energy: -2139.703 where: short stacking energy: -875.334 Base-Backbone interact. energy: -3.137 local terms energy: -901.487487 where: bonds (distance) C4'-P energy: -160.539 bonds (distance) P-C4' energy: -180.762 flat angles C4'-P-C4' energy: -188.451 flat angles P-C4'-P energy: -118.668 tors. eta vs tors. theta energy: -253.068 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: 401 Temperature: 0.950000 Total energy: -2861.593807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.593807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.593807 (E_RNA) where: Base-Base interactions energy: -1974.266 where: short stacking energy: -876.060 Base-Backbone interact. energy: -0.739 local terms energy: -886.588402 where: bonds (distance) C4'-P energy: -156.581 bonds (distance) P-C4' energy: -169.932 flat angles C4'-P-C4' energy: -185.631 flat angles P-C4'-P energy: -122.949 tors. eta vs tors. theta energy: -251.495 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: 401 Temperature: 1.000000 Total energy: -2767.425994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.425994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.425994 (E_RNA) where: Base-Base interactions energy: -1941.204 where: short stacking energy: -851.775 Base-Backbone interact. energy: -1.886 local terms energy: -824.336498 where: bonds (distance) C4'-P energy: -155.705 bonds (distance) P-C4' energy: -138.597 flat angles C4'-P-C4' energy: -177.357 flat angles P-C4'-P energy: -117.023 tors. eta vs tors. theta energy: -235.655 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: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2700.447203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.447203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.447203 (E_RNA) where: Base-Base interactions energy: -1872.327 where: short stacking energy: -816.478 Base-Backbone interact. energy: -0.845 local terms energy: -827.275284 where: bonds (distance) C4'-P energy: -152.350 bonds (distance) P-C4' energy: -160.228 flat angles C4'-P-C4' energy: -168.905 flat angles P-C4'-P energy: -112.672 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: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2469.965815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.965815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.965815 (E_RNA) where: Base-Base interactions energy: -1697.352 where: short stacking energy: -707.036 Base-Backbone interact. energy: -0.206 local terms energy: -772.407906 where: bonds (distance) C4'-P energy: -143.784 bonds (distance) P-C4' energy: -155.187 flat angles C4'-P-C4' energy: -174.036 flat angles P-C4'-P energy: -113.700 tors. eta vs tors. theta energy: -185.701 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: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2383.423597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.423597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.423597 (E_RNA) where: Base-Base interactions energy: -1636.130 where: short stacking energy: -699.265 Base-Backbone interact. energy: -4.734 local terms energy: -742.560104 where: bonds (distance) C4'-P energy: -144.031 bonds (distance) P-C4' energy: -144.184 flat angles C4'-P-C4' energy: -163.200 flat angles P-C4'-P energy: -95.944 tors. eta vs tors. theta energy: -195.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2130.544528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.544528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.544528 (E_RNA) where: Base-Base interactions energy: -1475.594 where: short stacking energy: -637.086 Base-Backbone interact. energy: -3.864 local terms energy: -651.087141 where: bonds (distance) C4'-P energy: -112.526 bonds (distance) P-C4' energy: -144.334 flat angles C4'-P-C4' energy: -165.227 flat angles P-C4'-P energy: -72.271 tors. eta vs tors. theta energy: -156.730 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: 401 Temperature: 1.250000 Total energy: -1817.449528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.449528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.449528 (E_RNA) where: Base-Base interactions energy: -1184.082 where: short stacking energy: -503.594 Base-Backbone interact. energy: 2.051 local terms energy: -635.418717 where: bonds (distance) C4'-P energy: -135.143 bonds (distance) P-C4' energy: -141.609 flat angles C4'-P-C4' energy: -157.253 flat angles P-C4'-P energy: -90.868 tors. eta vs tors. theta energy: -110.545 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: 401 Temperature: 1.300000 Total energy: -1564.619173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.619173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.619173 (E_RNA) where: Base-Base interactions energy: -1028.514 where: short stacking energy: -461.657 Base-Backbone interact. energy: 4.026 local terms energy: -540.131985 where: bonds (distance) C4'-P energy: -123.956 bonds (distance) P-C4' energy: -130.387 flat angles C4'-P-C4' energy: -124.841 flat angles P-C4'-P energy: -78.450 tors. eta vs tors. theta energy: -82.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1040.903444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.903444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.903444 (E_RNA) where: Base-Base interactions energy: -611.580 where: short stacking energy: -325.624 Base-Backbone interact. energy: 1.951 local terms energy: -431.274324 where: bonds (distance) C4'-P energy: -112.345 bonds (distance) P-C4' energy: -104.124 flat angles C4'-P-C4' energy: -108.952 flat angles P-C4'-P energy: -79.451 tors. eta vs tors. theta energy: -26.403 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: 1, replica: 10 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3061.929725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.929725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.929725 (E_RNA) where: Base-Base interactions energy: -2159.187 where: short stacking energy: -866.804 Base-Backbone interact. energy: -1.145 local terms energy: -901.597419 where: bonds (distance) C4'-P energy: -172.951 bonds (distance) P-C4' energy: -163.482 flat angles C4'-P-C4' energy: -190.710 flat angles P-C4'-P energy: -132.568 tors. eta vs tors. theta energy: -241.886 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: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -2866.253604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.253604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.253604 (E_RNA) where: Base-Base interactions energy: -1989.778 where: short stacking energy: -900.713 Base-Backbone interact. energy: 1.297 local terms energy: -877.772307 where: bonds (distance) C4'-P energy: -142.054 bonds (distance) P-C4' energy: -160.981 flat angles C4'-P-C4' energy: -181.755 flat angles P-C4'-P energy: -133.722 tors. eta vs tors. theta energy: -259.260 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: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -2757.470712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.470712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.470712 (E_RNA) where: Base-Base interactions energy: -1927.516 where: short stacking energy: -848.536 Base-Backbone interact. energy: -2.524 local terms energy: -827.430757 where: bonds (distance) C4'-P energy: -147.337 bonds (distance) P-C4' energy: -150.705 flat angles C4'-P-C4' energy: -168.860 flat angles P-C4'-P energy: -122.778 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: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2643.851208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.851208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.851208 (E_RNA) where: Base-Base interactions energy: -1844.468 where: short stacking energy: -809.122 Base-Backbone interact. energy: -3.630 local terms energy: -795.753602 where: bonds (distance) C4'-P energy: -137.591 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -173.748 flat angles P-C4'-P energy: -120.728 tors. eta vs tors. theta energy: -217.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2452.358971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.358971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.358971 (E_RNA) where: Base-Base interactions energy: -1682.117 where: short stacking energy: -761.080 Base-Backbone interact. energy: -2.119 local terms energy: -768.122841 where: bonds (distance) C4'-P energy: -147.480 bonds (distance) P-C4' energy: -155.876 flat angles C4'-P-C4' energy: -168.818 flat angles P-C4'-P energy: -105.709 tors. eta vs tors. theta energy: -190.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2364.098355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.098355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.098355 (E_RNA) where: Base-Base interactions energy: -1628.423 where: short stacking energy: -716.949 Base-Backbone interact. energy: -1.864 local terms energy: -733.810770 where: bonds (distance) C4'-P energy: -145.538 bonds (distance) P-C4' energy: -156.006 flat angles C4'-P-C4' energy: -167.080 flat angles P-C4'-P energy: -87.917 tors. eta vs tors. theta energy: -177.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2151.603246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.603246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.603246 (E_RNA) where: Base-Base interactions energy: -1451.130 where: short stacking energy: -587.049 Base-Backbone interact. energy: -1.860 local terms energy: -698.613167 where: bonds (distance) C4'-P energy: -128.236 bonds (distance) P-C4' energy: -141.476 flat angles C4'-P-C4' energy: -160.330 flat angles P-C4'-P energy: -114.900 tors. eta vs tors. theta energy: -153.671 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: 8, replica: 8 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1786.066807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.066807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.066807 (E_RNA) where: Base-Base interactions energy: -1146.235 where: short stacking energy: -515.350 Base-Backbone interact. energy: -2.036 local terms energy: -637.796327 where: bonds (distance) C4'-P energy: -140.699 bonds (distance) P-C4' energy: -144.846 flat angles C4'-P-C4' energy: -132.768 flat angles P-C4'-P energy: -106.240 tors. eta vs tors. theta energy: -113.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1574.450477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.450477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.450477 (E_RNA) where: Base-Base interactions energy: -1012.848 where: short stacking energy: -441.419 Base-Backbone interact. energy: 0.043 local terms energy: -561.646218 where: bonds (distance) C4'-P energy: -126.105 bonds (distance) P-C4' energy: -146.048 flat angles C4'-P-C4' energy: -127.124 flat angles P-C4'-P energy: -81.620 tors. eta vs tors. theta energy: -80.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1009.851692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.851692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.851692 (E_RNA) where: Base-Base interactions energy: -575.246 where: short stacking energy: -311.324 Base-Backbone interact. energy: 7.367 local terms energy: -441.972555 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -123.020 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -66.588 tors. eta vs tors. theta energy: -2.037 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: 1, replica: 10 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3065.054135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.054135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.054135 (E_RNA) where: Base-Base interactions energy: -2159.030 where: short stacking energy: -874.949 Base-Backbone interact. energy: 1.438 local terms energy: -907.461546 where: bonds (distance) C4'-P energy: -170.177 bonds (distance) P-C4' energy: -179.291 flat angles C4'-P-C4' energy: -184.338 flat angles P-C4'-P energy: -127.037 tors. eta vs tors. theta energy: -246.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -2864.527250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.527250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.527250 (E_RNA) where: Base-Base interactions energy: -1975.310 where: short stacking energy: -870.722 Base-Backbone interact. energy: -1.642 local terms energy: -887.574998 where: bonds (distance) C4'-P energy: -163.312 bonds (distance) P-C4' energy: -185.508 flat angles C4'-P-C4' energy: -179.137 flat angles P-C4'-P energy: -111.859 tors. eta vs tors. theta energy: -247.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -2776.748032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.748032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.748032 (E_RNA) where: Base-Base interactions energy: -1969.018 where: short stacking energy: -860.553 Base-Backbone interact. energy: -2.018 local terms energy: -805.711822 where: bonds (distance) C4'-P energy: -153.161 bonds (distance) P-C4' energy: -148.783 flat angles C4'-P-C4' energy: -171.385 flat angles P-C4'-P energy: -95.227 tors. eta vs tors. theta energy: -237.156 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: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2658.666009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.666009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.666009 (E_RNA) where: Base-Base interactions energy: -1837.391 where: short stacking energy: -800.032 Base-Backbone interact. energy: -4.674 local terms energy: -816.601497 where: bonds (distance) C4'-P energy: -145.584 bonds (distance) P-C4' energy: -154.347 flat angles C4'-P-C4' energy: -173.051 flat angles P-C4'-P energy: -117.268 tors. eta vs tors. theta energy: -226.352 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2460.116150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.116150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.116150 (E_RNA) where: Base-Base interactions energy: -1691.274 where: short stacking energy: -737.293 Base-Backbone interact. energy: -2.724 local terms energy: -766.118587 where: bonds (distance) C4'-P energy: -137.989 bonds (distance) P-C4' energy: -150.219 flat angles C4'-P-C4' energy: -173.404 flat angles P-C4'-P energy: -113.410 tors. eta vs tors. theta energy: -191.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2296.574115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.574115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.574115 (E_RNA) where: Base-Base interactions energy: -1560.668 where: short stacking energy: -688.444 Base-Backbone interact. energy: 5.666 local terms energy: -741.571700 where: bonds (distance) C4'-P energy: -148.241 bonds (distance) P-C4' energy: -160.218 flat angles C4'-P-C4' energy: -149.641 flat angles P-C4'-P energy: -109.826 tors. eta vs tors. theta energy: -173.647 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: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2163.093477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.093477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.093477 (E_RNA) where: Base-Base interactions energy: -1481.058 where: short stacking energy: -610.154 Base-Backbone interact. energy: 3.168 local terms energy: -685.204157 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -159.275 flat angles C4'-P-C4' energy: -156.394 flat angles P-C4'-P energy: -97.870 tors. eta vs tors. theta energy: -138.874 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: 403 Temperature: 1.250000 Total energy: -1780.578812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.578812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.578812 (E_RNA) where: Base-Base interactions energy: -1149.998 where: short stacking energy: -511.497 Base-Backbone interact. energy: -0.074 local terms energy: -630.507023 where: bonds (distance) C4'-P energy: -137.039 bonds (distance) P-C4' energy: -147.063 flat angles C4'-P-C4' energy: -140.921 flat angles P-C4'-P energy: -90.014 tors. eta vs tors. theta energy: -115.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1507.855763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.855763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.855763 (E_RNA) where: Base-Base interactions energy: -958.110 where: short stacking energy: -416.443 Base-Backbone interact. energy: 3.172 local terms energy: -552.917427 where: bonds (distance) C4'-P energy: -141.230 bonds (distance) P-C4' energy: -122.286 flat angles C4'-P-C4' energy: -137.377 flat angles P-C4'-P energy: -90.076 tors. eta vs tors. theta energy: -61.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1024.755061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.755061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.755061 (E_RNA) where: Base-Base interactions energy: -577.070 where: short stacking energy: -285.587 Base-Backbone interact. energy: 6.561 local terms energy: -454.245801 where: bonds (distance) C4'-P energy: -131.808 bonds (distance) P-C4' energy: -136.898 flat angles C4'-P-C4' energy: -101.060 flat angles P-C4'-P energy: -86.029 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3070.741808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.741808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.741808 (E_RNA) where: Base-Base interactions energy: -2159.467 where: short stacking energy: -865.990 Base-Backbone interact. energy: -1.078 local terms energy: -910.196367 where: bonds (distance) C4'-P energy: -160.400 bonds (distance) P-C4' energy: -174.872 flat angles C4'-P-C4' energy: -197.514 flat angles P-C4'-P energy: -129.868 tors. eta vs tors. theta energy: -247.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -2868.585520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.585520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.585520 (E_RNA) where: Base-Base interactions energy: -1984.804 where: short stacking energy: -861.863 Base-Backbone interact. energy: -3.379 local terms energy: -880.402977 where: bonds (distance) C4'-P energy: -161.938 bonds (distance) P-C4' energy: -160.769 flat angles C4'-P-C4' energy: -176.685 flat angles P-C4'-P energy: -126.354 tors. eta vs tors. theta energy: -254.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -2801.784652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.784652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.784652 (E_RNA) where: Base-Base interactions energy: -1977.035 where: short stacking energy: -859.652 Base-Backbone interact. energy: -1.039 local terms energy: -823.710501 where: bonds (distance) C4'-P energy: -141.417 bonds (distance) P-C4' energy: -141.369 flat angles C4'-P-C4' energy: -179.263 flat angles P-C4'-P energy: -123.345 tors. eta vs tors. theta energy: -238.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2659.197842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.197842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.197842 (E_RNA) where: Base-Base interactions energy: -1837.269 where: short stacking energy: -810.220 Base-Backbone interact. energy: -1.843 local terms energy: -820.086570 where: bonds (distance) C4'-P energy: -142.682 bonds (distance) P-C4' energy: -155.572 flat angles C4'-P-C4' energy: -185.976 flat angles P-C4'-P energy: -117.029 tors. eta vs tors. theta energy: -218.827 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: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2522.835734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.835734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.835734 (E_RNA) where: Base-Base interactions energy: -1728.707 where: short stacking energy: -716.618 Base-Backbone interact. energy: -3.612 local terms energy: -790.516791 where: bonds (distance) C4'-P energy: -164.141 bonds (distance) P-C4' energy: -152.394 flat angles C4'-P-C4' energy: -175.554 flat angles P-C4'-P energy: -107.453 tors. eta vs tors. theta energy: -190.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2323.331167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.331167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.331167 (E_RNA) where: Base-Base interactions energy: -1591.967 where: short stacking energy: -721.567 Base-Backbone interact. energy: -1.685 local terms energy: -729.679064 where: bonds (distance) C4'-P energy: -149.335 bonds (distance) P-C4' energy: -131.787 flat angles C4'-P-C4' energy: -167.034 flat angles P-C4'-P energy: -97.358 tors. eta vs tors. theta energy: -184.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2124.561395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.561395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.561395 (E_RNA) where: Base-Base interactions energy: -1441.569 where: short stacking energy: -633.225 Base-Backbone interact. energy: -2.597 local terms energy: -680.395138 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -141.562 flat angles C4'-P-C4' energy: -155.873 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -144.149 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: 404 Temperature: 1.250000 Total energy: -1811.702725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.702725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.702725 (E_RNA) where: Base-Base interactions energy: -1187.470 where: short stacking energy: -543.440 Base-Backbone interact. energy: -1.294 local terms energy: -622.938252 where: bonds (distance) C4'-P energy: -133.646 bonds (distance) P-C4' energy: -135.414 flat angles C4'-P-C4' energy: -127.604 flat angles P-C4'-P energy: -102.249 tors. eta vs tors. theta energy: -124.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1497.469413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.469413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.469413 (E_RNA) where: Base-Base interactions energy: -954.538 where: short stacking energy: -418.695 Base-Backbone interact. energy: -3.069 local terms energy: -539.861871 where: bonds (distance) C4'-P energy: -112.834 bonds (distance) P-C4' energy: -129.795 flat angles C4'-P-C4' energy: -134.286 flat angles P-C4'-P energy: -97.027 tors. eta vs tors. theta energy: -65.919 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -968.553753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.553753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.553753 (E_RNA) where: Base-Base interactions energy: -538.178 where: short stacking energy: -252.722 Base-Backbone interact. energy: 2.234 local terms energy: -432.609737 where: bonds (distance) C4'-P energy: -137.048 bonds (distance) P-C4' energy: -139.686 flat angles C4'-P-C4' energy: -98.304 flat angles P-C4'-P energy: -64.216 tors. eta vs tors. theta energy: 6.646 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: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3081.037784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.037784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.037784 (E_RNA) where: Base-Base interactions energy: -2165.869 where: short stacking energy: -884.802 Base-Backbone interact. energy: -4.691 local terms energy: -910.478037 where: bonds (distance) C4'-P energy: -173.029 bonds (distance) P-C4' energy: -166.088 flat angles C4'-P-C4' energy: -187.799 flat angles P-C4'-P energy: -131.112 tors. eta vs tors. theta energy: -252.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -2900.515501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.515501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.515501 (E_RNA) where: Base-Base interactions energy: -1995.477 where: short stacking energy: -872.649 Base-Backbone interact. energy: -4.030 local terms energy: -901.008770 where: bonds (distance) C4'-P energy: -158.269 bonds (distance) P-C4' energy: -169.323 flat angles C4'-P-C4' energy: -191.353 flat angles P-C4'-P energy: -119.436 tors. eta vs tors. theta energy: -262.628 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: 405 Temperature: 1.000000 Total energy: -2808.709150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.709150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.709150 (E_RNA) where: Base-Base interactions energy: -1974.181 where: short stacking energy: -852.609 Base-Backbone interact. energy: -0.491 local terms energy: -834.037518 where: bonds (distance) C4'-P energy: -145.475 bonds (distance) P-C4' energy: -167.351 flat angles C4'-P-C4' energy: -177.586 flat angles P-C4'-P energy: -105.318 tors. eta vs tors. theta energy: -238.307 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: 4, replica: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2602.293724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.293724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.293724 (E_RNA) where: Base-Base interactions energy: -1791.189 where: short stacking energy: -774.645 Base-Backbone interact. energy: -4.466 local terms energy: -806.638631 where: bonds (distance) C4'-P energy: -152.781 bonds (distance) P-C4' energy: -154.351 flat angles C4'-P-C4' energy: -172.786 flat angles P-C4'-P energy: -120.737 tors. eta vs tors. theta energy: -205.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2474.006903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.006903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.006903 (E_RNA) where: Base-Base interactions energy: -1710.560 where: short stacking energy: -708.750 Base-Backbone interact. energy: -2.145 local terms energy: -761.301329 where: bonds (distance) C4'-P energy: -142.670 bonds (distance) P-C4' energy: -154.002 flat angles C4'-P-C4' energy: -152.886 flat angles P-C4'-P energy: -120.614 tors. eta vs tors. theta energy: -191.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2325.656587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.656587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.656587 (E_RNA) where: Base-Base interactions energy: -1586.717 where: short stacking energy: -705.205 Base-Backbone interact. energy: 2.885 local terms energy: -741.824482 where: bonds (distance) C4'-P energy: -134.808 bonds (distance) P-C4' energy: -146.490 flat angles C4'-P-C4' energy: -161.728 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: -195.283 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: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2160.718717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2160.718717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2160.718717 (E_RNA) where: Base-Base interactions energy: -1491.413 where: short stacking energy: -638.409 Base-Backbone interact. energy: -4.969 local terms energy: -664.336726 where: bonds (distance) C4'-P energy: -148.205 bonds (distance) P-C4' energy: -116.888 flat angles C4'-P-C4' energy: -154.386 flat angles P-C4'-P energy: -90.203 tors. eta vs tors. theta energy: -154.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1786.331129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.331129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.331129 (E_RNA) where: Base-Base interactions energy: -1166.578 where: short stacking energy: -516.345 Base-Backbone interact. energy: -2.242 local terms energy: -617.510486 where: bonds (distance) C4'-P energy: -146.925 bonds (distance) P-C4' energy: -142.826 flat angles C4'-P-C4' energy: -129.968 flat angles P-C4'-P energy: -96.081 tors. eta vs tors. theta energy: -101.711 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: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1454.668822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.668822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.668822 (E_RNA) where: Base-Base interactions energy: -933.717 where: short stacking energy: -427.664 Base-Backbone interact. energy: 1.859 local terms energy: -522.810750 where: bonds (distance) C4'-P energy: -97.012 bonds (distance) P-C4' energy: -152.870 flat angles C4'-P-C4' energy: -149.004 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: -64.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1008.585072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.585072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.585072 (E_RNA) where: Base-Base interactions energy: -542.647 where: short stacking energy: -271.555 Base-Backbone interact. energy: -4.930 local terms energy: -461.008114 where: bonds (distance) C4'-P energy: -120.356 bonds (distance) P-C4' energy: -137.379 flat angles C4'-P-C4' energy: -119.793 flat angles P-C4'-P energy: -79.318 tors. eta vs tors. theta energy: -4.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3084.604281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.604281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.604281 (E_RNA) where: Base-Base interactions energy: -2181.642 where: short stacking energy: -882.992 Base-Backbone interact. energy: -2.742 local terms energy: -900.220386 where: bonds (distance) C4'-P energy: -155.045 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -192.741 flat angles P-C4'-P energy: -124.500 tors. eta vs tors. theta energy: -254.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -2875.403088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.403088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.403088 (E_RNA) where: Base-Base interactions energy: -2001.492 where: short stacking energy: -868.002 Base-Backbone interact. energy: 7.877 local terms energy: -881.788089 where: bonds (distance) C4'-P energy: -142.708 bonds (distance) P-C4' energy: -173.529 flat angles C4'-P-C4' energy: -194.226 flat angles P-C4'-P energy: -118.477 tors. eta vs tors. theta energy: -252.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -2814.474791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.474791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.474791 (E_RNA) where: Base-Base interactions energy: -1952.284 where: short stacking energy: -848.795 Base-Backbone interact. energy: -2.473 local terms energy: -859.718254 where: bonds (distance) C4'-P energy: -153.601 bonds (distance) P-C4' energy: -179.239 flat angles C4'-P-C4' energy: -175.902 flat angles P-C4'-P energy: -107.011 tors. eta vs tors. theta energy: -243.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2647.691965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.691965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.691965 (E_RNA) where: Base-Base interactions energy: -1816.031 where: short stacking energy: -789.457 Base-Backbone interact. energy: -4.493 local terms energy: -827.167746 where: bonds (distance) C4'-P energy: -166.108 bonds (distance) P-C4' energy: -156.574 flat angles C4'-P-C4' energy: -177.403 flat angles P-C4'-P energy: -104.816 tors. eta vs tors. theta energy: -222.267 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: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2452.585780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.585780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.585780 (E_RNA) where: Base-Base interactions energy: -1689.099 where: short stacking energy: -737.018 Base-Backbone interact. energy: -4.135 local terms energy: -759.351085 where: bonds (distance) C4'-P energy: -158.458 bonds (distance) P-C4' energy: -150.772 flat angles C4'-P-C4' energy: -151.703 flat angles P-C4'-P energy: -115.149 tors. eta vs tors. theta energy: -183.270 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: 6, replica: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2368.050457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.050457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.050457 (E_RNA) where: Base-Base interactions energy: -1641.833 where: short stacking energy: -722.387 Base-Backbone interact. energy: 0.562 local terms energy: -726.779820 where: bonds (distance) C4'-P energy: -145.151 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -163.831 flat angles P-C4'-P energy: -94.881 tors. eta vs tors. theta energy: -184.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2129.246616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.246616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.246616 (E_RNA) where: Base-Base interactions energy: -1468.089 where: short stacking energy: -600.090 Base-Backbone interact. energy: 1.851 local terms energy: -663.008465 where: bonds (distance) C4'-P energy: -104.438 bonds (distance) P-C4' energy: -152.940 flat angles C4'-P-C4' energy: -170.783 flat angles P-C4'-P energy: -98.219 tors. eta vs tors. theta energy: -136.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1766.967691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.967691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.967691 (E_RNA) where: Base-Base interactions energy: -1170.547 where: short stacking energy: -504.908 Base-Backbone interact. energy: 2.838 local terms energy: -599.258902 where: bonds (distance) C4'-P energy: -127.868 bonds (distance) P-C4' energy: -147.552 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -82.237 tors. eta vs tors. theta energy: -91.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1526.492553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.492553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.492553 (E_RNA) where: Base-Base interactions energy: -974.025 where: short stacking energy: -426.359 Base-Backbone interact. energy: 0.014 local terms energy: -552.481421 where: bonds (distance) C4'-P energy: -133.973 bonds (distance) P-C4' energy: -143.574 flat angles C4'-P-C4' energy: -117.793 flat angles P-C4'-P energy: -92.499 tors. eta vs tors. theta energy: -64.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1059.105849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.105849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.105849 (E_RNA) where: Base-Base interactions energy: -638.516 where: short stacking energy: -302.129 Base-Backbone interact. energy: 8.195 local terms energy: -428.784998 where: bonds (distance) C4'-P energy: -121.804 bonds (distance) P-C4' energy: -128.490 flat angles C4'-P-C4' energy: -114.084 flat angles P-C4'-P energy: -40.762 tors. eta vs tors. theta energy: -23.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3065.155589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.155589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.155589 (E_RNA) where: Base-Base interactions energy: -2188.648 where: short stacking energy: -883.365 Base-Backbone interact. energy: -3.857 local terms energy: -872.651031 where: bonds (distance) C4'-P energy: -158.749 bonds (distance) P-C4' energy: -172.343 flat angles C4'-P-C4' energy: -169.924 flat angles P-C4'-P energy: -118.192 tors. eta vs tors. theta energy: -253.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -2892.922891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.922891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.922891 (E_RNA) where: Base-Base interactions energy: -2005.081 where: short stacking energy: -874.903 Base-Backbone interact. energy: -1.923 local terms energy: -885.919274 where: bonds (distance) C4'-P energy: -152.442 bonds (distance) P-C4' energy: -163.330 flat angles C4'-P-C4' energy: -182.613 flat angles P-C4'-P energy: -126.844 tors. eta vs tors. theta energy: -260.690 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: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -2784.170730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.170730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.170730 (E_RNA) where: Base-Base interactions energy: -1926.144 where: short stacking energy: -825.788 Base-Backbone interact. energy: -1.605 local terms energy: -856.422012 where: bonds (distance) C4'-P energy: -147.618 bonds (distance) P-C4' energy: -158.946 flat angles C4'-P-C4' energy: -176.791 flat angles P-C4'-P energy: -132.812 tors. eta vs tors. theta energy: -240.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2630.455673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.455673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.455673 (E_RNA) where: Base-Base interactions energy: -1791.133 where: short stacking energy: -769.273 Base-Backbone interact. energy: -3.602 local terms energy: -835.720101 where: bonds (distance) C4'-P energy: -147.193 bonds (distance) P-C4' energy: -166.866 flat angles C4'-P-C4' energy: -182.920 flat angles P-C4'-P energy: -111.843 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: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2442.052756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.052756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.052756 (E_RNA) where: Base-Base interactions energy: -1690.278 where: short stacking energy: -734.934 Base-Backbone interact. energy: -2.110 local terms energy: -749.665346 where: bonds (distance) C4'-P energy: -128.471 bonds (distance) P-C4' energy: -146.544 flat angles C4'-P-C4' energy: -171.973 flat angles P-C4'-P energy: -108.029 tors. eta vs tors. theta energy: -194.649 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: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2341.453402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.453402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.453402 (E_RNA) where: Base-Base interactions energy: -1587.969 where: short stacking energy: -697.951 Base-Backbone interact. energy: -1.272 local terms energy: -752.212755 where: bonds (distance) C4'-P energy: -148.743 bonds (distance) P-C4' energy: -138.571 flat angles C4'-P-C4' energy: -162.097 flat angles P-C4'-P energy: -115.172 tors. eta vs tors. theta energy: -187.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2104.651993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.651993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.651993 (E_RNA) where: Base-Base interactions energy: -1469.900 where: short stacking energy: -613.890 Base-Backbone interact. energy: 0.970 local terms energy: -635.722362 where: bonds (distance) C4'-P energy: -132.658 bonds (distance) P-C4' energy: -130.529 flat angles C4'-P-C4' energy: -138.429 flat angles P-C4'-P energy: -91.247 tors. eta vs tors. theta energy: -142.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1823.716964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.716964 (E_RNA) where: Base-Base interactions energy: -1195.007 where: short stacking energy: -511.252 Base-Backbone interact. energy: 1.934 local terms energy: -630.644590 where: bonds (distance) C4'-P energy: -135.796 bonds (distance) P-C4' energy: -131.359 flat angles C4'-P-C4' energy: -147.127 flat angles P-C4'-P energy: -101.052 tors. eta vs tors. theta energy: -115.311 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: 9 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1420.942281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.942281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.942281 (E_RNA) where: Base-Base interactions energy: -871.115 where: short stacking energy: -361.992 Base-Backbone interact. energy: -1.040 local terms energy: -548.786896 where: bonds (distance) C4'-P energy: -122.047 bonds (distance) P-C4' energy: -143.827 flat angles C4'-P-C4' energy: -132.103 flat angles P-C4'-P energy: -88.795 tors. eta vs tors. theta energy: -62.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -988.258391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.258391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.258391 (E_RNA) where: Base-Base interactions energy: -549.607 where: short stacking energy: -293.277 Base-Backbone interact. energy: 5.098 local terms energy: -443.749659 where: bonds (distance) C4'-P energy: -140.971 bonds (distance) P-C4' energy: -126.887 flat angles C4'-P-C4' energy: -115.760 flat angles P-C4'-P energy: -50.760 tors. eta vs tors. theta energy: -9.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3055.512007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.512007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.512007 (E_RNA) where: Base-Base interactions energy: -2152.029 where: short stacking energy: -882.069 Base-Backbone interact. energy: 0.277 local terms energy: -903.760014 where: bonds (distance) C4'-P energy: -179.212 bonds (distance) P-C4' energy: -167.961 flat angles C4'-P-C4' energy: -190.551 flat angles P-C4'-P energy: -123.434 tors. eta vs tors. theta energy: -242.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -2891.547852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.547852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.547852 (E_RNA) where: Base-Base interactions energy: -2018.375 where: short stacking energy: -880.327 Base-Backbone interact. energy: 2.315 local terms energy: -875.487645 where: bonds (distance) C4'-P energy: -163.069 bonds (distance) P-C4' energy: -162.948 flat angles C4'-P-C4' energy: -184.209 flat angles P-C4'-P energy: -118.860 tors. eta vs tors. theta energy: -246.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -2808.335721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.335721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.335721 (E_RNA) where: Base-Base interactions energy: -1944.377 where: short stacking energy: -861.243 Base-Backbone interact. energy: -1.785 local terms energy: -862.173992 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -158.229 flat angles C4'-P-C4' energy: -193.660 flat angles P-C4'-P energy: -112.208 tors. eta vs tors. theta energy: -247.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2685.881895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.881895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.881895 (E_RNA) where: Base-Base interactions energy: -1849.545 where: short stacking energy: -798.078 Base-Backbone interact. energy: -2.583 local terms energy: -833.753881 where: bonds (distance) C4'-P energy: -152.034 bonds (distance) P-C4' energy: -143.210 flat angles C4'-P-C4' energy: -178.739 flat angles P-C4'-P energy: -121.810 tors. eta vs tors. theta energy: -237.961 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: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2513.971732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.971732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.971732 (E_RNA) where: Base-Base interactions energy: -1760.951 where: short stacking energy: -746.479 Base-Backbone interact. energy: 0.411 local terms energy: -753.431259 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -152.151 flat angles C4'-P-C4' energy: -164.864 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -196.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2310.286864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.286864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.286864 (E_RNA) where: Base-Base interactions energy: -1570.484 where: short stacking energy: -680.181 Base-Backbone interact. energy: -0.336 local terms energy: -739.467174 where: bonds (distance) C4'-P energy: -119.753 bonds (distance) P-C4' energy: -154.207 flat angles C4'-P-C4' energy: -162.459 flat angles P-C4'-P energy: -115.686 tors. eta vs tors. theta energy: -187.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2104.594648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.594648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.594648 (E_RNA) where: Base-Base interactions energy: -1420.820 where: short stacking energy: -603.273 Base-Backbone interact. energy: -0.390 local terms energy: -683.384248 where: bonds (distance) C4'-P energy: -136.859 bonds (distance) P-C4' energy: -143.951 flat angles C4'-P-C4' energy: -162.962 flat angles P-C4'-P energy: -106.895 tors. eta vs tors. theta energy: -132.718 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: 408 Temperature: 1.250000 Total energy: -1814.898139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.898139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.898139 (E_RNA) where: Base-Base interactions energy: -1207.904 where: short stacking energy: -517.895 Base-Backbone interact. energy: -1.238 local terms energy: -605.756319 where: bonds (distance) C4'-P energy: -129.061 bonds (distance) P-C4' energy: -156.585 flat angles C4'-P-C4' energy: -144.350 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -104.686 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: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1412.213600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.213600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.213600 (E_RNA) where: Base-Base interactions energy: -873.042 where: short stacking energy: -395.335 Base-Backbone interact. energy: -1.436 local terms energy: -537.735107 where: bonds (distance) C4'-P energy: -132.794 bonds (distance) P-C4' energy: -152.810 flat angles C4'-P-C4' energy: -108.157 flat angles P-C4'-P energy: -79.777 tors. eta vs tors. theta energy: -64.198 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: 4 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -991.768854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.768854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.768854 (E_RNA) where: Base-Base interactions energy: -550.710 where: short stacking energy: -302.225 Base-Backbone interact. energy: -1.465 local terms energy: -439.593698 where: bonds (distance) C4'-P energy: -122.616 bonds (distance) P-C4' energy: -134.351 flat angles C4'-P-C4' energy: -95.955 flat angles P-C4'-P energy: -74.136 tors. eta vs tors. theta energy: -12.535 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: 1, replica: 10 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3065.883875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.883875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.883875 (E_RNA) where: Base-Base interactions energy: -2179.758 where: short stacking energy: -853.724 Base-Backbone interact. energy: 0.428 local terms energy: -886.554149 where: bonds (distance) C4'-P energy: -150.017 bonds (distance) P-C4' energy: -163.744 flat angles C4'-P-C4' energy: -200.359 flat angles P-C4'-P energy: -120.785 tors. eta vs tors. theta energy: -251.648 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: 409 Temperature: 0.950000 Total energy: -2912.677364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.677364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.677364 (E_RNA) where: Base-Base interactions energy: -2019.346 where: short stacking energy: -884.151 Base-Backbone interact. energy: 2.966 local terms energy: -896.297091 where: bonds (distance) C4'-P energy: -151.525 bonds (distance) P-C4' energy: -176.713 flat angles C4'-P-C4' energy: -193.743 flat angles P-C4'-P energy: -122.582 tors. eta vs tors. theta energy: -251.734 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: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -2804.499275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.499275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.499275 (E_RNA) where: Base-Base interactions energy: -1942.931 where: short stacking energy: -849.787 Base-Backbone interact. energy: -1.452 local terms energy: -860.115808 where: bonds (distance) C4'-P energy: -161.158 bonds (distance) P-C4' energy: -143.377 flat angles C4'-P-C4' energy: -189.655 flat angles P-C4'-P energy: -117.729 tors. eta vs tors. theta energy: -248.197 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: 5 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2651.946140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.946140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.946140 (E_RNA) where: Base-Base interactions energy: -1816.207 where: short stacking energy: -813.399 Base-Backbone interact. energy: 2.436 local terms energy: -838.175053 where: bonds (distance) C4'-P energy: -141.107 bonds (distance) P-C4' energy: -173.548 flat angles C4'-P-C4' energy: -175.481 flat angles P-C4'-P energy: -116.067 tors. eta vs tors. theta energy: -231.972 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: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2543.429990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.429990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.429990 (E_RNA) where: Base-Base interactions energy: -1752.954 where: short stacking energy: -763.265 Base-Backbone interact. energy: -0.624 local terms energy: -789.852284 where: bonds (distance) C4'-P energy: -150.027 bonds (distance) P-C4' energy: -154.622 flat angles C4'-P-C4' energy: -172.261 flat angles P-C4'-P energy: -108.860 tors. eta vs tors. theta energy: -204.083 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: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2340.603549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.603549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.603549 (E_RNA) where: Base-Base interactions energy: -1595.805 where: short stacking energy: -730.412 Base-Backbone interact. energy: 2.114 local terms energy: -746.912000 where: bonds (distance) C4'-P energy: -126.962 bonds (distance) P-C4' energy: -147.905 flat angles C4'-P-C4' energy: -159.572 flat angles P-C4'-P energy: -114.535 tors. eta vs tors. theta energy: -197.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2059.763854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.763854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.763854 (E_RNA) where: Base-Base interactions energy: -1401.010 where: short stacking energy: -591.117 Base-Backbone interact. energy: -1.504 local terms energy: -657.250504 where: bonds (distance) C4'-P energy: -112.036 bonds (distance) P-C4' energy: -148.024 flat angles C4'-P-C4' energy: -171.416 flat angles P-C4'-P energy: -92.176 tors. eta vs tors. theta energy: -133.599 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: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1772.487705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.487705 (E_RNA) where: Base-Base interactions energy: -1138.416 where: short stacking energy: -492.235 Base-Backbone interact. energy: -3.343 local terms energy: -630.728592 where: bonds (distance) C4'-P energy: -151.598 bonds (distance) P-C4' energy: -143.740 flat angles C4'-P-C4' energy: -129.803 flat angles P-C4'-P energy: -93.017 tors. eta vs tors. theta energy: -112.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1464.715524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.715524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.715524 (E_RNA) where: Base-Base interactions energy: -943.323 where: short stacking energy: -421.481 Base-Backbone interact. energy: -0.145 local terms energy: -521.247977 where: bonds (distance) C4'-P energy: -132.046 bonds (distance) P-C4' energy: -137.337 flat angles C4'-P-C4' energy: -136.978 flat angles P-C4'-P energy: -61.478 tors. eta vs tors. theta energy: -53.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1015.874829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.874829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.874829 (E_RNA) where: Base-Base interactions energy: -513.536 where: short stacking energy: -299.022 Base-Backbone interact. energy: -0.965 local terms energy: -501.374045 where: bonds (distance) C4'-P energy: -150.776 bonds (distance) P-C4' energy: -157.392 flat angles C4'-P-C4' energy: -111.573 flat angles P-C4'-P energy: -77.681 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3088.524476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.524476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.524476 (E_RNA) where: Base-Base interactions energy: -2167.678 where: short stacking energy: -881.758 Base-Backbone interact. energy: -3.716 local terms energy: -917.130766 where: bonds (distance) C4'-P energy: -174.289 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -197.662 flat angles P-C4'-P energy: -130.637 tors. eta vs tors. theta energy: -255.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -2913.206422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.206422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.206422 (E_RNA) where: Base-Base interactions energy: -2026.403 where: short stacking energy: -899.947 Base-Backbone interact. energy: 4.373 local terms energy: -891.175971 where: bonds (distance) C4'-P energy: -163.109 bonds (distance) P-C4' energy: -161.448 flat angles C4'-P-C4' energy: -185.376 flat angles P-C4'-P energy: -129.786 tors. eta vs tors. theta energy: -251.458 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: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -2829.100417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.100417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.100417 (E_RNA) where: Base-Base interactions energy: -1955.082 where: short stacking energy: -858.858 Base-Backbone interact. energy: -4.207 local terms energy: -869.810781 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -159.906 flat angles C4'-P-C4' energy: -185.182 flat angles P-C4'-P energy: -117.801 tors. eta vs tors. theta energy: -251.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2660.256047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.256047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.256047 (E_RNA) where: Base-Base interactions energy: -1841.541 where: short stacking energy: -809.840 Base-Backbone interact. energy: 0.085 local terms energy: -818.799723 where: bonds (distance) C4'-P energy: -142.875 bonds (distance) P-C4' energy: -148.758 flat angles C4'-P-C4' energy: -189.626 flat angles P-C4'-P energy: -110.035 tors. eta vs tors. theta energy: -227.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2540.344549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.344549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.344549 (E_RNA) where: Base-Base interactions energy: -1766.773 where: short stacking energy: -730.081 Base-Backbone interact. energy: -0.552 local terms energy: -773.019722 where: bonds (distance) C4'-P energy: -118.503 bonds (distance) P-C4' energy: -148.234 flat angles C4'-P-C4' energy: -187.869 flat angles P-C4'-P energy: -116.748 tors. eta vs tors. theta energy: -201.666 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: 3 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2361.180461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.180461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.180461 (E_RNA) where: Base-Base interactions energy: -1610.913 where: short stacking energy: -720.288 Base-Backbone interact. energy: -0.452 local terms energy: -749.815954 where: bonds (distance) C4'-P energy: -149.187 bonds (distance) P-C4' energy: -155.586 flat angles C4'-P-C4' energy: -153.474 flat angles P-C4'-P energy: -100.531 tors. eta vs tors. theta energy: -191.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2088.201109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.201109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.201109 (E_RNA) where: Base-Base interactions energy: -1411.768 where: short stacking energy: -594.645 Base-Backbone interact. energy: -2.097 local terms energy: -674.335333 where: bonds (distance) C4'-P energy: -151.157 bonds (distance) P-C4' energy: -146.319 flat angles C4'-P-C4' energy: -133.529 flat angles P-C4'-P energy: -109.945 tors. eta vs tors. theta energy: -133.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1723.662040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.662040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.662040 (E_RNA) where: Base-Base interactions energy: -1069.262 where: short stacking energy: -502.618 Base-Backbone interact. energy: -2.060 local terms energy: -652.339760 where: bonds (distance) C4'-P energy: -126.566 bonds (distance) P-C4' energy: -153.524 flat angles C4'-P-C4' energy: -152.247 flat angles P-C4'-P energy: -114.639 tors. eta vs tors. theta energy: -105.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1532.896998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.896998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.896998 (E_RNA) where: Base-Base interactions energy: -996.856 where: short stacking energy: -433.915 Base-Backbone interact. energy: -2.028 local terms energy: -534.013585 where: bonds (distance) C4'-P energy: -118.438 bonds (distance) P-C4' energy: -124.257 flat angles C4'-P-C4' energy: -144.482 flat angles P-C4'-P energy: -72.757 tors. eta vs tors. theta energy: -74.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -992.041300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.041300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.041300 (E_RNA) where: Base-Base interactions energy: -550.437 where: short stacking energy: -307.109 Base-Backbone interact. energy: 7.018 local terms energy: -448.621952 where: bonds (distance) C4'-P energy: -123.477 bonds (distance) P-C4' energy: -135.887 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -61.800 tors. eta vs tors. theta energy: -21.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3071.719424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.719424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.719424 (E_RNA) where: Base-Base interactions energy: -2158.881 where: short stacking energy: -896.128 Base-Backbone interact. energy: -0.947 local terms energy: -911.890933 where: bonds (distance) C4'-P energy: -153.976 bonds (distance) P-C4' energy: -164.158 flat angles C4'-P-C4' energy: -204.715 flat angles P-C4'-P energy: -130.089 tors. eta vs tors. theta energy: -258.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -2906.020033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.020033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.020033 (E_RNA) where: Base-Base interactions energy: -2023.519 where: short stacking energy: -858.259 Base-Backbone interact. energy: 0.406 local terms energy: -882.907256 where: bonds (distance) C4'-P energy: -146.306 bonds (distance) P-C4' energy: -166.559 flat angles C4'-P-C4' energy: -185.797 flat angles P-C4'-P energy: -127.959 tors. eta vs tors. theta energy: -256.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -2864.408096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.408096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.408096 (E_RNA) where: Base-Base interactions energy: -1984.180 where: short stacking energy: -897.111 Base-Backbone interact. energy: -0.902 local terms energy: -879.326457 where: bonds (distance) C4'-P energy: -155.095 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -190.390 flat angles P-C4'-P energy: -114.465 tors. eta vs tors. theta energy: -266.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -2674.720661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.720661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.720661 (E_RNA) where: Base-Base interactions energy: -1842.033 where: short stacking energy: -799.472 Base-Backbone interact. energy: -2.687 local terms energy: -829.999903 where: bonds (distance) C4'-P energy: -161.218 bonds (distance) P-C4' energy: -150.032 flat angles C4'-P-C4' energy: -174.577 flat angles P-C4'-P energy: -128.649 tors. eta vs tors. theta energy: -215.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2497.637229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.637229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.637229 (E_RNA) where: Base-Base interactions energy: -1755.683 where: short stacking energy: -734.897 Base-Backbone interact. energy: -5.374 local terms energy: -736.579561 where: bonds (distance) C4'-P energy: -122.963 bonds (distance) P-C4' energy: -153.104 flat angles C4'-P-C4' energy: -172.108 flat angles P-C4'-P energy: -103.524 tors. eta vs tors. theta energy: -184.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2315.630256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.630256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.630256 (E_RNA) where: Base-Base interactions energy: -1553.071 where: short stacking energy: -688.392 Base-Backbone interact. energy: 2.454 local terms energy: -765.013096 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -157.424 flat angles C4'-P-C4' energy: -178.240 flat angles P-C4'-P energy: -108.820 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: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2090.344582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.344582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.344582 (E_RNA) where: Base-Base interactions energy: -1438.122 where: short stacking energy: -602.821 Base-Backbone interact. energy: 0.353 local terms energy: -652.575192 where: bonds (distance) C4'-P energy: -139.660 bonds (distance) P-C4' energy: -143.982 flat angles C4'-P-C4' energy: -151.443 flat angles P-C4'-P energy: -90.166 tors. eta vs tors. theta energy: -127.323 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: 411 Temperature: 1.250000 Total energy: -1661.930313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.930313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.930313 (E_RNA) where: Base-Base interactions energy: -1087.588 where: short stacking energy: -514.457 Base-Backbone interact. energy: 4.063 local terms energy: -578.404407 where: bonds (distance) C4'-P energy: -128.059 bonds (distance) P-C4' energy: -136.889 flat angles C4'-P-C4' energy: -132.711 flat angles P-C4'-P energy: -76.149 tors. eta vs tors. theta energy: -104.596 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: 9, replica: 9 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1556.022611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.022611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.022611 (E_RNA) where: Base-Base interactions energy: -1001.945 where: short stacking energy: -458.773 Base-Backbone interact. energy: 1.917 local terms energy: -555.994962 where: bonds (distance) C4'-P energy: -101.841 bonds (distance) P-C4' energy: -135.987 flat angles C4'-P-C4' energy: -152.673 flat angles P-C4'-P energy: -80.398 tors. eta vs tors. theta energy: -85.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1010.037878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.037878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.037878 (E_RNA) where: Base-Base interactions energy: -581.531 where: short stacking energy: -282.653 Base-Backbone interact. energy: 3.390 local terms energy: -431.896864 where: bonds (distance) C4'-P energy: -122.391 bonds (distance) P-C4' energy: -149.096 flat angles C4'-P-C4' energy: -90.359 flat angles P-C4'-P energy: -71.424 tors. eta vs tors. theta energy: 1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3079.954343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.954343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.954343 (E_RNA) where: Base-Base interactions energy: -2178.944 where: short stacking energy: -882.987 Base-Backbone interact. energy: -1.513 local terms energy: -899.496645 where: bonds (distance) C4'-P energy: -175.325 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -184.682 flat angles P-C4'-P energy: -128.310 tors. eta vs tors. theta energy: -248.721 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: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -2905.151228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.151228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.151228 (E_RNA) where: Base-Base interactions energy: -2023.676 where: short stacking energy: -886.807 Base-Backbone interact. energy: 3.951 local terms energy: -885.426714 where: bonds (distance) C4'-P energy: -161.394 bonds (distance) P-C4' energy: -177.081 flat angles C4'-P-C4' energy: -186.197 flat angles P-C4'-P energy: -114.523 tors. eta vs tors. theta energy: -246.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -2813.468799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.468799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.468799 (E_RNA) where: Base-Base interactions energy: -1963.946 where: short stacking energy: -847.579 Base-Backbone interact. energy: 0.293 local terms energy: -849.815933 where: bonds (distance) C4'-P energy: -141.861 bonds (distance) P-C4' energy: -165.300 flat angles C4'-P-C4' energy: -184.401 flat angles P-C4'-P energy: -124.513 tors. eta vs tors. theta energy: -233.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2663.685819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.685819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.685819 (E_RNA) where: Base-Base interactions energy: -1843.291 where: short stacking energy: -814.565 Base-Backbone interact. energy: -2.469 local terms energy: -817.925220 where: bonds (distance) C4'-P energy: -151.478 bonds (distance) P-C4' energy: -155.444 flat angles C4'-P-C4' energy: -175.633 flat angles P-C4'-P energy: -108.355 tors. eta vs tors. theta energy: -227.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2534.518229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.518229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.518229 (E_RNA) where: Base-Base interactions energy: -1750.410 where: short stacking energy: -748.133 Base-Backbone interact. energy: -4.242 local terms energy: -779.866408 where: bonds (distance) C4'-P energy: -140.951 bonds (distance) P-C4' energy: -141.381 flat angles C4'-P-C4' energy: -176.108 flat angles P-C4'-P energy: -111.846 tors. eta vs tors. theta energy: -209.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2307.003194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.003194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.003194 (E_RNA) where: Base-Base interactions energy: -1574.236 where: short stacking energy: -702.711 Base-Backbone interact. energy: -0.327 local terms energy: -732.440074 where: bonds (distance) C4'-P energy: -154.806 bonds (distance) P-C4' energy: -137.792 flat angles C4'-P-C4' energy: -150.808 flat angles P-C4'-P energy: -90.961 tors. eta vs tors. theta energy: -198.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2091.942237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.942237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.942237 (E_RNA) where: Base-Base interactions energy: -1435.584 where: short stacking energy: -621.586 Base-Backbone interact. energy: 0.468 local terms energy: -656.826644 where: bonds (distance) C4'-P energy: -134.760 bonds (distance) P-C4' energy: -135.828 flat angles C4'-P-C4' energy: -148.723 flat angles P-C4'-P energy: -99.000 tors. eta vs tors. theta energy: -138.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1687.674137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.674137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.674137 (E_RNA) where: Base-Base interactions energy: -1092.681 where: short stacking energy: -487.528 Base-Backbone interact. energy: 0.558 local terms energy: -595.551164 where: bonds (distance) C4'-P energy: -149.063 bonds (distance) P-C4' energy: -117.025 flat angles C4'-P-C4' energy: -148.474 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -103.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1534.273602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.273602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.273602 (E_RNA) where: Base-Base interactions energy: -987.339 where: short stacking energy: -432.305 Base-Backbone interact. energy: -6.572 local terms energy: -540.362685 where: bonds (distance) C4'-P energy: -114.790 bonds (distance) P-C4' energy: -142.125 flat angles C4'-P-C4' energy: -132.140 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -71.460 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: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1009.810534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.810534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.810534 (E_RNA) where: Base-Base interactions energy: -553.454 where: short stacking energy: -300.452 Base-Backbone interact. energy: -1.262 local terms energy: -455.094957 where: bonds (distance) C4'-P energy: -127.878 bonds (distance) P-C4' energy: -122.091 flat angles C4'-P-C4' energy: -124.512 flat angles P-C4'-P energy: -68.742 tors. eta vs tors. theta energy: -11.872 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: 10 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3081.385899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.385899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.385899 (E_RNA) where: Base-Base interactions energy: -2179.149 where: short stacking energy: -883.737 Base-Backbone interact. energy: -1.270 local terms energy: -900.966919 where: bonds (distance) C4'-P energy: -174.200 bonds (distance) P-C4' energy: -157.750 flat angles C4'-P-C4' energy: -187.993 flat angles P-C4'-P energy: -128.322 tors. eta vs tors. theta energy: -252.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -2900.420064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.420064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.420064 (E_RNA) where: Base-Base interactions energy: -2034.856 where: short stacking energy: -883.050 Base-Backbone interact. energy: -0.911 local terms energy: -864.653498 where: bonds (distance) C4'-P energy: -152.254 bonds (distance) P-C4' energy: -145.497 flat angles C4'-P-C4' energy: -190.983 flat angles P-C4'-P energy: -128.242 tors. eta vs tors. theta energy: -247.678 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: 1 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -2813.216007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.216007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.216007 (E_RNA) where: Base-Base interactions energy: -1959.021 where: short stacking energy: -831.959 Base-Backbone interact. energy: 6.037 local terms energy: -860.231208 where: bonds (distance) C4'-P energy: -161.268 bonds (distance) P-C4' energy: -168.428 flat angles C4'-P-C4' energy: -176.409 flat angles P-C4'-P energy: -120.935 tors. eta vs tors. theta energy: -233.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2657.033089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.033089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.033089 (E_RNA) where: Base-Base interactions energy: -1848.281 where: short stacking energy: -817.494 Base-Backbone interact. energy: -5.516 local terms energy: -803.236549 where: bonds (distance) C4'-P energy: -144.841 bonds (distance) P-C4' energy: -143.828 flat angles C4'-P-C4' energy: -178.991 flat angles P-C4'-P energy: -112.168 tors. eta vs tors. theta energy: -223.409 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: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2488.008547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.008547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.008547 (E_RNA) where: Base-Base interactions energy: -1737.375 where: short stacking energy: -726.427 Base-Backbone interact. energy: -2.046 local terms energy: -748.587376 where: bonds (distance) C4'-P energy: -138.417 bonds (distance) P-C4' energy: -148.417 flat angles C4'-P-C4' energy: -176.545 flat angles P-C4'-P energy: -99.684 tors. eta vs tors. theta energy: -185.524 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: 3 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2277.967462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.967462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.967462 (E_RNA) where: Base-Base interactions energy: -1574.530 where: short stacking energy: -687.031 Base-Backbone interact. energy: -0.959 local terms energy: -702.479132 where: bonds (distance) C4'-P energy: -116.654 bonds (distance) P-C4' energy: -155.592 flat angles C4'-P-C4' energy: -151.729 flat angles P-C4'-P energy: -103.458 tors. eta vs tors. theta energy: -175.046 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: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2066.489724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.489724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.489724 (E_RNA) where: Base-Base interactions energy: -1395.480 where: short stacking energy: -602.166 Base-Backbone interact. energy: 2.220 local terms energy: -673.230169 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -153.356 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -106.895 tors. eta vs tors. theta energy: -136.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -1713.464177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.464177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.464177 (E_RNA) where: Base-Base interactions energy: -1094.503 where: short stacking energy: -504.225 Base-Backbone interact. energy: -2.530 local terms energy: -616.431215 where: bonds (distance) C4'-P energy: -132.766 bonds (distance) P-C4' energy: -139.974 flat angles C4'-P-C4' energy: -150.543 flat angles P-C4'-P energy: -80.860 tors. eta vs tors. theta energy: -112.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1471.780481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.780481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.780481 (E_RNA) where: Base-Base interactions energy: -950.113 where: short stacking energy: -431.501 Base-Backbone interact. energy: -5.577 local terms energy: -516.089717 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -126.847 flat angles C4'-P-C4' energy: -125.590 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -66.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1004.869199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.869199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.869199 (E_RNA) where: Base-Base interactions energy: -535.466 where: short stacking energy: -295.928 Base-Backbone interact. energy: 5.222 local terms energy: -474.625581 where: bonds (distance) C4'-P energy: -102.124 bonds (distance) P-C4' energy: -141.352 flat angles C4'-P-C4' energy: -135.054 flat angles P-C4'-P energy: -65.601 tors. eta vs tors. theta energy: -30.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3072.291566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.291566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.291566 (E_RNA) where: Base-Base interactions energy: -2181.274 where: short stacking energy: -877.698 Base-Backbone interact. energy: 0.975 local terms energy: -891.992969 where: bonds (distance) C4'-P energy: -157.791 bonds (distance) P-C4' energy: -161.165 flat angles C4'-P-C4' energy: -189.920 flat angles P-C4'-P energy: -134.297 tors. eta vs tors. theta energy: -248.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -2925.178458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.178458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.178458 (E_RNA) where: Base-Base interactions energy: -2024.733 where: short stacking energy: -877.308 Base-Backbone interact. energy: -1.769 local terms energy: -898.676438 where: bonds (distance) C4'-P energy: -153.610 bonds (distance) P-C4' energy: -168.908 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -141.517 tors. eta vs tors. theta energy: -258.938 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: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -2773.226842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.226842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.226842 (E_RNA) where: Base-Base interactions energy: -1921.001 where: short stacking energy: -833.508 Base-Backbone interact. energy: -3.813 local terms energy: -848.412396 where: bonds (distance) C4'-P energy: -155.514 bonds (distance) P-C4' energy: -150.114 flat angles C4'-P-C4' energy: -175.626 flat angles P-C4'-P energy: -122.719 tors. eta vs tors. theta energy: -244.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2603.178919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.178919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.178919 (E_RNA) where: Base-Base interactions energy: -1807.878 where: short stacking energy: -789.230 Base-Backbone interact. energy: -2.701 local terms energy: -792.599530 where: bonds (distance) C4'-P energy: -144.199 bonds (distance) P-C4' energy: -149.182 flat angles C4'-P-C4' energy: -186.619 flat angles P-C4'-P energy: -109.430 tors. eta vs tors. theta energy: -203.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2484.007245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.007245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.007245 (E_RNA) where: Base-Base interactions energy: -1710.502 where: short stacking energy: -720.129 Base-Backbone interact. energy: -3.513 local terms energy: -769.992668 where: bonds (distance) C4'-P energy: -154.905 bonds (distance) P-C4' energy: -134.233 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -205.625 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2318.048093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.048093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.048093 (E_RNA) where: Base-Base interactions energy: -1585.884 where: short stacking energy: -721.337 Base-Backbone interact. energy: -0.037 local terms energy: -732.127394 where: bonds (distance) C4'-P energy: -144.957 bonds (distance) P-C4' energy: -150.426 flat angles C4'-P-C4' energy: -153.592 flat angles P-C4'-P energy: -95.812 tors. eta vs tors. theta energy: -187.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2079.649206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.649206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.649206 (E_RNA) where: Base-Base interactions energy: -1408.648 where: short stacking energy: -598.592 Base-Backbone interact. energy: 0.664 local terms energy: -671.665672 where: bonds (distance) C4'-P energy: -138.217 bonds (distance) P-C4' energy: -149.689 flat angles C4'-P-C4' energy: -141.727 flat angles P-C4'-P energy: -100.807 tors. eta vs tors. theta energy: -141.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1772.394553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.394553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.394553 (E_RNA) where: Base-Base interactions energy: -1150.758 where: short stacking energy: -539.615 Base-Backbone interact. energy: 2.724 local terms energy: -624.360697 where: bonds (distance) C4'-P energy: -145.080 bonds (distance) P-C4' energy: -138.230 flat angles C4'-P-C4' energy: -126.714 flat angles P-C4'-P energy: -82.092 tors. eta vs tors. theta energy: -132.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1486.691667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.691667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.691667 (E_RNA) where: Base-Base interactions energy: -953.570 where: short stacking energy: -422.171 Base-Backbone interact. energy: 12.115 local terms energy: -545.236952 where: bonds (distance) C4'-P energy: -143.859 bonds (distance) P-C4' energy: -154.873 flat angles C4'-P-C4' energy: -118.841 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -52.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -986.876238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.876238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.876238 (E_RNA) where: Base-Base interactions energy: -536.651 where: short stacking energy: -276.387 Base-Backbone interact. energy: 0.827 local terms energy: -451.052112 where: bonds (distance) C4'-P energy: -120.029 bonds (distance) P-C4' energy: -157.300 flat angles C4'-P-C4' energy: -114.300 flat angles P-C4'-P energy: -61.945 tors. eta vs tors. theta energy: 2.522 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: 10 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3068.078467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.078467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.078467 (E_RNA) where: Base-Base interactions energy: -2175.711 where: short stacking energy: -903.447 Base-Backbone interact. energy: -2.883 local terms energy: -889.483673 where: bonds (distance) C4'-P energy: -163.198 bonds (distance) P-C4' energy: -171.783 flat angles C4'-P-C4' energy: -174.043 flat angles P-C4'-P energy: -134.539 tors. eta vs tors. theta energy: -245.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -2925.526260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.526260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.526260 (E_RNA) where: Base-Base interactions energy: -2023.423 where: short stacking energy: -903.511 Base-Backbone interact. energy: -2.344 local terms energy: -899.758434 where: bonds (distance) C4'-P energy: -150.755 bonds (distance) P-C4' energy: -159.071 flat angles C4'-P-C4' energy: -199.402 flat angles P-C4'-P energy: -135.190 tors. eta vs tors. theta energy: -255.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -2789.772195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.772195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.772195 (E_RNA) where: Base-Base interactions energy: -1939.330 where: short stacking energy: -881.531 Base-Backbone interact. energy: -3.420 local terms energy: -847.021462 where: bonds (distance) C4'-P energy: -146.524 bonds (distance) P-C4' energy: -156.555 flat angles C4'-P-C4' energy: -189.956 flat angles P-C4'-P energy: -110.188 tors. eta vs tors. theta energy: -243.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2649.005557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.005557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.005557 (E_RNA) where: Base-Base interactions energy: -1822.205 where: short stacking energy: -799.077 Base-Backbone interact. energy: -1.909 local terms energy: -824.891767 where: bonds (distance) C4'-P energy: -139.562 bonds (distance) P-C4' energy: -153.848 flat angles C4'-P-C4' energy: -186.967 flat angles P-C4'-P energy: -118.784 tors. eta vs tors. theta energy: -225.730 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: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2491.610256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.610256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.610256 (E_RNA) where: Base-Base interactions energy: -1699.909 where: short stacking energy: -720.799 Base-Backbone interact. energy: 0.740 local terms energy: -792.442003 where: bonds (distance) C4'-P energy: -148.915 bonds (distance) P-C4' energy: -175.211 flat angles C4'-P-C4' energy: -174.931 flat angles P-C4'-P energy: -101.786 tors. eta vs tors. theta energy: -191.598 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: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2278.131184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.131184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.131184 (E_RNA) where: Base-Base interactions energy: -1576.890 where: short stacking energy: -693.129 Base-Backbone interact. energy: -3.940 local terms energy: -697.301271 where: bonds (distance) C4'-P energy: -129.151 bonds (distance) P-C4' energy: -125.390 flat angles C4'-P-C4' energy: -160.691 flat angles P-C4'-P energy: -97.935 tors. eta vs tors. theta energy: -184.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2123.262839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.262839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.262839 (E_RNA) where: Base-Base interactions energy: -1434.289 where: short stacking energy: -601.333 Base-Backbone interact. energy: -1.107 local terms energy: -687.866616 where: bonds (distance) C4'-P energy: -147.283 bonds (distance) P-C4' energy: -146.305 flat angles C4'-P-C4' energy: -146.669 flat angles P-C4'-P energy: -100.371 tors. eta vs tors. theta energy: -147.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1715.572286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.572286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.572286 (E_RNA) where: Base-Base interactions energy: -1117.114 where: short stacking energy: -504.551 Base-Backbone interact. energy: -1.329 local terms energy: -597.129945 where: bonds (distance) C4'-P energy: -117.297 bonds (distance) P-C4' energy: -148.196 flat angles C4'-P-C4' energy: -155.488 flat angles P-C4'-P energy: -81.693 tors. eta vs tors. theta energy: -94.455 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: 9 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1489.169239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.169239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.169239 (E_RNA) where: Base-Base interactions energy: -952.063 where: short stacking energy: -437.708 Base-Backbone interact. energy: 0.154 local terms energy: -537.260684 where: bonds (distance) C4'-P energy: -125.053 bonds (distance) P-C4' energy: -141.101 flat angles C4'-P-C4' energy: -125.914 flat angles P-C4'-P energy: -84.097 tors. eta vs tors. theta energy: -61.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1050.998370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.998370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.998370 (E_RNA) where: Base-Base interactions energy: -580.881 where: short stacking energy: -324.293 Base-Backbone interact. energy: 12.231 local terms energy: -482.348301 where: bonds (distance) C4'-P energy: -145.041 bonds (distance) P-C4' energy: -123.551 flat angles C4'-P-C4' energy: -133.831 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -29.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3094.089219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.089219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.089219 (E_RNA) where: Base-Base interactions energy: -2200.952 where: short stacking energy: -901.748 Base-Backbone interact. energy: -5.149 local terms energy: -887.988861 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -153.858 flat angles C4'-P-C4' energy: -204.953 flat angles P-C4'-P energy: -125.056 tors. eta vs tors. theta energy: -247.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -2942.733902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.733902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.733902 (E_RNA) where: Base-Base interactions energy: -2045.636 where: short stacking energy: -886.442 Base-Backbone interact. energy: -2.671 local terms energy: -894.426502 where: bonds (distance) C4'-P energy: -159.184 bonds (distance) P-C4' energy: -168.896 flat angles C4'-P-C4' energy: -183.693 flat angles P-C4'-P energy: -117.341 tors. eta vs tors. theta energy: -265.313 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: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -2796.459486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.459486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.459486 (E_RNA) where: Base-Base interactions energy: -1950.197 where: short stacking energy: -856.198 Base-Backbone interact. energy: 0.095 local terms energy: -846.356970 where: bonds (distance) C4'-P energy: -139.277 bonds (distance) P-C4' energy: -164.158 flat angles C4'-P-C4' energy: -185.385 flat angles P-C4'-P energy: -123.685 tors. eta vs tors. theta energy: -233.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2669.755185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.755185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.755185 (E_RNA) where: Base-Base interactions energy: -1839.764 where: short stacking energy: -803.247 Base-Backbone interact. energy: -2.715 local terms energy: -827.275667 where: bonds (distance) C4'-P energy: -143.108 bonds (distance) P-C4' energy: -157.096 flat angles C4'-P-C4' energy: -165.509 flat angles P-C4'-P energy: -120.712 tors. eta vs tors. theta energy: -240.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2548.182171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.182171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.182171 (E_RNA) where: Base-Base interactions energy: -1756.475 where: short stacking energy: -737.040 Base-Backbone interact. energy: -2.772 local terms energy: -788.935092 where: bonds (distance) C4'-P energy: -133.577 bonds (distance) P-C4' energy: -147.823 flat angles C4'-P-C4' energy: -169.950 flat angles P-C4'-P energy: -135.905 tors. eta vs tors. theta energy: -201.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2288.582958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.582958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.582958 (E_RNA) where: Base-Base interactions energy: -1539.793 where: short stacking energy: -694.296 Base-Backbone interact. energy: -2.094 local terms energy: -746.695470 where: bonds (distance) C4'-P energy: -150.625 bonds (distance) P-C4' energy: -141.795 flat angles C4'-P-C4' energy: -154.893 flat angles P-C4'-P energy: -105.640 tors. eta vs tors. theta energy: -193.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2105.413301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.413301 (E_RNA) where: Base-Base interactions energy: -1491.511 where: short stacking energy: -633.852 Base-Backbone interact. energy: 0.943 local terms energy: -614.844386 where: bonds (distance) C4'-P energy: -119.102 bonds (distance) P-C4' energy: -118.979 flat angles C4'-P-C4' energy: -150.294 flat angles P-C4'-P energy: -83.025 tors. eta vs tors. theta energy: -143.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1753.117005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.117005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.117005 (E_RNA) where: Base-Base interactions energy: -1143.275 where: short stacking energy: -552.265 Base-Backbone interact. energy: 1.323 local terms energy: -611.165498 where: bonds (distance) C4'-P energy: -115.738 bonds (distance) P-C4' energy: -161.187 flat angles C4'-P-C4' energy: -137.466 flat angles P-C4'-P energy: -86.397 tors. eta vs tors. theta energy: -110.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1512.168745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.168745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.168745 (E_RNA) where: Base-Base interactions energy: -964.183 where: short stacking energy: -452.263 Base-Backbone interact. energy: 0.908 local terms energy: -548.894306 where: bonds (distance) C4'-P energy: -127.307 bonds (distance) P-C4' energy: -139.984 flat angles C4'-P-C4' energy: -129.629 flat angles P-C4'-P energy: -89.622 tors. eta vs tors. theta energy: -62.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1099.918778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.918778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.918778 (E_RNA) where: Base-Base interactions energy: -619.494 where: short stacking energy: -331.503 Base-Backbone interact. energy: 0.896 local terms energy: -481.320723 where: bonds (distance) C4'-P energy: -127.886 bonds (distance) P-C4' energy: -121.355 flat angles C4'-P-C4' energy: -117.304 flat angles P-C4'-P energy: -78.540 tors. eta vs tors. theta energy: -36.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3104.513252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.513252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.513252 (E_RNA) where: Base-Base interactions energy: -2183.565 where: short stacking energy: -898.596 Base-Backbone interact. energy: -2.974 local terms energy: -917.974518 where: bonds (distance) C4'-P energy: -165.708 bonds (distance) P-C4' energy: -179.831 flat angles C4'-P-C4' energy: -193.731 flat angles P-C4'-P energy: -126.999 tors. eta vs tors. theta energy: -251.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -2968.319898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.319898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.319898 (E_RNA) where: Base-Base interactions energy: -2073.214 where: short stacking energy: -907.334 Base-Backbone interact. energy: 3.872 local terms energy: -898.977345 where: bonds (distance) C4'-P energy: -161.301 bonds (distance) P-C4' energy: -167.056 flat angles C4'-P-C4' energy: -191.000 flat angles P-C4'-P energy: -120.562 tors. eta vs tors. theta energy: -259.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -2834.551243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.551243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.551243 (E_RNA) where: Base-Base interactions energy: -1970.262 where: short stacking energy: -869.401 Base-Backbone interact. energy: 3.585 local terms energy: -867.874109 where: bonds (distance) C4'-P energy: -151.175 bonds (distance) P-C4' energy: -153.274 flat angles C4'-P-C4' energy: -193.494 flat angles P-C4'-P energy: -123.848 tors. eta vs tors. theta energy: -246.083 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: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2673.938813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.938813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.938813 (E_RNA) where: Base-Base interactions energy: -1826.998 where: short stacking energy: -811.688 Base-Backbone interact. energy: -3.391 local terms energy: -843.549567 where: bonds (distance) C4'-P energy: -168.694 bonds (distance) P-C4' energy: -149.565 flat angles C4'-P-C4' energy: -184.048 flat angles P-C4'-P energy: -114.319 tors. eta vs tors. theta energy: -226.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -2439.066511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.066511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.066511 (E_RNA) where: Base-Base interactions energy: -1711.038 where: short stacking energy: -727.207 Base-Backbone interact. energy: 5.620 local terms energy: -733.649148 where: bonds (distance) C4'-P energy: -125.177 bonds (distance) P-C4' energy: -152.151 flat angles C4'-P-C4' energy: -172.062 flat angles P-C4'-P energy: -101.278 tors. eta vs tors. theta energy: -182.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2290.653550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.653550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.653550 (E_RNA) where: Base-Base interactions energy: -1543.702 where: short stacking energy: -668.629 Base-Backbone interact. energy: -2.485 local terms energy: -744.467021 where: bonds (distance) C4'-P energy: -150.114 bonds (distance) P-C4' energy: -145.583 flat angles C4'-P-C4' energy: -155.541 flat angles P-C4'-P energy: -102.863 tors. eta vs tors. theta energy: -190.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2149.681845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.681845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.681845 (E_RNA) where: Base-Base interactions energy: -1467.658 where: short stacking energy: -639.768 Base-Backbone interact. energy: -3.691 local terms energy: -678.333381 where: bonds (distance) C4'-P energy: -115.612 bonds (distance) P-C4' energy: -130.270 flat angles C4'-P-C4' energy: -163.610 flat angles P-C4'-P energy: -111.546 tors. eta vs tors. theta energy: -157.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1729.448782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.448782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.448782 (E_RNA) where: Base-Base interactions energy: -1139.208 where: short stacking energy: -528.965 Base-Backbone interact. energy: 0.680 local terms energy: -590.921618 where: bonds (distance) C4'-P energy: -132.057 bonds (distance) P-C4' energy: -141.937 flat angles C4'-P-C4' energy: -135.350 flat angles P-C4'-P energy: -85.490 tors. eta vs tors. theta energy: -96.086 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: 9 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1515.493833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.493833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.493833 (E_RNA) where: Base-Base interactions energy: -991.262 where: short stacking energy: -434.602 Base-Backbone interact. energy: 4.603 local terms energy: -528.834969 where: bonds (distance) C4'-P energy: -135.762 bonds (distance) P-C4' energy: -120.517 flat angles C4'-P-C4' energy: -137.720 flat angles P-C4'-P energy: -71.224 tors. eta vs tors. theta energy: -63.612 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: 4 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1138.326760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.326760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.326760 (E_RNA) where: Base-Base interactions energy: -644.497 where: short stacking energy: -291.642 Base-Backbone interact. energy: 7.765 local terms energy: -501.593848 where: bonds (distance) C4'-P energy: -145.618 bonds (distance) P-C4' energy: -155.128 flat angles C4'-P-C4' energy: -105.894 flat angles P-C4'-P energy: -66.143 tors. eta vs tors. theta energy: -28.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3077.494762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.494762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.494762 (E_RNA) where: Base-Base interactions energy: -2188.530 where: short stacking energy: -878.926 Base-Backbone interact. energy: -4.134 local terms energy: -884.830567 where: bonds (distance) C4'-P energy: -141.680 bonds (distance) P-C4' energy: -172.945 flat angles C4'-P-C4' energy: -195.801 flat angles P-C4'-P energy: -126.968 tors. eta vs tors. theta energy: -247.437 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: 418 Temperature: 0.950000 Total energy: -2947.371744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.371744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.371744 (E_RNA) where: Base-Base interactions energy: -2048.596 where: short stacking energy: -893.262 Base-Backbone interact. energy: 0.502 local terms energy: -899.277997 where: bonds (distance) C4'-P energy: -147.276 bonds (distance) P-C4' energy: -172.006 flat angles C4'-P-C4' energy: -186.491 flat angles P-C4'-P energy: -122.591 tors. eta vs tors. theta energy: -270.913 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: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -2815.029404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.029404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.029404 (E_RNA) where: Base-Base interactions energy: -1964.087 where: short stacking energy: -839.436 Base-Backbone interact. energy: 0.002 local terms energy: -850.944536 where: bonds (distance) C4'-P energy: -159.954 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -178.246 flat angles P-C4'-P energy: -120.086 tors. eta vs tors. theta energy: -240.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2679.450404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.450404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.450404 (E_RNA) where: Base-Base interactions energy: -1844.907 where: short stacking energy: -837.146 Base-Backbone interact. energy: -1.309 local terms energy: -833.234530 where: bonds (distance) C4'-P energy: -141.026 bonds (distance) P-C4' energy: -152.563 flat angles C4'-P-C4' energy: -186.183 flat angles P-C4'-P energy: -108.804 tors. eta vs tors. theta energy: -244.659 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: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2480.483018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.483018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.483018 (E_RNA) where: Base-Base interactions energy: -1710.360 where: short stacking energy: -717.570 Base-Backbone interact. energy: -0.379 local terms energy: -769.744069 where: bonds (distance) C4'-P energy: -138.275 bonds (distance) P-C4' energy: -157.130 flat angles C4'-P-C4' energy: -166.178 flat angles P-C4'-P energy: -119.154 tors. eta vs tors. theta energy: -189.007 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2345.731808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.731808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.731808 (E_RNA) where: Base-Base interactions energy: -1581.355 where: short stacking energy: -708.387 Base-Backbone interact. energy: -1.235 local terms energy: -763.141760 where: bonds (distance) C4'-P energy: -131.509 bonds (distance) P-C4' energy: -130.668 flat angles C4'-P-C4' energy: -178.577 flat angles P-C4'-P energy: -120.443 tors. eta vs tors. theta energy: -201.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2105.927799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.927799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.927799 (E_RNA) where: Base-Base interactions energy: -1419.769 where: short stacking energy: -617.587 Base-Backbone interact. energy: -5.540 local terms energy: -680.618991 where: bonds (distance) C4'-P energy: -136.193 bonds (distance) P-C4' energy: -148.065 flat angles C4'-P-C4' energy: -150.368 flat angles P-C4'-P energy: -99.109 tors. eta vs tors. theta energy: -146.883 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: 418 Temperature: 1.250000 Total energy: -1699.005596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.005596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.005596 (E_RNA) where: Base-Base interactions energy: -1118.682 where: short stacking energy: -508.135 Base-Backbone interact. energy: -1.392 local terms energy: -578.931320 where: bonds (distance) C4'-P energy: -144.816 bonds (distance) P-C4' energy: -146.794 flat angles C4'-P-C4' energy: -141.297 flat angles P-C4'-P energy: -65.035 tors. eta vs tors. theta energy: -80.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1495.196351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.196351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.196351 (E_RNA) where: Base-Base interactions energy: -933.426 where: short stacking energy: -435.687 Base-Backbone interact. energy: -0.406 local terms energy: -561.364109 where: bonds (distance) C4'-P energy: -135.509 bonds (distance) P-C4' energy: -121.791 flat angles C4'-P-C4' energy: -137.210 flat angles P-C4'-P energy: -105.635 tors. eta vs tors. theta energy: -61.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1167.307078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.307078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.307078 (E_RNA) where: Base-Base interactions energy: -690.759 where: short stacking energy: -324.606 Base-Backbone interact. energy: -0.179 local terms energy: -476.368718 where: bonds (distance) C4'-P energy: -115.617 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -125.550 flat angles P-C4'-P energy: -86.460 tors. eta vs tors. theta energy: -25.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3091.270459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.270459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.270459 (E_RNA) where: Base-Base interactions energy: -2205.711 where: short stacking energy: -911.387 Base-Backbone interact. energy: -0.606 local terms energy: -884.953107 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -158.329 flat angles C4'-P-C4' energy: -183.016 flat angles P-C4'-P energy: -134.161 tors. eta vs tors. theta energy: -253.803 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: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -2941.872982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.872982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.872982 (E_RNA) where: Base-Base interactions energy: -2066.149 where: short stacking energy: -907.902 Base-Backbone interact. energy: 4.672 local terms energy: -880.395883 where: bonds (distance) C4'-P energy: -153.180 bonds (distance) P-C4' energy: -150.444 flat angles C4'-P-C4' energy: -199.793 flat angles P-C4'-P energy: -119.762 tors. eta vs tors. theta energy: -257.216 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: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -2853.771961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.771961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.771961 (E_RNA) where: Base-Base interactions energy: -2010.057 where: short stacking energy: -877.931 Base-Backbone interact. energy: 1.294 local terms energy: -845.008659 where: bonds (distance) C4'-P energy: -149.396 bonds (distance) P-C4' energy: -162.896 flat angles C4'-P-C4' energy: -181.457 flat angles P-C4'-P energy: -102.727 tors. eta vs tors. theta energy: -248.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2708.767088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.767088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.767088 (E_RNA) where: Base-Base interactions energy: -1857.407 where: short stacking energy: -813.120 Base-Backbone interact. energy: -1.552 local terms energy: -849.808530 where: bonds (distance) C4'-P energy: -168.266 bonds (distance) P-C4' energy: -175.890 flat angles C4'-P-C4' energy: -170.656 flat angles P-C4'-P energy: -108.256 tors. eta vs tors. theta energy: -226.741 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: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2468.468371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.468371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.468371 (E_RNA) where: Base-Base interactions energy: -1718.092 where: short stacking energy: -708.781 Base-Backbone interact. energy: 2.223 local terms energy: -752.599605 where: bonds (distance) C4'-P energy: -142.153 bonds (distance) P-C4' energy: -139.397 flat angles C4'-P-C4' energy: -176.810 flat angles P-C4'-P energy: -107.704 tors. eta vs tors. theta energy: -186.536 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: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2361.164192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.164192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.164192 (E_RNA) where: Base-Base interactions energy: -1594.719 where: short stacking energy: -731.713 Base-Backbone interact. energy: 2.647 local terms energy: -769.092299 where: bonds (distance) C4'-P energy: -149.462 bonds (distance) P-C4' energy: -133.967 flat angles C4'-P-C4' energy: -162.293 flat angles P-C4'-P energy: -113.881 tors. eta vs tors. theta energy: -209.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2131.984467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.984467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.984467 (E_RNA) where: Base-Base interactions energy: -1448.986 where: short stacking energy: -619.655 Base-Backbone interact. energy: -2.302 local terms energy: -680.696516 where: bonds (distance) C4'-P energy: -132.467 bonds (distance) P-C4' energy: -143.209 flat angles C4'-P-C4' energy: -149.772 flat angles P-C4'-P energy: -106.198 tors. eta vs tors. theta energy: -149.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1685.323495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.323495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.323495 (E_RNA) where: Base-Base interactions energy: -1110.908 where: short stacking energy: -501.061 Base-Backbone interact. energy: 1.551 local terms energy: -575.966520 where: bonds (distance) C4'-P energy: -118.175 bonds (distance) P-C4' energy: -147.638 flat angles C4'-P-C4' energy: -142.528 flat angles P-C4'-P energy: -79.394 tors. eta vs tors. theta energy: -88.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1591.797039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.797039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.797039 (E_RNA) where: Base-Base interactions energy: -1032.418 where: short stacking energy: -457.794 Base-Backbone interact. energy: -2.508 local terms energy: -556.871494 where: bonds (distance) C4'-P energy: -131.839 bonds (distance) P-C4' energy: -119.160 flat angles C4'-P-C4' energy: -121.571 flat angles P-C4'-P energy: -97.786 tors. eta vs tors. theta energy: -86.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1141.257321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.257321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.257321 (E_RNA) where: Base-Base interactions energy: -634.480 where: short stacking energy: -338.198 Base-Backbone interact. energy: 1.764 local terms energy: -508.541904 where: bonds (distance) C4'-P energy: -121.350 bonds (distance) P-C4' energy: -144.698 flat angles C4'-P-C4' energy: -141.608 flat angles P-C4'-P energy: -60.166 tors. eta vs tors. theta energy: -40.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3075.930501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.930501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.930501 (E_RNA) where: Base-Base interactions energy: -2178.340 where: short stacking energy: -880.082 Base-Backbone interact. energy: -1.036 local terms energy: -896.554030 where: bonds (distance) C4'-P energy: -158.645 bonds (distance) P-C4' energy: -172.385 flat angles C4'-P-C4' energy: -201.438 flat angles P-C4'-P energy: -127.658 tors. eta vs tors. theta energy: -236.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -2990.881655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.881655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.881655 (E_RNA) where: Base-Base interactions energy: -2093.715 where: short stacking energy: -897.094 Base-Backbone interact. energy: 3.798 local terms energy: -900.964137 where: bonds (distance) C4'-P energy: -159.214 bonds (distance) P-C4' energy: -164.727 flat angles C4'-P-C4' energy: -194.673 flat angles P-C4'-P energy: -129.738 tors. eta vs tors. theta energy: -252.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -2815.143034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.143034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.143034 (E_RNA) where: Base-Base interactions energy: -1961.633 where: short stacking energy: -839.679 Base-Backbone interact. energy: -1.943 local terms energy: -851.566571 where: bonds (distance) C4'-P energy: -160.095 bonds (distance) P-C4' energy: -145.943 flat angles C4'-P-C4' energy: -183.179 flat angles P-C4'-P energy: -114.758 tors. eta vs tors. theta energy: -247.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2675.352702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.352702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.352702 (E_RNA) where: Base-Base interactions energy: -1869.280 where: short stacking energy: -812.436 Base-Backbone interact. energy: -3.569 local terms energy: -802.503671 where: bonds (distance) C4'-P energy: -145.609 bonds (distance) P-C4' energy: -139.107 flat angles C4'-P-C4' energy: -166.583 flat angles P-C4'-P energy: -118.435 tors. eta vs tors. theta energy: -232.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2511.349505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.349505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.349505 (E_RNA) where: Base-Base interactions energy: -1735.315 where: short stacking energy: -752.903 Base-Backbone interact. energy: -1.185 local terms energy: -774.849830 where: bonds (distance) C4'-P energy: -138.215 bonds (distance) P-C4' energy: -163.979 flat angles C4'-P-C4' energy: -165.800 flat angles P-C4'-P energy: -115.456 tors. eta vs tors. theta energy: -191.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2349.976155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.976155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.976155 (E_RNA) where: Base-Base interactions energy: -1609.773 where: short stacking energy: -725.438 Base-Backbone interact. energy: -3.421 local terms energy: -736.781393 where: bonds (distance) C4'-P energy: -121.758 bonds (distance) P-C4' energy: -139.020 flat angles C4'-P-C4' energy: -176.622 flat angles P-C4'-P energy: -104.377 tors. eta vs tors. theta energy: -195.005 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: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2097.829525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.829525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.829525 (E_RNA) where: Base-Base interactions energy: -1421.296 where: short stacking energy: -616.801 Base-Backbone interact. energy: -2.968 local terms energy: -673.565516 where: bonds (distance) C4'-P energy: -138.574 bonds (distance) P-C4' energy: -140.043 flat angles C4'-P-C4' energy: -154.729 flat angles P-C4'-P energy: -98.165 tors. eta vs tors. theta energy: -142.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1774.949448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.949448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.949448 (E_RNA) where: Base-Base interactions energy: -1142.941 where: short stacking energy: -517.471 Base-Backbone interact. energy: 0.981 local terms energy: -632.989458 where: bonds (distance) C4'-P energy: -134.005 bonds (distance) P-C4' energy: -139.721 flat angles C4'-P-C4' energy: -123.211 flat angles P-C4'-P energy: -109.201 tors. eta vs tors. theta energy: -126.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1582.633562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.633562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.633562 (E_RNA) where: Base-Base interactions energy: -1038.805 where: short stacking energy: -444.632 Base-Backbone interact. energy: 5.368 local terms energy: -549.195792 where: bonds (distance) C4'-P energy: -130.261 bonds (distance) P-C4' energy: -118.999 flat angles C4'-P-C4' energy: -138.532 flat angles P-C4'-P energy: -81.274 tors. eta vs tors. theta energy: -80.130 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: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1098.812266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.812266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.812266 (E_RNA) where: Base-Base interactions energy: -625.756 where: short stacking energy: -320.854 Base-Backbone interact. energy: -0.166 local terms energy: -472.890700 where: bonds (distance) C4'-P energy: -122.060 bonds (distance) P-C4' energy: -126.517 flat angles C4'-P-C4' energy: -117.777 flat angles P-C4'-P energy: -84.167 tors. eta vs tors. theta energy: -22.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3110.909292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.909292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.909292 (E_RNA) where: Base-Base interactions energy: -2209.457 where: short stacking energy: -892.487 Base-Backbone interact. energy: 1.293 local terms energy: -902.746130 where: bonds (distance) C4'-P energy: -172.160 bonds (distance) P-C4' energy: -174.065 flat angles C4'-P-C4' energy: -180.915 flat angles P-C4'-P energy: -119.517 tors. eta vs tors. theta energy: -256.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -2910.393245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.393245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.393245 (E_RNA) where: Base-Base interactions energy: -2031.343 where: short stacking energy: -857.577 Base-Backbone interact. energy: 2.834 local terms energy: -881.884708 where: bonds (distance) C4'-P energy: -156.122 bonds (distance) P-C4' energy: -182.945 flat angles C4'-P-C4' energy: -172.419 flat angles P-C4'-P energy: -126.561 tors. eta vs tors. theta energy: -243.838 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: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -2852.433810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.433810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.433810 (E_RNA) where: Base-Base interactions energy: -1967.301 where: short stacking energy: -853.781 Base-Backbone interact. energy: 0.025 local terms energy: -885.157635 where: bonds (distance) C4'-P energy: -157.027 bonds (distance) P-C4' energy: -159.710 flat angles C4'-P-C4' energy: -191.323 flat angles P-C4'-P energy: -129.233 tors. eta vs tors. theta energy: -247.865 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: 5 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2725.314048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.314048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.314048 (E_RNA) where: Base-Base interactions energy: -1903.338 where: short stacking energy: -811.417 Base-Backbone interact. energy: -1.704 local terms energy: -820.271824 where: bonds (distance) C4'-P energy: -150.739 bonds (distance) P-C4' energy: -149.783 flat angles C4'-P-C4' energy: -178.018 flat angles P-C4'-P energy: -118.944 tors. eta vs tors. theta energy: -222.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2475.940452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.940452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.940452 (E_RNA) where: Base-Base interactions energy: -1710.529 where: short stacking energy: -743.943 Base-Backbone interact. energy: 0.522 local terms energy: -765.933498 where: bonds (distance) C4'-P energy: -130.378 bonds (distance) P-C4' energy: -147.586 flat angles C4'-P-C4' energy: -182.775 flat angles P-C4'-P energy: -104.476 tors. eta vs tors. theta energy: -200.718 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: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2361.393894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.393894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.393894 (E_RNA) where: Base-Base interactions energy: -1622.452 where: short stacking energy: -704.173 Base-Backbone interact. energy: -2.492 local terms energy: -736.449399 where: bonds (distance) C4'-P energy: -132.791 bonds (distance) P-C4' energy: -154.231 flat angles C4'-P-C4' energy: -167.450 flat angles P-C4'-P energy: -87.094 tors. eta vs tors. theta energy: -194.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2056.748413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.748413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.748413 (E_RNA) where: Base-Base interactions energy: -1399.995 where: short stacking energy: -602.145 Base-Backbone interact. energy: 3.622 local terms energy: -660.376279 where: bonds (distance) C4'-P energy: -131.708 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -153.446 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -144.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1848.086133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.086133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.086133 (E_RNA) where: Base-Base interactions energy: -1230.574 where: short stacking energy: -555.179 Base-Backbone interact. energy: -0.965 local terms energy: -616.547237 where: bonds (distance) C4'-P energy: -131.563 bonds (distance) P-C4' energy: -144.516 flat angles C4'-P-C4' energy: -144.820 flat angles P-C4'-P energy: -78.981 tors. eta vs tors. theta energy: -116.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1605.424878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.424878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.424878 (E_RNA) where: Base-Base interactions energy: -1043.280 where: short stacking energy: -446.484 Base-Backbone interact. energy: -3.622 local terms energy: -558.522978 where: bonds (distance) C4'-P energy: -130.155 bonds (distance) P-C4' energy: -136.321 flat angles C4'-P-C4' energy: -129.631 flat angles P-C4'-P energy: -66.892 tors. eta vs tors. theta energy: -95.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1103.907597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.907597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.907597 (E_RNA) where: Base-Base interactions energy: -617.483 where: short stacking energy: -311.954 Base-Backbone interact. energy: 4.155 local terms energy: -490.579925 where: bonds (distance) C4'-P energy: -125.271 bonds (distance) P-C4' energy: -138.538 flat angles C4'-P-C4' energy: -136.400 flat angles P-C4'-P energy: -63.116 tors. eta vs tors. theta energy: -27.256 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: 1, replica: 10 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3111.907368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.907368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.907368 (E_RNA) where: Base-Base interactions energy: -2200.660 where: short stacking energy: -859.958 Base-Backbone interact. energy: -2.349 local terms energy: -908.898335 where: bonds (distance) C4'-P energy: -170.501 bonds (distance) P-C4' energy: -166.315 flat angles C4'-P-C4' energy: -198.830 flat angles P-C4'-P energy: -122.523 tors. eta vs tors. theta energy: -250.728 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: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -2962.004768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.004768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.004768 (E_RNA) where: Base-Base interactions energy: -2078.497 where: short stacking energy: -896.284 Base-Backbone interact. energy: 2.901 local terms energy: -886.408276 where: bonds (distance) C4'-P energy: -160.091 bonds (distance) P-C4' energy: -158.266 flat angles C4'-P-C4' energy: -194.616 flat angles P-C4'-P energy: -121.378 tors. eta vs tors. theta energy: -252.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -2821.808386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.808386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.808386 (E_RNA) where: Base-Base interactions energy: -1954.671 where: short stacking energy: -861.454 Base-Backbone interact. energy: -3.669 local terms energy: -863.469104 where: bonds (distance) C4'-P energy: -160.473 bonds (distance) P-C4' energy: -155.449 flat angles C4'-P-C4' energy: -192.467 flat angles P-C4'-P energy: -121.166 tors. eta vs tors. theta energy: -233.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2693.174614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.174614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.174614 (E_RNA) where: Base-Base interactions energy: -1877.106 where: short stacking energy: -818.679 Base-Backbone interact. energy: -1.780 local terms energy: -814.288520 where: bonds (distance) C4'-P energy: -144.109 bonds (distance) P-C4' energy: -149.892 flat angles C4'-P-C4' energy: -168.748 flat angles P-C4'-P energy: -122.440 tors. eta vs tors. theta energy: -229.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2458.710350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.710350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.710350 (E_RNA) where: Base-Base interactions energy: -1685.878 where: short stacking energy: -714.352 Base-Backbone interact. energy: -2.987 local terms energy: -769.845054 where: bonds (distance) C4'-P energy: -154.312 bonds (distance) P-C4' energy: -152.262 flat angles C4'-P-C4' energy: -152.874 flat angles P-C4'-P energy: -116.565 tors. eta vs tors. theta energy: -193.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2357.830382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.830382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.830382 (E_RNA) where: Base-Base interactions energy: -1635.435 where: short stacking energy: -715.160 Base-Backbone interact. energy: -0.089 local terms energy: -722.306226 where: bonds (distance) C4'-P energy: -141.353 bonds (distance) P-C4' energy: -134.380 flat angles C4'-P-C4' energy: -168.193 flat angles P-C4'-P energy: -87.112 tors. eta vs tors. theta energy: -191.267 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: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2079.025565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.025565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.025565 (E_RNA) where: Base-Base interactions energy: -1433.470 where: short stacking energy: -614.352 Base-Backbone interact. energy: 4.061 local terms energy: -649.616564 where: bonds (distance) C4'-P energy: -125.420 bonds (distance) P-C4' energy: -128.623 flat angles C4'-P-C4' energy: -145.930 flat angles P-C4'-P energy: -112.034 tors. eta vs tors. theta energy: -137.610 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: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1821.233135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.233135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.233135 (E_RNA) where: Base-Base interactions energy: -1200.670 where: short stacking energy: -539.251 Base-Backbone interact. energy: -4.489 local terms energy: -616.073934 where: bonds (distance) C4'-P energy: -120.509 bonds (distance) P-C4' energy: -136.032 flat angles C4'-P-C4' energy: -148.901 flat angles P-C4'-P energy: -95.852 tors. eta vs tors. theta energy: -114.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1583.718700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.718700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.718700 (E_RNA) where: Base-Base interactions energy: -1044.364 where: short stacking energy: -476.107 Base-Backbone interact. energy: -1.324 local terms energy: -538.030762 where: bonds (distance) C4'-P energy: -125.432 bonds (distance) P-C4' energy: -132.071 flat angles C4'-P-C4' energy: -133.610 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -80.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1118.980990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.980990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.980990 (E_RNA) where: Base-Base interactions energy: -652.243 where: short stacking energy: -344.607 Base-Backbone interact. energy: 2.627 local terms energy: -469.364250 where: bonds (distance) C4'-P energy: -116.322 bonds (distance) P-C4' energy: -120.177 flat angles C4'-P-C4' energy: -124.848 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -39.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3077.402830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.402830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.402830 (E_RNA) where: Base-Base interactions energy: -2197.634 where: short stacking energy: -898.454 Base-Backbone interact. energy: -1.909 local terms energy: -877.859740 where: bonds (distance) C4'-P energy: -147.057 bonds (distance) P-C4' energy: -150.632 flat angles C4'-P-C4' energy: -196.575 flat angles P-C4'-P energy: -127.068 tors. eta vs tors. theta energy: -256.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -2933.779921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.779921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.779921 (E_RNA) where: Base-Base interactions energy: -2049.205 where: short stacking energy: -883.996 Base-Backbone interact. energy: -1.294 local terms energy: -883.280401 where: bonds (distance) C4'-P energy: -151.094 bonds (distance) P-C4' energy: -168.623 flat angles C4'-P-C4' energy: -194.502 flat angles P-C4'-P energy: -121.391 tors. eta vs tors. theta energy: -247.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -2810.569048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.569048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.569048 (E_RNA) where: Base-Base interactions energy: -1971.489 where: short stacking energy: -873.477 Base-Backbone interact. energy: -4.043 local terms energy: -835.037225 where: bonds (distance) C4'-P energy: -154.324 bonds (distance) P-C4' energy: -143.536 flat angles C4'-P-C4' energy: -191.541 flat angles P-C4'-P energy: -106.136 tors. eta vs tors. theta energy: -239.500 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: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2680.897848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.897848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.897848 (E_RNA) where: Base-Base interactions energy: -1852.389 where: short stacking energy: -808.361 Base-Backbone interact. energy: -3.457 local terms energy: -825.052033 where: bonds (distance) C4'-P energy: -148.245 bonds (distance) P-C4' energy: -149.422 flat angles C4'-P-C4' energy: -174.554 flat angles P-C4'-P energy: -119.207 tors. eta vs tors. theta energy: -233.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2500.813544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.813544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.813544 (E_RNA) where: Base-Base interactions energy: -1706.733 where: short stacking energy: -715.326 Base-Backbone interact. energy: -3.609 local terms energy: -790.471467 where: bonds (distance) C4'-P energy: -150.791 bonds (distance) P-C4' energy: -155.200 flat angles C4'-P-C4' energy: -181.867 flat angles P-C4'-P energy: -104.402 tors. eta vs tors. theta energy: -198.212 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: 3 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2411.155168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.155168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.155168 (E_RNA) where: Base-Base interactions energy: -1681.332 where: short stacking energy: -755.018 Base-Backbone interact. energy: 1.151 local terms energy: -730.974460 where: bonds (distance) C4'-P energy: -153.819 bonds (distance) P-C4' energy: -128.460 flat angles C4'-P-C4' energy: -148.527 flat angles P-C4'-P energy: -101.123 tors. eta vs tors. theta energy: -199.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2049.288276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.288276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.288276 (E_RNA) where: Base-Base interactions energy: -1378.694 where: short stacking energy: -606.237 Base-Backbone interact. energy: -1.364 local terms energy: -669.230446 where: bonds (distance) C4'-P energy: -143.887 bonds (distance) P-C4' energy: -148.291 flat angles C4'-P-C4' energy: -143.743 flat angles P-C4'-P energy: -98.776 tors. eta vs tors. theta energy: -134.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1762.696429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.696429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.696429 (E_RNA) where: Base-Base interactions energy: -1164.501 where: short stacking energy: -488.217 Base-Backbone interact. energy: -3.850 local terms energy: -594.345903 where: bonds (distance) C4'-P energy: -140.209 bonds (distance) P-C4' energy: -163.546 flat angles C4'-P-C4' energy: -147.741 flat angles P-C4'-P energy: -63.557 tors. eta vs tors. theta energy: -79.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1475.236142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.236142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.236142 (E_RNA) where: Base-Base interactions energy: -941.209 where: short stacking energy: -416.823 Base-Backbone interact. energy: -0.805 local terms energy: -533.221887 where: bonds (distance) C4'-P energy: -124.595 bonds (distance) P-C4' energy: -120.171 flat angles C4'-P-C4' energy: -136.364 flat angles P-C4'-P energy: -92.375 tors. eta vs tors. theta energy: -59.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1061.152614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.152614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.152614 (E_RNA) where: Base-Base interactions energy: -638.417 where: short stacking energy: -319.770 Base-Backbone interact. energy: 1.484 local terms energy: -424.220100 where: bonds (distance) C4'-P energy: -124.573 bonds (distance) P-C4' energy: -142.389 flat angles C4'-P-C4' energy: -112.159 flat angles P-C4'-P energy: -50.523 tors. eta vs tors. theta energy: 5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3061.673666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.673666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.673666 (E_RNA) where: Base-Base interactions energy: -2159.053 where: short stacking energy: -897.881 Base-Backbone interact. energy: -3.667 local terms energy: -898.954392 where: bonds (distance) C4'-P energy: -157.776 bonds (distance) P-C4' energy: -159.532 flat angles C4'-P-C4' energy: -190.662 flat angles P-C4'-P energy: -130.886 tors. eta vs tors. theta energy: -260.099 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: 424 Temperature: 0.950000 Total energy: -2922.069619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.069619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.069619 (E_RNA) where: Base-Base interactions energy: -2035.885 where: short stacking energy: -875.583 Base-Backbone interact. energy: -2.992 local terms energy: -883.192950 where: bonds (distance) C4'-P energy: -158.963 bonds (distance) P-C4' energy: -159.024 flat angles C4'-P-C4' energy: -181.394 flat angles P-C4'-P energy: -134.064 tors. eta vs tors. theta energy: -249.748 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: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -2809.882765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.882765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.882765 (E_RNA) where: Base-Base interactions energy: -1965.876 where: short stacking energy: -862.952 Base-Backbone interact. energy: -2.584 local terms energy: -841.422776 where: bonds (distance) C4'-P energy: -159.298 bonds (distance) P-C4' energy: -145.612 flat angles C4'-P-C4' energy: -177.199 flat angles P-C4'-P energy: -118.304 tors. eta vs tors. theta energy: -241.010 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: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2690.798575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.798575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.798575 (E_RNA) where: Base-Base interactions energy: -1850.117 where: short stacking energy: -811.202 Base-Backbone interact. energy: -0.831 local terms energy: -839.850383 where: bonds (distance) C4'-P energy: -144.659 bonds (distance) P-C4' energy: -155.535 flat angles C4'-P-C4' energy: -174.152 flat angles P-C4'-P energy: -123.410 tors. eta vs tors. theta energy: -242.095 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: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2496.884458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.884458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.884458 (E_RNA) where: Base-Base interactions energy: -1721.876 where: short stacking energy: -716.647 Base-Backbone interact. energy: -1.377 local terms energy: -773.631500 where: bonds (distance) C4'-P energy: -149.605 bonds (distance) P-C4' energy: -154.023 flat angles C4'-P-C4' energy: -175.361 flat angles P-C4'-P energy: -101.200 tors. eta vs tors. theta energy: -193.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2362.288564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.288564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.288564 (E_RNA) where: Base-Base interactions energy: -1618.654 where: short stacking energy: -714.329 Base-Backbone interact. energy: 2.135 local terms energy: -745.769151 where: bonds (distance) C4'-P energy: -132.539 bonds (distance) P-C4' energy: -149.152 flat angles C4'-P-C4' energy: -161.444 flat angles P-C4'-P energy: -110.081 tors. eta vs tors. theta energy: -192.554 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: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2065.321625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.321625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.321625 (E_RNA) where: Base-Base interactions energy: -1389.109 where: short stacking energy: -590.561 Base-Backbone interact. energy: -3.610 local terms energy: -672.602117 where: bonds (distance) C4'-P energy: -124.530 bonds (distance) P-C4' energy: -155.658 flat angles C4'-P-C4' energy: -151.671 flat angles P-C4'-P energy: -110.722 tors. eta vs tors. theta energy: -130.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1792.296956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.296956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.296956 (E_RNA) where: Base-Base interactions energy: -1194.084 where: short stacking energy: -522.830 Base-Backbone interact. energy: -2.854 local terms energy: -595.359761 where: bonds (distance) C4'-P energy: -117.305 bonds (distance) P-C4' energy: -143.588 flat angles C4'-P-C4' energy: -145.572 flat angles P-C4'-P energy: -82.874 tors. eta vs tors. theta energy: -106.020 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: 9, replica: 9 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1407.817510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.817510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.817510 (E_RNA) where: Base-Base interactions energy: -878.477 where: short stacking energy: -397.585 Base-Backbone interact. energy: 0.583 local terms energy: -529.923714 where: bonds (distance) C4'-P energy: -137.975 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -122.643 flat angles P-C4'-P energy: -71.563 tors. eta vs tors. theta energy: -54.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1101.687992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.687992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.687992 (E_RNA) where: Base-Base interactions energy: -609.539 where: short stacking energy: -309.705 Base-Backbone interact. energy: 4.510 local terms energy: -496.658390 where: bonds (distance) C4'-P energy: -123.833 bonds (distance) P-C4' energy: -129.820 flat angles C4'-P-C4' energy: -117.681 flat angles P-C4'-P energy: -89.966 tors. eta vs tors. theta energy: -35.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3101.187825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.187825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.187825 (E_RNA) where: Base-Base interactions energy: -2187.965 where: short stacking energy: -887.486 Base-Backbone interact. energy: -2.975 local terms energy: -910.247875 where: bonds (distance) C4'-P energy: -164.505 bonds (distance) P-C4' energy: -171.847 flat angles C4'-P-C4' energy: -188.548 flat angles P-C4'-P energy: -132.457 tors. eta vs tors. theta energy: -252.891 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: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -2908.957686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.957686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.957686 (E_RNA) where: Base-Base interactions energy: -2012.706 where: short stacking energy: -855.093 Base-Backbone interact. energy: -3.763 local terms energy: -892.488596 where: bonds (distance) C4'-P energy: -169.106 bonds (distance) P-C4' energy: -145.028 flat angles C4'-P-C4' energy: -198.970 flat angles P-C4'-P energy: -130.298 tors. eta vs tors. theta energy: -249.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -2815.101267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.101267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.101267 (E_RNA) where: Base-Base interactions energy: -1952.414 where: short stacking energy: -869.150 Base-Backbone interact. energy: -2.211 local terms energy: -860.476257 where: bonds (distance) C4'-P energy: -160.252 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -182.424 flat angles P-C4'-P energy: -122.027 tors. eta vs tors. theta energy: -228.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2685.226404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.226404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.226404 (E_RNA) where: Base-Base interactions energy: -1865.365 where: short stacking energy: -820.584 Base-Backbone interact. energy: -4.111 local terms energy: -815.750068 where: bonds (distance) C4'-P energy: -135.805 bonds (distance) P-C4' energy: -149.303 flat angles C4'-P-C4' energy: -187.309 flat angles P-C4'-P energy: -107.127 tors. eta vs tors. theta energy: -236.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2484.797619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2484.797619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2484.797619 (E_RNA) where: Base-Base interactions energy: -1741.890 where: short stacking energy: -727.517 Base-Backbone interact. energy: -1.730 local terms energy: -741.178361 where: bonds (distance) C4'-P energy: -145.536 bonds (distance) P-C4' energy: -140.138 flat angles C4'-P-C4' energy: -149.378 flat angles P-C4'-P energy: -99.674 tors. eta vs tors. theta energy: -206.452 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: 6, replica: 3 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2389.377196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.377196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.377196 (E_RNA) where: Base-Base interactions energy: -1626.583 where: short stacking energy: -728.936 Base-Backbone interact. energy: 2.145 local terms energy: -764.939352 where: bonds (distance) C4'-P energy: -151.717 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -166.204 flat angles P-C4'-P energy: -103.322 tors. eta vs tors. theta energy: -184.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2102.166069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.166069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.166069 (E_RNA) where: Base-Base interactions energy: -1422.806 where: short stacking energy: -612.618 Base-Backbone interact. energy: 1.828 local terms energy: -681.187571 where: bonds (distance) C4'-P energy: -127.352 bonds (distance) P-C4' energy: -142.264 flat angles C4'-P-C4' energy: -168.570 flat angles P-C4'-P energy: -92.842 tors. eta vs tors. theta energy: -150.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1781.458411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.458411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.458411 (E_RNA) where: Base-Base interactions energy: -1200.000 where: short stacking energy: -519.671 Base-Backbone interact. energy: -1.337 local terms energy: -580.121219 where: bonds (distance) C4'-P energy: -132.387 bonds (distance) P-C4' energy: -125.473 flat angles C4'-P-C4' energy: -132.975 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -116.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1382.446376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.446376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.446376 (E_RNA) where: Base-Base interactions energy: -879.785 where: short stacking energy: -376.984 Base-Backbone interact. energy: -2.290 local terms energy: -500.371019 where: bonds (distance) C4'-P energy: -137.937 bonds (distance) P-C4' energy: -126.661 flat angles C4'-P-C4' energy: -128.467 flat angles P-C4'-P energy: -59.036 tors. eta vs tors. theta energy: -48.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1090.500997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.500997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.500997 (E_RNA) where: Base-Base interactions energy: -616.319 where: short stacking energy: -320.055 Base-Backbone interact. energy: -3.919 local terms energy: -470.262685 where: bonds (distance) C4'-P energy: -114.256 bonds (distance) P-C4' energy: -125.461 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -94.531 tors. eta vs tors. theta energy: -19.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3095.227642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.227642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.227642 (E_RNA) where: Base-Base interactions energy: -2187.203 where: short stacking energy: -903.619 Base-Backbone interact. energy: -2.658 local terms energy: -905.366764 where: bonds (distance) C4'-P energy: -167.003 bonds (distance) P-C4' energy: -160.548 flat angles C4'-P-C4' energy: -197.202 flat angles P-C4'-P energy: -130.938 tors. eta vs tors. theta energy: -249.676 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: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -2919.617629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.617629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.617629 (E_RNA) where: Base-Base interactions energy: -2034.102 where: short stacking energy: -897.601 Base-Backbone interact. energy: -1.128 local terms energy: -884.387519 where: bonds (distance) C4'-P energy: -158.871 bonds (distance) P-C4' energy: -151.474 flat angles C4'-P-C4' energy: -185.269 flat angles P-C4'-P energy: -132.283 tors. eta vs tors. theta energy: -256.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -2799.916500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.916500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.916500 (E_RNA) where: Base-Base interactions energy: -1943.997 where: short stacking energy: -843.602 Base-Backbone interact. energy: -2.116 local terms energy: -853.803886 where: bonds (distance) C4'-P energy: -148.829 bonds (distance) P-C4' energy: -158.502 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -132.498 tors. eta vs tors. theta energy: -238.102 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: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2665.689665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.689665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.689665 (E_RNA) where: Base-Base interactions energy: -1850.910 where: short stacking energy: -808.916 Base-Backbone interact. energy: -2.474 local terms energy: -812.305731 where: bonds (distance) C4'-P energy: -141.264 bonds (distance) P-C4' energy: -142.370 flat angles C4'-P-C4' energy: -188.249 flat angles P-C4'-P energy: -103.455 tors. eta vs tors. theta energy: -236.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2461.694993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.694993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.694993 (E_RNA) where: Base-Base interactions energy: -1683.800 where: short stacking energy: -729.640 Base-Backbone interact. energy: -0.299 local terms energy: -777.595782 where: bonds (distance) C4'-P energy: -148.793 bonds (distance) P-C4' energy: -154.905 flat angles C4'-P-C4' energy: -161.233 flat angles P-C4'-P energy: -103.315 tors. eta vs tors. theta energy: -209.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2384.712247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.712247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.712247 (E_RNA) where: Base-Base interactions energy: -1648.125 where: short stacking energy: -694.272 Base-Backbone interact. energy: -0.570 local terms energy: -736.016962 where: bonds (distance) C4'-P energy: -138.253 bonds (distance) P-C4' energy: -156.919 flat angles C4'-P-C4' energy: -164.341 flat angles P-C4'-P energy: -96.924 tors. eta vs tors. theta energy: -179.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2131.660605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.660605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.660605 (E_RNA) where: Base-Base interactions energy: -1444.491 where: short stacking energy: -621.337 Base-Backbone interact. energy: 1.832 local terms energy: -689.000866 where: bonds (distance) C4'-P energy: -140.790 bonds (distance) P-C4' energy: -146.990 flat angles C4'-P-C4' energy: -156.047 flat angles P-C4'-P energy: -96.641 tors. eta vs tors. theta energy: -148.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -1760.535174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.535174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.535174 (E_RNA) where: Base-Base interactions energy: -1169.986 where: short stacking energy: -505.659 Base-Backbone interact. energy: 3.224 local terms energy: -593.773345 where: bonds (distance) C4'-P energy: -122.585 bonds (distance) P-C4' energy: -155.663 flat angles C4'-P-C4' energy: -128.411 flat angles P-C4'-P energy: -96.878 tors. eta vs tors. theta energy: -90.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1481.727025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.727025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.727025 (E_RNA) where: Base-Base interactions energy: -915.810 where: short stacking energy: -435.975 Base-Backbone interact. energy: 1.493 local terms energy: -567.410486 where: bonds (distance) C4'-P energy: -134.100 bonds (distance) P-C4' energy: -142.308 flat angles C4'-P-C4' energy: -139.326 flat angles P-C4'-P energy: -80.525 tors. eta vs tors. theta energy: -71.151 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: 4 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1110.851647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.851647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.851647 (E_RNA) where: Base-Base interactions energy: -593.739 where: short stacking energy: -301.625 Base-Backbone interact. energy: -0.589 local terms energy: -516.523941 where: bonds (distance) C4'-P energy: -139.865 bonds (distance) P-C4' energy: -147.499 flat angles C4'-P-C4' energy: -130.716 flat angles P-C4'-P energy: -81.750 tors. eta vs tors. theta energy: -16.694 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: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3083.837628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.837628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.837628 (E_RNA) where: Base-Base interactions energy: -2205.120 where: short stacking energy: -913.722 Base-Backbone interact. energy: -2.222 local terms energy: -876.495897 where: bonds (distance) C4'-P energy: -152.217 bonds (distance) P-C4' energy: -160.876 flat angles C4'-P-C4' energy: -186.720 flat angles P-C4'-P energy: -124.720 tors. eta vs tors. theta energy: -251.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -2900.079966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.079966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.079966 (E_RNA) where: Base-Base interactions energy: -2013.605 where: short stacking energy: -883.640 Base-Backbone interact. energy: -0.812 local terms energy: -885.663437 where: bonds (distance) C4'-P energy: -156.686 bonds (distance) P-C4' energy: -156.596 flat angles C4'-P-C4' energy: -197.260 flat angles P-C4'-P energy: -118.905 tors. eta vs tors. theta energy: -256.215 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: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -2807.437453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.437453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.437453 (E_RNA) where: Base-Base interactions energy: -1933.446 where: short stacking energy: -827.688 Base-Backbone interact. energy: -1.941 local terms energy: -872.050553 where: bonds (distance) C4'-P energy: -161.603 bonds (distance) P-C4' energy: -161.893 flat angles C4'-P-C4' energy: -182.268 flat angles P-C4'-P energy: -119.890 tors. eta vs tors. theta energy: -246.397 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: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2671.063094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.063094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.063094 (E_RNA) where: Base-Base interactions energy: -1821.991 where: short stacking energy: -793.384 Base-Backbone interact. energy: -0.569 local terms energy: -848.502858 where: bonds (distance) C4'-P energy: -152.359 bonds (distance) P-C4' energy: -171.580 flat angles C4'-P-C4' energy: -181.900 flat angles P-C4'-P energy: -116.417 tors. eta vs tors. theta energy: -226.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2473.482394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.482394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.482394 (E_RNA) where: Base-Base interactions energy: -1697.033 where: short stacking energy: -719.211 Base-Backbone interact. energy: -4.153 local terms energy: -772.296969 where: bonds (distance) C4'-P energy: -138.962 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -167.820 flat angles P-C4'-P energy: -108.439 tors. eta vs tors. theta energy: -201.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2373.840996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.840996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.840996 (E_RNA) where: Base-Base interactions energy: -1619.265 where: short stacking energy: -707.664 Base-Backbone interact. energy: 1.051 local terms energy: -755.627126 where: bonds (distance) C4'-P energy: -137.146 bonds (distance) P-C4' energy: -145.751 flat angles C4'-P-C4' energy: -170.036 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -198.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2065.859485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.859485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.859485 (E_RNA) where: Base-Base interactions energy: -1388.193 where: short stacking energy: -594.710 Base-Backbone interact. energy: 2.527 local terms energy: -680.194353 where: bonds (distance) C4'-P energy: -143.288 bonds (distance) P-C4' energy: -132.447 flat angles C4'-P-C4' energy: -154.849 flat angles P-C4'-P energy: -99.450 tors. eta vs tors. theta energy: -150.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -1899.966092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.966092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.966092 (E_RNA) where: Base-Base interactions energy: -1278.846 where: short stacking energy: -551.199 Base-Backbone interact. energy: 0.435 local terms energy: -621.555350 where: bonds (distance) C4'-P energy: -135.227 bonds (distance) P-C4' energy: -124.624 flat angles C4'-P-C4' energy: -152.019 flat angles P-C4'-P energy: -91.903 tors. eta vs tors. theta energy: -117.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1448.966874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.966874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.966874 (E_RNA) where: Base-Base interactions energy: -947.897 where: short stacking energy: -404.894 Base-Backbone interact. energy: -2.830 local terms energy: -498.239940 where: bonds (distance) C4'-P energy: -132.790 bonds (distance) P-C4' energy: -124.459 flat angles C4'-P-C4' energy: -102.432 flat angles P-C4'-P energy: -88.506 tors. eta vs tors. theta energy: -50.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1079.044302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.044302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.044302 (E_RNA) where: Base-Base interactions energy: -599.298 where: short stacking energy: -273.293 Base-Backbone interact. energy: 2.975 local terms energy: -482.721127 where: bonds (distance) C4'-P energy: -118.237 bonds (distance) P-C4' energy: -156.824 flat angles C4'-P-C4' energy: -118.257 flat angles P-C4'-P energy: -75.691 tors. eta vs tors. theta energy: -13.712 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: 10 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3110.485248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.485248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.485248 (E_RNA) where: Base-Base interactions energy: -2210.062 where: short stacking energy: -898.184 Base-Backbone interact. energy: -2.349 local terms energy: -898.074364 where: bonds (distance) C4'-P energy: -169.344 bonds (distance) P-C4' energy: -172.795 flat angles C4'-P-C4' energy: -183.052 flat angles P-C4'-P energy: -124.662 tors. eta vs tors. theta energy: -248.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -2967.592758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.592758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.592758 (E_RNA) where: Base-Base interactions energy: -2069.136 where: short stacking energy: -913.765 Base-Backbone interact. energy: 6.007 local terms energy: -904.463403 where: bonds (distance) C4'-P energy: -169.785 bonds (distance) P-C4' energy: -149.446 flat angles C4'-P-C4' energy: -188.658 flat angles P-C4'-P energy: -143.544 tors. eta vs tors. theta energy: -253.030 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: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -2777.861010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.861010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.861010 (E_RNA) where: Base-Base interactions energy: -1942.657 where: short stacking energy: -826.054 Base-Backbone interact. energy: 0.275 local terms energy: -835.478183 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -156.474 flat angles C4'-P-C4' energy: -177.793 flat angles P-C4'-P energy: -109.354 tors. eta vs tors. theta energy: -237.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2682.174211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.174211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.174211 (E_RNA) where: Base-Base interactions energy: -1862.260 where: short stacking energy: -799.738 Base-Backbone interact. energy: -1.523 local terms energy: -818.391328 where: bonds (distance) C4'-P energy: -146.912 bonds (distance) P-C4' energy: -161.245 flat angles C4'-P-C4' energy: -183.823 flat angles P-C4'-P energy: -107.049 tors. eta vs tors. theta energy: -219.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2468.624711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.624711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.624711 (E_RNA) where: Base-Base interactions energy: -1695.974 where: short stacking energy: -727.565 Base-Backbone interact. energy: -3.361 local terms energy: -769.289867 where: bonds (distance) C4'-P energy: -133.062 bonds (distance) P-C4' energy: -147.100 flat angles C4'-P-C4' energy: -170.323 flat angles P-C4'-P energy: -116.453 tors. eta vs tors. theta energy: -202.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2360.583397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.583397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.583397 (E_RNA) where: Base-Base interactions energy: -1607.227 where: short stacking energy: -693.966 Base-Backbone interact. energy: -0.963 local terms energy: -752.393398 where: bonds (distance) C4'-P energy: -136.202 bonds (distance) P-C4' energy: -160.242 flat angles C4'-P-C4' energy: -174.239 flat angles P-C4'-P energy: -103.571 tors. eta vs tors. theta energy: -178.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2112.210952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.210952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.210952 (E_RNA) where: Base-Base interactions energy: -1473.632 where: short stacking energy: -643.681 Base-Backbone interact. energy: 0.162 local terms energy: -638.740881 where: bonds (distance) C4'-P energy: -123.493 bonds (distance) P-C4' energy: -117.322 flat angles C4'-P-C4' energy: -150.553 flat angles P-C4'-P energy: -103.701 tors. eta vs tors. theta energy: -143.672 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: 428 Temperature: 1.250000 Total energy: -1905.251535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.251535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.251535 (E_RNA) where: Base-Base interactions energy: -1300.553 where: short stacking energy: -548.353 Base-Backbone interact. energy: 1.549 local terms energy: -606.246989 where: bonds (distance) C4'-P energy: -126.645 bonds (distance) P-C4' energy: -133.858 flat angles C4'-P-C4' energy: -150.239 flat angles P-C4'-P energy: -80.868 tors. eta vs tors. theta energy: -114.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1476.256532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.256532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.256532 (E_RNA) where: Base-Base interactions energy: -923.211 where: short stacking energy: -433.708 Base-Backbone interact. energy: -2.038 local terms energy: -551.007607 where: bonds (distance) C4'-P energy: -144.204 bonds (distance) P-C4' energy: -147.822 flat angles C4'-P-C4' energy: -125.547 flat angles P-C4'-P energy: -75.103 tors. eta vs tors. theta energy: -58.332 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: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1070.982925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.982925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.982925 (E_RNA) where: Base-Base interactions energy: -592.229 where: short stacking energy: -296.181 Base-Backbone interact. energy: -1.471 local terms energy: -477.283391 where: bonds (distance) C4'-P energy: -118.185 bonds (distance) P-C4' energy: -135.817 flat angles C4'-P-C4' energy: -141.050 flat angles P-C4'-P energy: -70.219 tors. eta vs tors. theta energy: -12.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3086.511858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.511858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.511858 (E_RNA) where: Base-Base interactions energy: -2157.725 where: short stacking energy: -886.865 Base-Backbone interact. energy: 1.023 local terms energy: -929.810061 where: bonds (distance) C4'-P energy: -178.311 bonds (distance) P-C4' energy: -164.645 flat angles C4'-P-C4' energy: -203.559 flat angles P-C4'-P energy: -129.424 tors. eta vs tors. theta energy: -253.871 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: 429 Temperature: 0.950000 Total energy: -2916.820346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.820346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.820346 (E_RNA) where: Base-Base interactions energy: -2031.149 where: short stacking energy: -878.363 Base-Backbone interact. energy: 0.319 local terms energy: -885.990344 where: bonds (distance) C4'-P energy: -144.895 bonds (distance) P-C4' energy: -164.702 flat angles C4'-P-C4' energy: -211.183 flat angles P-C4'-P energy: -119.650 tors. eta vs tors. theta energy: -245.560 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: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -2819.280167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.280167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.280167 (E_RNA) where: Base-Base interactions energy: -1981.002 where: short stacking energy: -870.162 Base-Backbone interact. energy: 0.909 local terms energy: -839.187106 where: bonds (distance) C4'-P energy: -139.464 bonds (distance) P-C4' energy: -154.217 flat angles C4'-P-C4' energy: -177.457 flat angles P-C4'-P energy: -118.990 tors. eta vs tors. theta energy: -249.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2676.419856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.419856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.419856 (E_RNA) where: Base-Base interactions energy: -1869.227 where: short stacking energy: -835.395 Base-Backbone interact. energy: 0.637 local terms energy: -807.829809 where: bonds (distance) C4'-P energy: -135.106 bonds (distance) P-C4' energy: -147.278 flat angles C4'-P-C4' energy: -183.748 flat angles P-C4'-P energy: -106.790 tors. eta vs tors. theta energy: -234.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2502.197359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.197359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.197359 (E_RNA) where: Base-Base interactions energy: -1720.532 where: short stacking energy: -757.102 Base-Backbone interact. energy: -2.624 local terms energy: -779.041220 where: bonds (distance) C4'-P energy: -160.732 bonds (distance) P-C4' energy: -138.019 flat angles C4'-P-C4' energy: -166.108 flat angles P-C4'-P energy: -115.651 tors. eta vs tors. theta energy: -198.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2356.995676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.995676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.995676 (E_RNA) where: Base-Base interactions energy: -1633.601 where: short stacking energy: -717.540 Base-Backbone interact. energy: -4.400 local terms energy: -718.994384 where: bonds (distance) C4'-P energy: -121.845 bonds (distance) P-C4' energy: -141.841 flat angles C4'-P-C4' energy: -157.308 flat angles P-C4'-P energy: -109.906 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2121.972879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.972879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.972879 (E_RNA) where: Base-Base interactions energy: -1455.796 where: short stacking energy: -625.120 Base-Backbone interact. energy: -1.179 local terms energy: -664.997700 where: bonds (distance) C4'-P energy: -137.472 bonds (distance) P-C4' energy: -149.712 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -89.916 tors. eta vs tors. theta energy: -142.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1866.489039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.489039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.489039 (E_RNA) where: Base-Base interactions energy: -1257.714 where: short stacking energy: -522.652 Base-Backbone interact. energy: 1.544 local terms energy: -610.319485 where: bonds (distance) C4'-P energy: -152.245 bonds (distance) P-C4' energy: -131.295 flat angles C4'-P-C4' energy: -139.787 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -94.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1472.612713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.612713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.612713 (E_RNA) where: Base-Base interactions energy: -927.892 where: short stacking energy: -428.720 Base-Backbone interact. energy: 1.375 local terms energy: -546.096283 where: bonds (distance) C4'-P energy: -121.023 bonds (distance) P-C4' energy: -129.166 flat angles C4'-P-C4' energy: -125.255 flat angles P-C4'-P energy: -96.861 tors. eta vs tors. theta energy: -73.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1052.599846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.599846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.599846 (E_RNA) where: Base-Base interactions energy: -581.565 where: short stacking energy: -327.487 Base-Backbone interact. energy: 2.626 local terms energy: -473.660856 where: bonds (distance) C4'-P energy: -117.438 bonds (distance) P-C4' energy: -131.666 flat angles C4'-P-C4' energy: -137.026 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -14.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3078.011878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.011878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.011878 (E_RNA) where: Base-Base interactions energy: -2165.673 where: short stacking energy: -880.281 Base-Backbone interact. energy: -3.861 local terms energy: -908.478230 where: bonds (distance) C4'-P energy: -147.369 bonds (distance) P-C4' energy: -177.616 flat angles C4'-P-C4' energy: -198.112 flat angles P-C4'-P energy: -141.403 tors. eta vs tors. theta energy: -243.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -2912.429704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.429704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.429704 (E_RNA) where: Base-Base interactions energy: -2020.850 where: short stacking energy: -893.648 Base-Backbone interact. energy: 1.723 local terms energy: -893.303403 where: bonds (distance) C4'-P energy: -158.180 bonds (distance) P-C4' energy: -165.345 flat angles C4'-P-C4' energy: -182.400 flat angles P-C4'-P energy: -131.466 tors. eta vs tors. theta energy: -255.913 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: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -2810.759143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.759143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.759143 (E_RNA) where: Base-Base interactions energy: -1947.331 where: short stacking energy: -852.275 Base-Backbone interact. energy: 0.943 local terms energy: -864.371699 where: bonds (distance) C4'-P energy: -157.294 bonds (distance) P-C4' energy: -161.719 flat angles C4'-P-C4' energy: -178.640 flat angles P-C4'-P energy: -117.455 tors. eta vs tors. theta energy: -249.264 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: 5 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2681.943994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.943994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.943994 (E_RNA) where: Base-Base interactions energy: -1861.606 where: short stacking energy: -814.508 Base-Backbone interact. energy: -2.601 local terms energy: -817.737228 where: bonds (distance) C4'-P energy: -138.199 bonds (distance) P-C4' energy: -143.884 flat angles C4'-P-C4' energy: -189.996 flat angles P-C4'-P energy: -116.116 tors. eta vs tors. theta energy: -229.542 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: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2493.578472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.578472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.578472 (E_RNA) where: Base-Base interactions energy: -1709.895 where: short stacking energy: -722.374 Base-Backbone interact. energy: -2.677 local terms energy: -781.006355 where: bonds (distance) C4'-P energy: -138.668 bonds (distance) P-C4' energy: -152.210 flat angles C4'-P-C4' energy: -172.016 flat angles P-C4'-P energy: -118.244 tors. eta vs tors. theta energy: -199.868 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: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2408.078756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2408.078756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2408.078756 (E_RNA) where: Base-Base interactions energy: -1661.382 where: short stacking energy: -746.655 Base-Backbone interact. energy: -0.305 local terms energy: -746.392016 where: bonds (distance) C4'-P energy: -152.329 bonds (distance) P-C4' energy: -142.859 flat angles C4'-P-C4' energy: -162.805 flat angles P-C4'-P energy: -99.666 tors. eta vs tors. theta energy: -188.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2139.170809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.170809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.170809 (E_RNA) where: Base-Base interactions energy: -1456.936 where: short stacking energy: -604.604 Base-Backbone interact. energy: 2.218 local terms energy: -684.452610 where: bonds (distance) C4'-P energy: -150.003 bonds (distance) P-C4' energy: -145.804 flat angles C4'-P-C4' energy: -150.093 flat angles P-C4'-P energy: -103.042 tors. eta vs tors. theta energy: -135.511 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: 430 Temperature: 1.250000 Total energy: -1878.326139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.326139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.326139 (E_RNA) where: Base-Base interactions energy: -1240.926 where: short stacking energy: -559.013 Base-Backbone interact. energy: -2.452 local terms energy: -634.948486 where: bonds (distance) C4'-P energy: -129.573 bonds (distance) P-C4' energy: -126.099 flat angles C4'-P-C4' energy: -152.301 flat angles P-C4'-P energy: -113.160 tors. eta vs tors. theta energy: -113.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1471.642939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.642939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.642939 (E_RNA) where: Base-Base interactions energy: -908.634 where: short stacking energy: -448.912 Base-Backbone interact. energy: 0.033 local terms energy: -563.042392 where: bonds (distance) C4'-P energy: -110.834 bonds (distance) P-C4' energy: -140.019 flat angles C4'-P-C4' energy: -158.210 flat angles P-C4'-P energy: -66.496 tors. eta vs tors. theta energy: -87.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1012.187720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.187720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.187720 (E_RNA) where: Base-Base interactions energy: -524.187 where: short stacking energy: -271.319 Base-Backbone interact. energy: 0.759 local terms energy: -488.759492 where: bonds (distance) C4'-P energy: -122.921 bonds (distance) P-C4' energy: -125.556 flat angles C4'-P-C4' energy: -144.377 flat angles P-C4'-P energy: -83.684 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3059.663241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.663241 (E_RNA) where: Base-Base interactions energy: -2175.347 where: short stacking energy: -888.619 Base-Backbone interact. energy: -2.036 local terms energy: -882.280488 where: bonds (distance) C4'-P energy: -146.859 bonds (distance) P-C4' energy: -166.350 flat angles C4'-P-C4' energy: -190.981 flat angles P-C4'-P energy: -130.145 tors. eta vs tors. theta energy: -247.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -2914.774640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.774640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.774640 (E_RNA) where: Base-Base interactions energy: -2012.837 where: short stacking energy: -878.524 Base-Backbone interact. energy: 1.661 local terms energy: -903.598297 where: bonds (distance) C4'-P energy: -174.145 bonds (distance) P-C4' energy: -155.479 flat angles C4'-P-C4' energy: -196.015 flat angles P-C4'-P energy: -120.419 tors. eta vs tors. theta energy: -257.540 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -2841.548654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.548654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.548654 (E_RNA) where: Base-Base interactions energy: -1978.445 where: short stacking energy: -878.273 Base-Backbone interact. energy: -1.018 local terms energy: -862.085805 where: bonds (distance) C4'-P energy: -155.239 bonds (distance) P-C4' energy: -153.477 flat angles C4'-P-C4' energy: -190.061 flat angles P-C4'-P energy: -117.740 tors. eta vs tors. theta energy: -245.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2663.002400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.002400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.002400 (E_RNA) where: Base-Base interactions energy: -1837.270 where: short stacking energy: -810.491 Base-Backbone interact. energy: -3.230 local terms energy: -822.502286 where: bonds (distance) C4'-P energy: -158.865 bonds (distance) P-C4' energy: -149.540 flat angles C4'-P-C4' energy: -173.831 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -227.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2506.168372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.168372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.168372 (E_RNA) where: Base-Base interactions energy: -1714.959 where: short stacking energy: -738.514 Base-Backbone interact. energy: 0.123 local terms energy: -791.332018 where: bonds (distance) C4'-P energy: -151.335 bonds (distance) P-C4' energy: -147.791 flat angles C4'-P-C4' energy: -177.517 flat angles P-C4'-P energy: -118.613 tors. eta vs tors. theta energy: -196.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2388.800826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.800826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.800826 (E_RNA) where: Base-Base interactions energy: -1641.381 where: short stacking energy: -711.287 Base-Backbone interact. energy: -3.007 local terms energy: -744.412807 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -135.594 flat angles C4'-P-C4' energy: -159.171 flat angles P-C4'-P energy: -114.740 tors. eta vs tors. theta energy: -188.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2157.943224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.943224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.943224 (E_RNA) where: Base-Base interactions energy: -1470.839 where: short stacking energy: -636.956 Base-Backbone interact. energy: -3.798 local terms energy: -683.305434 where: bonds (distance) C4'-P energy: -150.975 bonds (distance) P-C4' energy: -149.861 flat angles C4'-P-C4' energy: -140.383 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -149.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1880.937902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.937902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.937902 (E_RNA) where: Base-Base interactions energy: -1262.139 where: short stacking energy: -542.899 Base-Backbone interact. energy: -1.570 local terms energy: -617.228664 where: bonds (distance) C4'-P energy: -143.761 bonds (distance) P-C4' energy: -124.371 flat angles C4'-P-C4' energy: -137.011 flat angles P-C4'-P energy: -101.781 tors. eta vs tors. theta energy: -110.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1433.141687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.141687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.141687 (E_RNA) where: Base-Base interactions energy: -891.826 where: short stacking energy: -415.588 Base-Backbone interact. energy: -3.247 local terms energy: -538.068215 where: bonds (distance) C4'-P energy: -132.609 bonds (distance) P-C4' energy: -134.329 flat angles C4'-P-C4' energy: -116.533 flat angles P-C4'-P energy: -84.637 tors. eta vs tors. theta energy: -69.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1045.435215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.435215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.435215 (E_RNA) where: Base-Base interactions energy: -592.743 where: short stacking energy: -313.343 Base-Backbone interact. energy: 3.036 local terms energy: -455.728219 where: bonds (distance) C4'-P energy: -124.085 bonds (distance) P-C4' energy: -124.175 flat angles C4'-P-C4' energy: -130.095 flat angles P-C4'-P energy: -73.154 tors. eta vs tors. theta energy: -4.219 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: 10 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3052.876989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.876989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.876989 (E_RNA) where: Base-Base interactions energy: -2150.230 where: short stacking energy: -892.756 Base-Backbone interact. energy: -4.024 local terms energy: -898.622885 where: bonds (distance) C4'-P energy: -171.766 bonds (distance) P-C4' energy: -163.318 flat angles C4'-P-C4' energy: -192.194 flat angles P-C4'-P energy: -126.307 tors. eta vs tors. theta energy: -245.038 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: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -2930.467451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.467451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.467451 (E_RNA) where: Base-Base interactions energy: -2036.224 where: short stacking energy: -883.738 Base-Backbone interact. energy: -0.817 local terms energy: -893.426752 where: bonds (distance) C4'-P energy: -160.112 bonds (distance) P-C4' energy: -148.664 flat angles C4'-P-C4' energy: -197.760 flat angles P-C4'-P energy: -126.680 tors. eta vs tors. theta energy: -260.212 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: 432 Temperature: 1.000000 Total energy: -2876.106961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.106961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.106961 (E_RNA) where: Base-Base interactions energy: -1972.547 where: short stacking energy: -893.418 Base-Backbone interact. energy: -3.047 local terms energy: -900.512943 where: bonds (distance) C4'-P energy: -155.464 bonds (distance) P-C4' energy: -173.108 flat angles C4'-P-C4' energy: -187.844 flat angles P-C4'-P energy: -122.696 tors. eta vs tors. theta energy: -261.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2643.588657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.588657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.588657 (E_RNA) where: Base-Base interactions energy: -1841.884 where: short stacking energy: -797.616 Base-Backbone interact. energy: -2.932 local terms energy: -798.772880 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -130.220 flat angles C4'-P-C4' energy: -175.376 flat angles P-C4'-P energy: -111.481 tors. eta vs tors. theta energy: -231.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2490.652595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.652595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.652595 (E_RNA) where: Base-Base interactions energy: -1727.634 where: short stacking energy: -725.385 Base-Backbone interact. energy: -5.603 local terms energy: -757.415588 where: bonds (distance) C4'-P energy: -143.539 bonds (distance) P-C4' energy: -138.853 flat angles C4'-P-C4' energy: -180.896 flat angles P-C4'-P energy: -102.281 tors. eta vs tors. theta energy: -191.845 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: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2413.134954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.134954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.134954 (E_RNA) where: Base-Base interactions energy: -1648.937 where: short stacking energy: -739.027 Base-Backbone interact. energy: -3.234 local terms energy: -760.963450 where: bonds (distance) C4'-P energy: -128.351 bonds (distance) P-C4' energy: -166.025 flat angles C4'-P-C4' energy: -162.439 flat angles P-C4'-P energy: -108.859 tors. eta vs tors. theta energy: -195.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2141.771782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.771782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.771782 (E_RNA) where: Base-Base interactions energy: -1455.227 where: short stacking energy: -601.116 Base-Backbone interact. energy: 4.806 local terms energy: -691.351047 where: bonds (distance) C4'-P energy: -146.674 bonds (distance) P-C4' energy: -154.462 flat angles C4'-P-C4' energy: -147.551 flat angles P-C4'-P energy: -91.962 tors. eta vs tors. theta energy: -150.702 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: 432 Temperature: 1.250000 Total energy: -1872.373426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.373426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.373426 (E_RNA) where: Base-Base interactions energy: -1231.217 where: short stacking energy: -541.612 Base-Backbone interact. energy: -0.328 local terms energy: -640.828201 where: bonds (distance) C4'-P energy: -128.890 bonds (distance) P-C4' energy: -141.732 flat angles C4'-P-C4' energy: -148.873 flat angles P-C4'-P energy: -93.005 tors. eta vs tors. theta energy: -128.328 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: 9 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1463.749646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.749646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.749646 (E_RNA) where: Base-Base interactions energy: -934.838 where: short stacking energy: -392.455 Base-Backbone interact. energy: -2.834 local terms energy: -526.078376 where: bonds (distance) C4'-P energy: -134.170 bonds (distance) P-C4' energy: -121.210 flat angles C4'-P-C4' energy: -139.573 flat angles P-C4'-P energy: -74.017 tors. eta vs tors. theta energy: -57.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1048.481036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.481036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.481036 (E_RNA) where: Base-Base interactions energy: -608.235 where: short stacking energy: -307.393 Base-Backbone interact. energy: 0.767 local terms energy: -441.012553 where: bonds (distance) C4'-P energy: -137.732 bonds (distance) P-C4' energy: -119.963 flat angles C4'-P-C4' energy: -86.646 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -21.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3077.805340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.805340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.805340 (E_RNA) where: Base-Base interactions energy: -2173.451 where: short stacking energy: -908.874 Base-Backbone interact. energy: -4.219 local terms energy: -900.135798 where: bonds (distance) C4'-P energy: -183.884 bonds (distance) P-C4' energy: -154.147 flat angles C4'-P-C4' energy: -185.270 flat angles P-C4'-P energy: -130.490 tors. eta vs tors. theta energy: -246.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -2950.985199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.985199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.985199 (E_RNA) where: Base-Base interactions energy: -2029.607 where: short stacking energy: -879.641 Base-Backbone interact. energy: -2.637 local terms energy: -918.740970 where: bonds (distance) C4'-P energy: -166.150 bonds (distance) P-C4' energy: -177.122 flat angles C4'-P-C4' energy: -194.191 flat angles P-C4'-P energy: -122.391 tors. eta vs tors. theta energy: -258.887 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: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -2815.966923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.966923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.966923 (E_RNA) where: Base-Base interactions energy: -1954.973 where: short stacking energy: -861.553 Base-Backbone interact. energy: -0.910 local terms energy: -860.084235 where: bonds (distance) C4'-P energy: -147.572 bonds (distance) P-C4' energy: -160.701 flat angles C4'-P-C4' energy: -178.682 flat angles P-C4'-P energy: -115.404 tors. eta vs tors. theta energy: -257.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2672.489456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.489456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.489456 (E_RNA) where: Base-Base interactions energy: -1831.560 where: short stacking energy: -813.657 Base-Backbone interact. energy: -2.275 local terms energy: -838.654237 where: bonds (distance) C4'-P energy: -144.026 bonds (distance) P-C4' energy: -156.290 flat angles C4'-P-C4' energy: -182.408 flat angles P-C4'-P energy: -125.909 tors. eta vs tors. theta energy: -230.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2501.615219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.615219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.615219 (E_RNA) where: Base-Base interactions energy: -1729.555 where: short stacking energy: -724.602 Base-Backbone interact. energy: 0.524 local terms energy: -772.583864 where: bonds (distance) C4'-P energy: -133.378 bonds (distance) P-C4' energy: -151.233 flat angles C4'-P-C4' energy: -175.745 flat angles P-C4'-P energy: -115.589 tors. eta vs tors. theta energy: -196.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2353.270381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.270381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.270381 (E_RNA) where: Base-Base interactions energy: -1609.059 where: short stacking energy: -684.590 Base-Backbone interact. energy: -0.996 local terms energy: -743.215371 where: bonds (distance) C4'-P energy: -124.561 bonds (distance) P-C4' energy: -160.196 flat angles C4'-P-C4' energy: -160.057 flat angles P-C4'-P energy: -107.527 tors. eta vs tors. theta energy: -190.873 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: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2171.613205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.613205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.613205 (E_RNA) where: Base-Base interactions energy: -1451.673 where: short stacking energy: -637.073 Base-Backbone interact. energy: -4.381 local terms energy: -715.559443 where: bonds (distance) C4'-P energy: -138.238 bonds (distance) P-C4' energy: -168.514 flat angles C4'-P-C4' energy: -171.155 flat angles P-C4'-P energy: -88.153 tors. eta vs tors. theta energy: -149.500 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: 433 Temperature: 1.250000 Total energy: -1830.576910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.576910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.576910 (E_RNA) where: Base-Base interactions energy: -1231.299 where: short stacking energy: -532.448 Base-Backbone interact. energy: 0.860 local terms energy: -600.138037 where: bonds (distance) C4'-P energy: -137.191 bonds (distance) P-C4' energy: -133.661 flat angles C4'-P-C4' energy: -151.001 flat angles P-C4'-P energy: -68.019 tors. eta vs tors. theta energy: -110.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1538.109253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.109253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.109253 (E_RNA) where: Base-Base interactions energy: -1010.009 where: short stacking energy: -446.297 Base-Backbone interact. energy: 4.455 local terms energy: -532.554413 where: bonds (distance) C4'-P energy: -123.232 bonds (distance) P-C4' energy: -125.783 flat angles C4'-P-C4' energy: -133.842 flat angles P-C4'-P energy: -83.733 tors. eta vs tors. theta energy: -65.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1052.411514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.411514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.411514 (E_RNA) where: Base-Base interactions energy: -577.895 where: short stacking energy: -285.830 Base-Backbone interact. energy: -0.779 local terms energy: -473.737483 where: bonds (distance) C4'-P energy: -111.438 bonds (distance) P-C4' energy: -147.913 flat angles C4'-P-C4' energy: -125.959 flat angles P-C4'-P energy: -83.043 tors. eta vs tors. theta energy: -5.385 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: 1, replica: 10 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3086.016995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.016995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.016995 (E_RNA) where: Base-Base interactions energy: -2168.185 where: short stacking energy: -889.121 Base-Backbone interact. energy: -2.821 local terms energy: -915.010569 where: bonds (distance) C4'-P energy: -152.148 bonds (distance) P-C4' energy: -174.159 flat angles C4'-P-C4' energy: -190.751 flat angles P-C4'-P energy: -146.924 tors. eta vs tors. theta energy: -251.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -2890.384988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.384988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.384988 (E_RNA) where: Base-Base interactions energy: -1998.102 where: short stacking energy: -861.271 Base-Backbone interact. energy: -3.118 local terms energy: -889.164934 where: bonds (distance) C4'-P energy: -162.575 bonds (distance) P-C4' energy: -173.843 flat angles C4'-P-C4' energy: -174.615 flat angles P-C4'-P energy: -120.803 tors. eta vs tors. theta energy: -257.329 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: 434 Temperature: 1.000000 Total energy: -2846.652843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.652843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.652843 (E_RNA) where: Base-Base interactions energy: -1984.317 where: short stacking energy: -859.090 Base-Backbone interact. energy: -3.256 local terms energy: -859.079318 where: bonds (distance) C4'-P energy: -155.620 bonds (distance) P-C4' energy: -150.738 flat angles C4'-P-C4' energy: -181.827 flat angles P-C4'-P energy: -130.529 tors. eta vs tors. theta energy: -240.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2706.888208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.888208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.888208 (E_RNA) where: Base-Base interactions energy: -1881.150 where: short stacking energy: -830.571 Base-Backbone interact. energy: 0.708 local terms energy: -826.446609 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -170.179 flat angles C4'-P-C4' energy: -175.970 flat angles P-C4'-P energy: -101.685 tors. eta vs tors. theta energy: -245.970 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: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2481.694963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.694963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.694963 (E_RNA) where: Base-Base interactions energy: -1717.040 where: short stacking energy: -746.875 Base-Backbone interact. energy: -4.049 local terms energy: -760.605628 where: bonds (distance) C4'-P energy: -142.854 bonds (distance) P-C4' energy: -155.220 flat angles C4'-P-C4' energy: -172.484 flat angles P-C4'-P energy: -98.221 tors. eta vs tors. theta energy: -191.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2349.175655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.175655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.175655 (E_RNA) where: Base-Base interactions energy: -1613.010 where: short stacking energy: -684.409 Base-Backbone interact. energy: 1.982 local terms energy: -738.146861 where: bonds (distance) C4'-P energy: -118.339 bonds (distance) P-C4' energy: -141.944 flat angles C4'-P-C4' energy: -178.269 flat angles P-C4'-P energy: -110.171 tors. eta vs tors. theta energy: -189.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2091.271531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.271531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.271531 (E_RNA) where: Base-Base interactions energy: -1446.921 where: short stacking energy: -608.895 Base-Backbone interact. energy: 0.830 local terms energy: -645.180218 where: bonds (distance) C4'-P energy: -126.923 bonds (distance) P-C4' energy: -136.019 flat angles C4'-P-C4' energy: -149.341 flat angles P-C4'-P energy: -79.135 tors. eta vs tors. theta energy: -153.762 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: 434 Temperature: 1.250000 Total energy: -1796.686093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.686093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.686093 (E_RNA) where: Base-Base interactions energy: -1200.395 where: short stacking energy: -530.163 Base-Backbone interact. energy: -1.237 local terms energy: -595.054169 where: bonds (distance) C4'-P energy: -135.106 bonds (distance) P-C4' energy: -129.935 flat angles C4'-P-C4' energy: -138.290 flat angles P-C4'-P energy: -83.840 tors. eta vs tors. theta energy: -107.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1465.714158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.714158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.714158 (E_RNA) where: Base-Base interactions energy: -918.127 where: short stacking energy: -399.333 Base-Backbone interact. energy: -3.828 local terms energy: -543.759657 where: bonds (distance) C4'-P energy: -142.004 bonds (distance) P-C4' energy: -128.979 flat angles C4'-P-C4' energy: -143.256 flat angles P-C4'-P energy: -73.201 tors. eta vs tors. theta energy: -56.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1081.129452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.129452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.129452 (E_RNA) where: Base-Base interactions energy: -607.029 where: short stacking energy: -328.336 Base-Backbone interact. energy: 1.872 local terms energy: -475.972327 where: bonds (distance) C4'-P energy: -120.778 bonds (distance) P-C4' energy: -132.965 flat angles C4'-P-C4' energy: -123.538 flat angles P-C4'-P energy: -81.450 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: 10 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3095.431882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.431882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.431882 (E_RNA) where: Base-Base interactions energy: -2170.467 where: short stacking energy: -887.169 Base-Backbone interact. energy: 0.241 local terms energy: -925.206285 where: bonds (distance) C4'-P energy: -169.101 bonds (distance) P-C4' energy: -168.649 flat angles C4'-P-C4' energy: -201.746 flat angles P-C4'-P energy: -130.189 tors. eta vs tors. theta energy: -255.522 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: 435 Temperature: 0.950000 Total energy: -2906.194122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.194122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.194122 (E_RNA) where: Base-Base interactions energy: -2015.237 where: short stacking energy: -875.346 Base-Backbone interact. energy: -0.786 local terms energy: -890.170570 where: bonds (distance) C4'-P energy: -158.033 bonds (distance) P-C4' energy: -155.386 flat angles C4'-P-C4' energy: -185.079 flat angles P-C4'-P energy: -142.698 tors. eta vs tors. theta energy: -248.975 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: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -2827.005694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.005694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.005694 (E_RNA) where: Base-Base interactions energy: -1997.209 where: short stacking energy: -866.035 Base-Backbone interact. energy: -2.167 local terms energy: -827.629761 where: bonds (distance) C4'-P energy: -145.114 bonds (distance) P-C4' energy: -154.919 flat angles C4'-P-C4' energy: -170.472 flat angles P-C4'-P energy: -106.054 tors. eta vs tors. theta energy: -251.071 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: 5 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2673.864133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.864133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.864133 (E_RNA) where: Base-Base interactions energy: -1848.019 where: short stacking energy: -788.404 Base-Backbone interact. energy: -3.918 local terms energy: -821.927015 where: bonds (distance) C4'-P energy: -159.507 bonds (distance) P-C4' energy: -154.831 flat angles C4'-P-C4' energy: -170.389 flat angles P-C4'-P energy: -105.897 tors. eta vs tors. theta energy: -231.303 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: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2515.993411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.993411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.993411 (E_RNA) where: Base-Base interactions energy: -1751.669 where: short stacking energy: -767.236 Base-Backbone interact. energy: 0.637 local terms energy: -764.961106 where: bonds (distance) C4'-P energy: -116.628 bonds (distance) P-C4' energy: -139.148 flat angles C4'-P-C4' energy: -174.853 flat angles P-C4'-P energy: -122.883 tors. eta vs tors. theta energy: -211.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2324.284478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.284478 (E_RNA) where: Base-Base interactions energy: -1575.728 where: short stacking energy: -670.463 Base-Backbone interact. energy: -3.932 local terms energy: -744.624334 where: bonds (distance) C4'-P energy: -138.791 bonds (distance) P-C4' energy: -142.408 flat angles C4'-P-C4' energy: -172.905 flat angles P-C4'-P energy: -107.725 tors. eta vs tors. theta energy: -182.795 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: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2122.773390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.773390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.773390 (E_RNA) where: Base-Base interactions energy: -1460.319 where: short stacking energy: -612.724 Base-Backbone interact. energy: -3.972 local terms energy: -658.482094 where: bonds (distance) C4'-P energy: -148.725 bonds (distance) P-C4' energy: -132.224 flat angles C4'-P-C4' energy: -142.271 flat angles P-C4'-P energy: -84.184 tors. eta vs tors. theta energy: -151.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1753.125642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.125642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.125642 (E_RNA) where: Base-Base interactions energy: -1152.965 where: short stacking energy: -517.772 Base-Backbone interact. energy: 1.951 local terms energy: -602.111603 where: bonds (distance) C4'-P energy: -144.950 bonds (distance) P-C4' energy: -147.288 flat angles C4'-P-C4' energy: -134.366 flat angles P-C4'-P energy: -63.681 tors. eta vs tors. theta energy: -111.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1500.289963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.289963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.289963 (E_RNA) where: Base-Base interactions energy: -956.863 where: short stacking energy: -444.897 Base-Backbone interact. energy: 3.111 local terms energy: -546.538048 where: bonds (distance) C4'-P energy: -143.003 bonds (distance) P-C4' energy: -139.083 flat angles C4'-P-C4' energy: -127.360 flat angles P-C4'-P energy: -80.346 tors. eta vs tors. theta energy: -56.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1118.688436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.688436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.688436 (E_RNA) where: Base-Base interactions energy: -644.695 where: short stacking energy: -315.328 Base-Backbone interact. energy: 12.712 local terms energy: -486.705327 where: bonds (distance) C4'-P energy: -127.951 bonds (distance) P-C4' energy: -146.236 flat angles C4'-P-C4' energy: -119.467 flat angles P-C4'-P energy: -66.315 tors. eta vs tors. theta energy: -26.736 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: 10 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3085.635024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.635024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.635024 (E_RNA) where: Base-Base interactions energy: -2208.558 where: short stacking energy: -907.461 Base-Backbone interact. energy: 3.088 local terms energy: -880.165424 where: bonds (distance) C4'-P energy: -153.642 bonds (distance) P-C4' energy: -159.577 flat angles C4'-P-C4' energy: -188.128 flat angles P-C4'-P energy: -125.987 tors. eta vs tors. theta energy: -252.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -2862.627065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.627065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.627065 (E_RNA) where: Base-Base interactions energy: -1990.407 where: short stacking energy: -851.228 Base-Backbone interact. energy: -3.166 local terms energy: -869.054369 where: bonds (distance) C4'-P energy: -155.741 bonds (distance) P-C4' energy: -170.281 flat angles C4'-P-C4' energy: -187.915 flat angles P-C4'-P energy: -107.665 tors. eta vs tors. theta energy: -247.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2832.290709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.290709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.290709 (E_RNA) where: Base-Base interactions energy: -1983.915 where: short stacking energy: -877.275 Base-Backbone interact. energy: -2.231 local terms energy: -846.144515 where: bonds (distance) C4'-P energy: -137.799 bonds (distance) P-C4' energy: -154.523 flat angles C4'-P-C4' energy: -169.146 flat angles P-C4'-P energy: -126.098 tors. eta vs tors. theta energy: -258.579 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: 5 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2680.996137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.996137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.996137 (E_RNA) where: Base-Base interactions energy: -1861.367 where: short stacking energy: -804.302 Base-Backbone interact. energy: -1.413 local terms energy: -818.215976 where: bonds (distance) C4'-P energy: -144.526 bonds (distance) P-C4' energy: -147.298 flat angles C4'-P-C4' energy: -174.595 flat angles P-C4'-P energy: -116.354 tors. eta vs tors. theta energy: -235.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2471.247457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.247457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.247457 (E_RNA) where: Base-Base interactions energy: -1687.599 where: short stacking energy: -726.357 Base-Backbone interact. energy: -4.995 local terms energy: -778.653479 where: bonds (distance) C4'-P energy: -134.713 bonds (distance) P-C4' energy: -158.434 flat angles C4'-P-C4' energy: -176.044 flat angles P-C4'-P energy: -120.196 tors. eta vs tors. theta energy: -189.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2354.124328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.124328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.124328 (E_RNA) where: Base-Base interactions energy: -1606.827 where: short stacking energy: -726.439 Base-Backbone interact. energy: 0.951 local terms energy: -748.248553 where: bonds (distance) C4'-P energy: -136.317 bonds (distance) P-C4' energy: -145.773 flat angles C4'-P-C4' energy: -170.156 flat angles P-C4'-P energy: -99.243 tors. eta vs tors. theta energy: -196.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2076.866319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.866319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.866319 (E_RNA) where: Base-Base interactions energy: -1393.546 where: short stacking energy: -611.589 Base-Backbone interact. energy: -0.918 local terms energy: -682.402373 where: bonds (distance) C4'-P energy: -115.371 bonds (distance) P-C4' energy: -154.908 flat angles C4'-P-C4' energy: -163.663 flat angles P-C4'-P energy: -87.720 tors. eta vs tors. theta energy: -160.740 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: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1765.533828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.533828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.533828 (E_RNA) where: Base-Base interactions energy: -1157.931 where: short stacking energy: -504.915 Base-Backbone interact. energy: 3.484 local terms energy: -611.087337 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -148.626 flat angles C4'-P-C4' energy: -146.697 flat angles P-C4'-P energy: -61.015 tors. eta vs tors. theta energy: -122.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1422.521797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.521797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.521797 (E_RNA) where: Base-Base interactions energy: -882.983 where: short stacking energy: -408.949 Base-Backbone interact. energy: -1.607 local terms energy: -537.931897 where: bonds (distance) C4'-P energy: -123.920 bonds (distance) P-C4' energy: -135.364 flat angles C4'-P-C4' energy: -127.724 flat angles P-C4'-P energy: -82.454 tors. eta vs tors. theta energy: -68.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1114.701900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.701900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.701900 (E_RNA) where: Base-Base interactions energy: -623.062 where: short stacking energy: -337.137 Base-Backbone interact. energy: 6.104 local terms energy: -497.744039 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -148.597 flat angles C4'-P-C4' energy: -117.762 flat angles P-C4'-P energy: -62.260 tors. eta vs tors. theta energy: -33.770 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: 10 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3101.815417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.815417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.815417 (E_RNA) where: Base-Base interactions energy: -2187.155 where: short stacking energy: -905.553 Base-Backbone interact. energy: -1.068 local terms energy: -913.592520 where: bonds (distance) C4'-P energy: -165.952 bonds (distance) P-C4' energy: -174.078 flat angles C4'-P-C4' energy: -184.832 flat angles P-C4'-P energy: -133.269 tors. eta vs tors. theta energy: -255.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -2903.202764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.202764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.202764 (E_RNA) where: Base-Base interactions energy: -2016.434 where: short stacking energy: -883.573 Base-Backbone interact. energy: 0.695 local terms energy: -887.464177 where: bonds (distance) C4'-P energy: -147.098 bonds (distance) P-C4' energy: -180.285 flat angles C4'-P-C4' energy: -191.840 flat angles P-C4'-P energy: -124.539 tors. eta vs tors. theta energy: -243.703 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: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2847.206177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.206177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.206177 (E_RNA) where: Base-Base interactions energy: -1983.282 where: short stacking energy: -839.834 Base-Backbone interact. energy: 4.069 local terms energy: -867.993302 where: bonds (distance) C4'-P energy: -154.781 bonds (distance) P-C4' energy: -167.254 flat angles C4'-P-C4' energy: -186.236 flat angles P-C4'-P energy: -116.015 tors. eta vs tors. theta energy: -243.707 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: 5 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2671.478932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.478932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.478932 (E_RNA) where: Base-Base interactions energy: -1819.546 where: short stacking energy: -824.904 Base-Backbone interact. energy: 0.917 local terms energy: -852.849439 where: bonds (distance) C4'-P energy: -143.305 bonds (distance) P-C4' energy: -170.939 flat angles C4'-P-C4' energy: -177.244 flat angles P-C4'-P energy: -125.461 tors. eta vs tors. theta energy: -235.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2461.112143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.112143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.112143 (E_RNA) where: Base-Base interactions energy: -1702.414 where: short stacking energy: -744.361 Base-Backbone interact. energy: -0.823 local terms energy: -757.875077 where: bonds (distance) C4'-P energy: -149.912 bonds (distance) P-C4' energy: -154.408 flat angles C4'-P-C4' energy: -151.532 flat angles P-C4'-P energy: -99.678 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: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2368.003733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.003733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.003733 (E_RNA) where: Base-Base interactions energy: -1620.305 where: short stacking energy: -716.266 Base-Backbone interact. energy: -3.350 local terms energy: -744.348499 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -145.969 flat angles C4'-P-C4' energy: -174.780 flat angles P-C4'-P energy: -84.664 tors. eta vs tors. theta energy: -196.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2082.566512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.566512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.566512 (E_RNA) where: Base-Base interactions energy: -1430.622 where: short stacking energy: -602.185 Base-Backbone interact. energy: 1.859 local terms energy: -653.803702 where: bonds (distance) C4'-P energy: -117.972 bonds (distance) P-C4' energy: -140.115 flat angles C4'-P-C4' energy: -156.872 flat angles P-C4'-P energy: -100.712 tors. eta vs tors. theta energy: -138.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1773.273346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.273346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.273346 (E_RNA) where: Base-Base interactions energy: -1182.230 where: short stacking energy: -508.157 Base-Backbone interact. energy: -3.813 local terms energy: -587.230195 where: bonds (distance) C4'-P energy: -128.828 bonds (distance) P-C4' energy: -134.546 flat angles C4'-P-C4' energy: -145.360 flat angles P-C4'-P energy: -85.432 tors. eta vs tors. theta energy: -93.065 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: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1445.177453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.177453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.177453 (E_RNA) where: Base-Base interactions energy: -898.142 where: short stacking energy: -425.912 Base-Backbone interact. energy: 1.800 local terms energy: -548.835123 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -126.826 flat angles C4'-P-C4' energy: -143.369 flat angles P-C4'-P energy: -81.044 tors. eta vs tors. theta energy: -75.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1084.323241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.323241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.323241 (E_RNA) where: Base-Base interactions energy: -614.104 where: short stacking energy: -315.487 Base-Backbone interact. energy: 5.165 local terms energy: -475.384038 where: bonds (distance) C4'-P energy: -122.763 bonds (distance) P-C4' energy: -130.775 flat angles C4'-P-C4' energy: -126.109 flat angles P-C4'-P energy: -68.989 tors. eta vs tors. theta energy: -26.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3107.137157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.137157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.137157 (E_RNA) where: Base-Base interactions energy: -2198.797 where: short stacking energy: -889.913 Base-Backbone interact. energy: -0.417 local terms energy: -907.922740 where: bonds (distance) C4'-P energy: -171.783 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -184.081 flat angles P-C4'-P energy: -129.048 tors. eta vs tors. theta energy: -255.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -2854.397686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.397686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.397686 (E_RNA) where: Base-Base interactions energy: -2003.686 where: short stacking energy: -877.376 Base-Backbone interact. energy: -1.577 local terms energy: -849.134715 where: bonds (distance) C4'-P energy: -154.050 bonds (distance) P-C4' energy: -140.214 flat angles C4'-P-C4' energy: -184.665 flat angles P-C4'-P energy: -114.968 tors. eta vs tors. theta energy: -255.237 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: 3, replica: 1 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2847.253006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.253006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.253006 (E_RNA) where: Base-Base interactions energy: -2008.420 where: short stacking energy: -862.391 Base-Backbone interact. energy: 3.064 local terms energy: -841.896754 where: bonds (distance) C4'-P energy: -143.827 bonds (distance) P-C4' energy: -155.753 flat angles C4'-P-C4' energy: -188.674 flat angles P-C4'-P energy: -117.487 tors. eta vs tors. theta energy: -236.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2713.630052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.630052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.630052 (E_RNA) where: Base-Base interactions energy: -1867.470 where: short stacking energy: -800.353 Base-Backbone interact. energy: 1.445 local terms energy: -847.604981 where: bonds (distance) C4'-P energy: -140.420 bonds (distance) P-C4' energy: -167.256 flat angles C4'-P-C4' energy: -178.742 flat angles P-C4'-P energy: -128.390 tors. eta vs tors. theta energy: -232.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2507.814476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.814476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.814476 (E_RNA) where: Base-Base interactions energy: -1716.910 where: short stacking energy: -776.620 Base-Backbone interact. energy: -2.524 local terms energy: -788.380615 where: bonds (distance) C4'-P energy: -149.868 bonds (distance) P-C4' energy: -157.975 flat angles C4'-P-C4' energy: -177.722 flat angles P-C4'-P energy: -87.270 tors. eta vs tors. theta energy: -215.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2362.110268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.110268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.110268 (E_RNA) where: Base-Base interactions energy: -1617.884 where: short stacking energy: -703.301 Base-Backbone interact. energy: -3.082 local terms energy: -741.144066 where: bonds (distance) C4'-P energy: -145.275 bonds (distance) P-C4' energy: -156.368 flat angles C4'-P-C4' energy: -151.302 flat angles P-C4'-P energy: -99.766 tors. eta vs tors. theta energy: -188.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2083.855672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.855672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.855672 (E_RNA) where: Base-Base interactions energy: -1413.370 where: short stacking energy: -608.550 Base-Backbone interact. energy: -5.176 local terms energy: -665.309630 where: bonds (distance) C4'-P energy: -115.567 bonds (distance) P-C4' energy: -147.531 flat angles C4'-P-C4' energy: -157.305 flat angles P-C4'-P energy: -96.794 tors. eta vs tors. theta energy: -148.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1796.723318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.723318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.723318 (E_RNA) where: Base-Base interactions energy: -1177.237 where: short stacking energy: -536.362 Base-Backbone interact. energy: -1.887 local terms energy: -617.600195 where: bonds (distance) C4'-P energy: -147.896 bonds (distance) P-C4' energy: -139.932 flat angles C4'-P-C4' energy: -144.938 flat angles P-C4'-P energy: -66.794 tors. eta vs tors. theta energy: -118.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1405.249406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.249406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.249406 (E_RNA) where: Base-Base interactions energy: -852.671 where: short stacking energy: -391.757 Base-Backbone interact. energy: -2.453 local terms energy: -550.125872 where: bonds (distance) C4'-P energy: -135.885 bonds (distance) P-C4' energy: -133.403 flat angles C4'-P-C4' energy: -122.573 flat angles P-C4'-P energy: -94.292 tors. eta vs tors. theta energy: -63.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1086.732049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.732049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.732049 (E_RNA) where: Base-Base interactions energy: -632.672 where: short stacking energy: -322.577 Base-Backbone interact. energy: 4.426 local terms energy: -458.485516 where: bonds (distance) C4'-P energy: -97.841 bonds (distance) P-C4' energy: -125.496 flat angles C4'-P-C4' energy: -113.108 flat angles P-C4'-P energy: -95.798 tors. eta vs tors. theta energy: -26.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3096.544651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.544651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.544651 (E_RNA) where: Base-Base interactions energy: -2212.897 where: short stacking energy: -896.328 Base-Backbone interact. energy: -3.369 local terms energy: -880.278779 where: bonds (distance) C4'-P energy: -153.634 bonds (distance) P-C4' energy: -178.239 flat angles C4'-P-C4' energy: -176.355 flat angles P-C4'-P energy: -129.061 tors. eta vs tors. theta energy: -242.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -2845.832038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.832038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.832038 (E_RNA) where: Base-Base interactions energy: -1946.772 where: short stacking energy: -841.126 Base-Backbone interact. energy: -3.260 local terms energy: -895.800916 where: bonds (distance) C4'-P energy: -164.190 bonds (distance) P-C4' energy: -176.523 flat angles C4'-P-C4' energy: -173.916 flat angles P-C4'-P energy: -130.402 tors. eta vs tors. theta energy: -250.769 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: 1 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2832.923908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.923908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.923908 (E_RNA) where: Base-Base interactions energy: -1972.871 where: short stacking energy: -840.258 Base-Backbone interact. energy: -3.164 local terms energy: -856.889607 where: bonds (distance) C4'-P energy: -150.308 bonds (distance) P-C4' energy: -145.022 flat angles C4'-P-C4' energy: -184.182 flat angles P-C4'-P energy: -130.426 tors. eta vs tors. theta energy: -246.951 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: 5 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2704.381751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.381751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.381751 (E_RNA) where: Base-Base interactions energy: -1888.361 where: short stacking energy: -813.093 Base-Backbone interact. energy: -1.465 local terms energy: -814.555629 where: bonds (distance) C4'-P energy: -145.717 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -171.149 flat angles P-C4'-P energy: -118.532 tors. eta vs tors. theta energy: -217.996 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: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2466.643270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.643270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.643270 (E_RNA) where: Base-Base interactions energy: -1699.059 where: short stacking energy: -718.131 Base-Backbone interact. energy: -2.111 local terms energy: -765.473087 where: bonds (distance) C4'-P energy: -154.834 bonds (distance) P-C4' energy: -142.148 flat angles C4'-P-C4' energy: -175.418 flat angles P-C4'-P energy: -103.923 tors. eta vs tors. theta energy: -189.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2403.015405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.015405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.015405 (E_RNA) where: Base-Base interactions energy: -1678.316 where: short stacking energy: -761.796 Base-Backbone interact. energy: -0.978 local terms energy: -723.721454 where: bonds (distance) C4'-P energy: -131.211 bonds (distance) P-C4' energy: -135.161 flat angles C4'-P-C4' energy: -161.984 flat angles P-C4'-P energy: -100.590 tors. eta vs tors. theta energy: -194.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2048.334786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.334786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.334786 (E_RNA) where: Base-Base interactions energy: -1401.404 where: short stacking energy: -581.851 Base-Backbone interact. energy: 0.809 local terms energy: -647.739377 where: bonds (distance) C4'-P energy: -151.619 bonds (distance) P-C4' energy: -148.534 flat angles C4'-P-C4' energy: -136.732 flat angles P-C4'-P energy: -89.439 tors. eta vs tors. theta energy: -121.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1842.237843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.237843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.237843 (E_RNA) where: Base-Base interactions energy: -1209.448 where: short stacking energy: -552.220 Base-Backbone interact. energy: 4.962 local terms energy: -637.751297 where: bonds (distance) C4'-P energy: -114.408 bonds (distance) P-C4' energy: -135.940 flat angles C4'-P-C4' energy: -168.815 flat angles P-C4'-P energy: -94.421 tors. eta vs tors. theta energy: -124.168 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: 9 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1294.866798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.866798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.866798 (E_RNA) where: Base-Base interactions energy: -744.039 where: short stacking energy: -337.646 Base-Backbone interact. energy: 0.033 local terms energy: -550.860674 where: bonds (distance) C4'-P energy: -127.590 bonds (distance) P-C4' energy: -159.865 flat angles C4'-P-C4' energy: -130.646 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -47.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1139.278671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.278671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.278671 (E_RNA) where: Base-Base interactions energy: -673.746 where: short stacking energy: -345.851 Base-Backbone interact. energy: 3.287 local terms energy: -468.819475 where: bonds (distance) C4'-P energy: -122.413 bonds (distance) P-C4' energy: -111.732 flat angles C4'-P-C4' energy: -131.706 flat angles P-C4'-P energy: -65.214 tors. eta vs tors. theta energy: -37.754 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: 10 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3082.461869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.461869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.461869 (E_RNA) where: Base-Base interactions energy: -2170.737 where: short stacking energy: -877.144 Base-Backbone interact. energy: -1.268 local terms energy: -910.456725 where: bonds (distance) C4'-P energy: -174.630 bonds (distance) P-C4' energy: -174.169 flat angles C4'-P-C4' energy: -196.776 flat angles P-C4'-P energy: -113.185 tors. eta vs tors. theta energy: -251.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -2828.370470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.370470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.370470 (E_RNA) where: Base-Base interactions energy: -1956.591 where: short stacking energy: -865.076 Base-Backbone interact. energy: -1.471 local terms energy: -870.308869 where: bonds (distance) C4'-P energy: -171.245 bonds (distance) P-C4' energy: -154.124 flat angles C4'-P-C4' energy: -187.849 flat angles P-C4'-P energy: -117.656 tors. eta vs tors. theta energy: -239.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -2846.617104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.617104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.617104 (E_RNA) where: Base-Base interactions energy: -1993.163 where: short stacking energy: -852.327 Base-Backbone interact. energy: -0.373 local terms energy: -853.080609 where: bonds (distance) C4'-P energy: -162.096 bonds (distance) P-C4' energy: -140.994 flat angles C4'-P-C4' energy: -179.472 flat angles P-C4'-P energy: -124.647 tors. eta vs tors. theta energy: -245.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2690.485561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.485561 (E_RNA) where: Base-Base interactions energy: -1846.867 where: short stacking energy: -813.044 Base-Backbone interact. energy: -1.827 local terms energy: -841.791126 where: bonds (distance) C4'-P energy: -153.809 bonds (distance) P-C4' energy: -151.488 flat angles C4'-P-C4' energy: -178.149 flat angles P-C4'-P energy: -130.166 tors. eta vs tors. theta energy: -228.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2475.068444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.068444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.068444 (E_RNA) where: Base-Base interactions energy: -1710.434 where: short stacking energy: -744.504 Base-Backbone interact. energy: 3.064 local terms energy: -767.698431 where: bonds (distance) C4'-P energy: -136.419 bonds (distance) P-C4' energy: -128.945 flat angles C4'-P-C4' energy: -179.221 flat angles P-C4'-P energy: -130.073 tors. eta vs tors. theta energy: -193.041 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: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2414.906143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.906143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.906143 (E_RNA) where: Base-Base interactions energy: -1664.451 where: short stacking energy: -694.049 Base-Backbone interact. energy: -2.535 local terms energy: -747.919883 where: bonds (distance) C4'-P energy: -147.535 bonds (distance) P-C4' energy: -140.364 flat angles C4'-P-C4' energy: -159.517 flat angles P-C4'-P energy: -105.717 tors. eta vs tors. theta energy: -194.787 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: 440 Temperature: 1.200000 Total energy: -2078.226632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.226632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.226632 (E_RNA) where: Base-Base interactions energy: -1424.346 where: short stacking energy: -594.570 Base-Backbone interact. energy: 3.465 local terms energy: -657.345497 where: bonds (distance) C4'-P energy: -126.077 bonds (distance) P-C4' energy: -133.144 flat angles C4'-P-C4' energy: -165.180 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -135.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1832.122395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.122395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.122395 (E_RNA) where: Base-Base interactions energy: -1197.075 where: short stacking energy: -536.951 Base-Backbone interact. energy: 3.279 local terms energy: -638.326379 where: bonds (distance) C4'-P energy: -150.117 bonds (distance) P-C4' energy: -149.327 flat angles C4'-P-C4' energy: -150.325 flat angles P-C4'-P energy: -81.828 tors. eta vs tors. theta energy: -106.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1278.854166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.854166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.854166 (E_RNA) where: Base-Base interactions energy: -774.141 where: short stacking energy: -373.225 Base-Backbone interact. energy: 6.625 local terms energy: -511.338194 where: bonds (distance) C4'-P energy: -118.592 bonds (distance) P-C4' energy: -133.724 flat angles C4'-P-C4' energy: -143.500 flat angles P-C4'-P energy: -79.873 tors. eta vs tors. theta energy: -35.649 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: 4 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1220.828943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.828943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.828943 (E_RNA) where: Base-Base interactions energy: -736.103 where: short stacking energy: -337.240 Base-Backbone interact. energy: 0.127 local terms energy: -484.852808 where: bonds (distance) C4'-P energy: -133.086 bonds (distance) P-C4' energy: -134.163 flat angles C4'-P-C4' energy: -130.098 flat angles P-C4'-P energy: -69.406 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3105.679603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.679603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.679603 (E_RNA) where: Base-Base interactions energy: -2210.080 where: short stacking energy: -889.456 Base-Backbone interact. energy: -4.641 local terms energy: -890.958681 where: bonds (distance) C4'-P energy: -163.930 bonds (distance) P-C4' energy: -157.763 flat angles C4'-P-C4' energy: -192.612 flat angles P-C4'-P energy: -124.374 tors. eta vs tors. theta energy: -252.280 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: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -2864.137677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.137677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.137677 (E_RNA) where: Base-Base interactions energy: -2003.481 where: short stacking energy: -863.633 Base-Backbone interact. energy: -2.344 local terms energy: -858.312165 where: bonds (distance) C4'-P energy: -159.502 bonds (distance) P-C4' energy: -146.834 flat angles C4'-P-C4' energy: -177.902 flat angles P-C4'-P energy: -118.830 tors. eta vs tors. theta energy: -255.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -2825.685156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.685156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.685156 (E_RNA) where: Base-Base interactions energy: -1991.210 where: short stacking energy: -855.390 Base-Backbone interact. energy: 3.748 local terms energy: -838.223718 where: bonds (distance) C4'-P energy: -145.371 bonds (distance) P-C4' energy: -166.518 flat angles C4'-P-C4' energy: -167.920 flat angles P-C4'-P energy: -120.893 tors. eta vs tors. theta energy: -237.521 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: 5 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2662.010672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.010672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.010672 (E_RNA) where: Base-Base interactions energy: -1854.958 where: short stacking energy: -806.586 Base-Backbone interact. energy: -2.587 local terms energy: -804.465487 where: bonds (distance) C4'-P energy: -127.084 bonds (distance) P-C4' energy: -151.394 flat angles C4'-P-C4' energy: -181.856 flat angles P-C4'-P energy: -110.700 tors. eta vs tors. theta energy: -233.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2444.284048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.284048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.284048 (E_RNA) where: Base-Base interactions energy: -1659.058 where: short stacking energy: -761.123 Base-Backbone interact. energy: -3.877 local terms energy: -781.349292 where: bonds (distance) C4'-P energy: -145.214 bonds (distance) P-C4' energy: -156.263 flat angles C4'-P-C4' energy: -162.740 flat angles P-C4'-P energy: -101.486 tors. eta vs tors. theta energy: -215.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2417.089620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.089620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.089620 (E_RNA) where: Base-Base interactions energy: -1673.106 where: short stacking energy: -713.065 Base-Backbone interact. energy: -0.629 local terms energy: -743.353926 where: bonds (distance) C4'-P energy: -134.131 bonds (distance) P-C4' energy: -144.105 flat angles C4'-P-C4' energy: -164.094 flat angles P-C4'-P energy: -121.894 tors. eta vs tors. theta energy: -179.130 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: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2025.371845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.371845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.371845 (E_RNA) where: Base-Base interactions energy: -1394.381 where: short stacking energy: -574.772 Base-Backbone interact. energy: 0.499 local terms energy: -631.489661 where: bonds (distance) C4'-P energy: -134.772 bonds (distance) P-C4' energy: -153.404 flat angles C4'-P-C4' energy: -140.098 flat angles P-C4'-P energy: -87.482 tors. eta vs tors. theta energy: -115.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1790.022321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.022321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.022321 (E_RNA) where: Base-Base interactions energy: -1186.485 where: short stacking energy: -527.967 Base-Backbone interact. energy: 1.004 local terms energy: -604.541272 where: bonds (distance) C4'-P energy: -123.270 bonds (distance) P-C4' energy: -140.606 flat angles C4'-P-C4' energy: -148.594 flat angles P-C4'-P energy: -87.000 tors. eta vs tors. theta energy: -105.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1397.403504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.403504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.403504 (E_RNA) where: Base-Base interactions energy: -847.262 where: short stacking energy: -403.849 Base-Backbone interact. energy: 0.357 local terms energy: -550.499001 where: bonds (distance) C4'-P energy: -129.656 bonds (distance) P-C4' energy: -141.499 flat angles C4'-P-C4' energy: -131.704 flat angles P-C4'-P energy: -97.015 tors. eta vs tors. theta energy: -50.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1281.718649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.718649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.718649 (E_RNA) where: Base-Base interactions energy: -736.825 where: short stacking energy: -350.448 Base-Backbone interact. energy: -0.491 local terms energy: -544.402844 where: bonds (distance) C4'-P energy: -138.434 bonds (distance) P-C4' energy: -123.852 flat angles C4'-P-C4' energy: -131.410 flat angles P-C4'-P energy: -85.411 tors. eta vs tors. theta energy: -65.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3087.469346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.469346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.469346 (E_RNA) where: Base-Base interactions energy: -2161.381 where: short stacking energy: -883.571 Base-Backbone interact. energy: -4.520 local terms energy: -921.568865 where: bonds (distance) C4'-P energy: -142.724 bonds (distance) P-C4' energy: -192.020 flat angles C4'-P-C4' energy: -196.988 flat angles P-C4'-P energy: -121.698 tors. eta vs tors. theta energy: -268.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -2897.627200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.627200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.627200 (E_RNA) where: Base-Base interactions energy: -1985.072 where: short stacking energy: -865.915 Base-Backbone interact. energy: -2.003 local terms energy: -910.551641 where: bonds (distance) C4'-P energy: -168.211 bonds (distance) P-C4' energy: -162.973 flat angles C4'-P-C4' energy: -193.411 flat angles P-C4'-P energy: -126.373 tors. eta vs tors. theta energy: -259.585 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: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -2835.727951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.727951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.727951 (E_RNA) where: Base-Base interactions energy: -1961.664 where: short stacking energy: -865.540 Base-Backbone interact. energy: -3.517 local terms energy: -870.546359 where: bonds (distance) C4'-P energy: -153.970 bonds (distance) P-C4' energy: -156.146 flat angles C4'-P-C4' energy: -190.818 flat angles P-C4'-P energy: -126.939 tors. eta vs tors. theta energy: -242.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2702.982787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.982787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.982787 (E_RNA) where: Base-Base interactions energy: -1869.757 where: short stacking energy: -834.788 Base-Backbone interact. energy: -5.243 local terms energy: -827.982596 where: bonds (distance) C4'-P energy: -162.526 bonds (distance) P-C4' energy: -154.057 flat angles C4'-P-C4' energy: -167.406 flat angles P-C4'-P energy: -122.950 tors. eta vs tors. theta energy: -221.044 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: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2441.086959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.086959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.086959 (E_RNA) where: Base-Base interactions energy: -1686.105 where: short stacking energy: -744.536 Base-Backbone interact. energy: -1.318 local terms energy: -753.664371 where: bonds (distance) C4'-P energy: -127.159 bonds (distance) P-C4' energy: -157.136 flat angles C4'-P-C4' energy: -170.363 flat angles P-C4'-P energy: -102.386 tors. eta vs tors. theta energy: -196.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2342.862179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.862179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.862179 (E_RNA) where: Base-Base interactions energy: -1647.928 where: short stacking energy: -750.377 Base-Backbone interact. energy: 1.980 local terms energy: -696.914016 where: bonds (distance) C4'-P energy: -129.735 bonds (distance) P-C4' energy: -137.725 flat angles C4'-P-C4' energy: -152.066 flat angles P-C4'-P energy: -91.712 tors. eta vs tors. theta energy: -185.676 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: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2065.263755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.263755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.263755 (E_RNA) where: Base-Base interactions energy: -1413.954 where: short stacking energy: -591.225 Base-Backbone interact. energy: -1.108 local terms energy: -650.201809 where: bonds (distance) C4'-P energy: -155.934 bonds (distance) P-C4' energy: -134.036 flat angles C4'-P-C4' energy: -155.613 flat angles P-C4'-P energy: -81.627 tors. eta vs tors. theta energy: -122.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1782.710418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.710418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.710418 (E_RNA) where: Base-Base interactions energy: -1147.788 where: short stacking energy: -524.738 Base-Backbone interact. energy: -3.135 local terms energy: -631.787067 where: bonds (distance) C4'-P energy: -137.568 bonds (distance) P-C4' energy: -162.597 flat angles C4'-P-C4' energy: -125.325 flat angles P-C4'-P energy: -96.279 tors. eta vs tors. theta energy: -110.017 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: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1424.703696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.703696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.703696 (E_RNA) where: Base-Base interactions energy: -896.619 where: short stacking energy: -413.240 Base-Backbone interact. energy: -0.706 local terms energy: -527.378702 where: bonds (distance) C4'-P energy: -129.773 bonds (distance) P-C4' energy: -126.388 flat angles C4'-P-C4' energy: -133.376 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -61.150 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: 4 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1222.117823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.117823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.117823 (E_RNA) where: Base-Base interactions energy: -698.824 where: short stacking energy: -362.939 Base-Backbone interact. energy: 0.129 local terms energy: -523.422817 where: bonds (distance) C4'-P energy: -125.666 bonds (distance) P-C4' energy: -143.259 flat angles C4'-P-C4' energy: -123.366 flat angles P-C4'-P energy: -87.536 tors. eta vs tors. theta energy: -43.596 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: 10 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3095.563787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.563787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.563787 (E_RNA) where: Base-Base interactions energy: -2189.772 where: short stacking energy: -886.505 Base-Backbone interact. energy: 0.991 local terms energy: -906.783173 where: bonds (distance) C4'-P energy: -172.793 bonds (distance) P-C4' energy: -163.635 flat angles C4'-P-C4' energy: -188.983 flat angles P-C4'-P energy: -132.908 tors. eta vs tors. theta energy: -248.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -2885.230801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.230801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.230801 (E_RNA) where: Base-Base interactions energy: -1980.191 where: short stacking energy: -864.366 Base-Backbone interact. energy: -5.229 local terms energy: -899.810700 where: bonds (distance) C4'-P energy: -149.022 bonds (distance) P-C4' energy: -171.847 flat angles C4'-P-C4' energy: -185.642 flat angles P-C4'-P energy: -129.660 tors. eta vs tors. theta energy: -263.640 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: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -2842.428591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.428591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.428591 (E_RNA) where: Base-Base interactions energy: -1981.761 where: short stacking energy: -851.929 Base-Backbone interact. energy: -3.535 local terms energy: -857.133095 where: bonds (distance) C4'-P energy: -137.605 bonds (distance) P-C4' energy: -161.615 flat angles C4'-P-C4' energy: -184.203 flat angles P-C4'-P energy: -119.324 tors. eta vs tors. theta energy: -254.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2674.383073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.383073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.383073 (E_RNA) where: Base-Base interactions energy: -1850.560 where: short stacking energy: -803.100 Base-Backbone interact. energy: 3.657 local terms energy: -827.480923 where: bonds (distance) C4'-P energy: -143.267 bonds (distance) P-C4' energy: -171.242 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -129.318 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: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2442.361080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.361080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.361080 (E_RNA) where: Base-Base interactions energy: -1709.554 where: short stacking energy: -763.173 Base-Backbone interact. energy: -1.251 local terms energy: -731.555537 where: bonds (distance) C4'-P energy: -120.021 bonds (distance) P-C4' energy: -136.977 flat angles C4'-P-C4' energy: -162.615 flat angles P-C4'-P energy: -110.527 tors. eta vs tors. theta energy: -201.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2349.132602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.132602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.132602 (E_RNA) where: Base-Base interactions energy: -1612.631 where: short stacking energy: -722.730 Base-Backbone interact. energy: -1.665 local terms energy: -734.836481 where: bonds (distance) C4'-P energy: -140.823 bonds (distance) P-C4' energy: -150.252 flat angles C4'-P-C4' energy: -149.906 flat angles P-C4'-P energy: -103.678 tors. eta vs tors. theta energy: -190.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2040.048106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.048106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.048106 (E_RNA) where: Base-Base interactions energy: -1391.234 where: short stacking energy: -617.278 Base-Backbone interact. energy: -0.811 local terms energy: -648.002353 where: bonds (distance) C4'-P energy: -134.588 bonds (distance) P-C4' energy: -140.838 flat angles C4'-P-C4' energy: -155.361 flat angles P-C4'-P energy: -94.483 tors. eta vs tors. theta energy: -122.732 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: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1713.190276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.190276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.190276 (E_RNA) where: Base-Base interactions energy: -1117.348 where: short stacking energy: -483.871 Base-Backbone interact. energy: 2.942 local terms energy: -598.784576 where: bonds (distance) C4'-P energy: -143.521 bonds (distance) P-C4' energy: -133.878 flat angles C4'-P-C4' energy: -157.280 flat angles P-C4'-P energy: -88.836 tors. eta vs tors. theta energy: -75.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1519.767385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.767385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.767385 (E_RNA) where: Base-Base interactions energy: -952.639 where: short stacking energy: -404.615 Base-Backbone interact. energy: 1.434 local terms energy: -568.561814 where: bonds (distance) C4'-P energy: -121.683 bonds (distance) P-C4' energy: -142.379 flat angles C4'-P-C4' energy: -159.612 flat angles P-C4'-P energy: -89.428 tors. eta vs tors. theta energy: -55.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1183.669346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.669346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.669346 (E_RNA) where: Base-Base interactions energy: -722.897 where: short stacking energy: -355.861 Base-Backbone interact. energy: 8.347 local terms energy: -469.119711 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -134.239 flat angles C4'-P-C4' energy: -110.024 flat angles P-C4'-P energy: -62.916 tors. eta vs tors. theta energy: -46.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3116.510451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.510451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.510451 (E_RNA) where: Base-Base interactions energy: -2219.300 where: short stacking energy: -917.306 Base-Backbone interact. energy: -1.528 local terms energy: -895.682606 where: bonds (distance) C4'-P energy: -152.691 bonds (distance) P-C4' energy: -171.255 flat angles C4'-P-C4' energy: -185.951 flat angles P-C4'-P energy: -127.051 tors. eta vs tors. theta energy: -258.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -2912.996465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.996465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.996465 (E_RNA) where: Base-Base interactions energy: -2015.212 where: short stacking energy: -866.339 Base-Backbone interact. energy: -0.762 local terms energy: -897.023256 where: bonds (distance) C4'-P energy: -162.277 bonds (distance) P-C4' energy: -166.787 flat angles C4'-P-C4' energy: -179.242 flat angles P-C4'-P energy: -124.590 tors. eta vs tors. theta energy: -264.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -2857.041873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.041873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.041873 (E_RNA) where: Base-Base interactions energy: -2003.534 where: short stacking energy: -857.272 Base-Backbone interact. energy: -1.077 local terms energy: -852.430191 where: bonds (distance) C4'-P energy: -150.697 bonds (distance) P-C4' energy: -167.839 flat angles C4'-P-C4' energy: -187.180 flat angles P-C4'-P energy: -125.193 tors. eta vs tors. theta energy: -221.521 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: 5 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2652.918349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.918349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.918349 (E_RNA) where: Base-Base interactions energy: -1835.092 where: short stacking energy: -808.517 Base-Backbone interact. energy: -2.198 local terms energy: -815.628316 where: bonds (distance) C4'-P energy: -157.150 bonds (distance) P-C4' energy: -146.032 flat angles C4'-P-C4' energy: -180.633 flat angles P-C4'-P energy: -122.762 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: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2427.246474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.246474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.246474 (E_RNA) where: Base-Base interactions energy: -1671.955 where: short stacking energy: -706.736 Base-Backbone interact. energy: 4.091 local terms energy: -759.382213 where: bonds (distance) C4'-P energy: -132.987 bonds (distance) P-C4' energy: -160.468 flat angles C4'-P-C4' energy: -176.371 flat angles P-C4'-P energy: -103.651 tors. eta vs tors. theta energy: -185.905 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: 6, replica: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2341.901473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.901473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.901473 (E_RNA) where: Base-Base interactions energy: -1617.948 where: short stacking energy: -716.048 Base-Backbone interact. energy: 2.633 local terms energy: -726.585747 where: bonds (distance) C4'-P energy: -141.685 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -153.184 flat angles P-C4'-P energy: -100.367 tors. eta vs tors. theta energy: -187.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2023.235388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.235388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.235388 (E_RNA) where: Base-Base interactions energy: -1392.492 where: short stacking energy: -607.576 Base-Backbone interact. energy: 1.695 local terms energy: -632.437473 where: bonds (distance) C4'-P energy: -129.294 bonds (distance) P-C4' energy: -133.604 flat angles C4'-P-C4' energy: -159.218 flat angles P-C4'-P energy: -77.377 tors. eta vs tors. theta energy: -132.944 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: 8, replica: 8 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1749.222576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.222576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.222576 (E_RNA) where: Base-Base interactions energy: -1147.909 where: short stacking energy: -521.264 Base-Backbone interact. energy: 1.116 local terms energy: -602.429543 where: bonds (distance) C4'-P energy: -122.665 bonds (distance) P-C4' energy: -125.857 flat angles C4'-P-C4' energy: -147.450 flat angles P-C4'-P energy: -95.147 tors. eta vs tors. theta energy: -111.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1507.581732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.581732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.581732 (E_RNA) where: Base-Base interactions energy: -936.941 where: short stacking energy: -409.657 Base-Backbone interact. energy: -3.862 local terms energy: -566.778720 where: bonds (distance) C4'-P energy: -144.786 bonds (distance) P-C4' energy: -131.857 flat angles C4'-P-C4' energy: -129.940 flat angles P-C4'-P energy: -96.132 tors. eta vs tors. theta energy: -64.064 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: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1117.754520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.754520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.754520 (E_RNA) where: Base-Base interactions energy: -672.123 where: short stacking energy: -325.184 Base-Backbone interact. energy: 0.677 local terms energy: -446.308568 where: bonds (distance) C4'-P energy: -127.008 bonds (distance) P-C4' energy: -114.819 flat angles C4'-P-C4' energy: -115.056 flat angles P-C4'-P energy: -61.565 tors. eta vs tors. theta energy: -27.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3077.276892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.276892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.276892 (E_RNA) where: Base-Base interactions energy: -2177.319 where: short stacking energy: -875.274 Base-Backbone interact. energy: -0.744 local terms energy: -899.214350 where: bonds (distance) C4'-P energy: -163.944 bonds (distance) P-C4' energy: -171.889 flat angles C4'-P-C4' energy: -189.137 flat angles P-C4'-P energy: -118.108 tors. eta vs tors. theta energy: -256.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -2916.466647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.466647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.466647 (E_RNA) where: Base-Base interactions energy: -2033.402 where: short stacking energy: -876.611 Base-Backbone interact. energy: -1.028 local terms energy: -882.036799 where: bonds (distance) C4'-P energy: -148.771 bonds (distance) P-C4' energy: -170.530 flat angles C4'-P-C4' energy: -188.660 flat angles P-C4'-P energy: -119.459 tors. eta vs tors. theta energy: -254.617 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: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -2834.354025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.354025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.354025 (E_RNA) where: Base-Base interactions energy: -1990.246 where: short stacking energy: -842.335 Base-Backbone interact. energy: -2.691 local terms energy: -841.416656 where: bonds (distance) C4'-P energy: -138.553 bonds (distance) P-C4' energy: -153.348 flat angles C4'-P-C4' energy: -192.354 flat angles P-C4'-P energy: -118.980 tors. eta vs tors. theta energy: -238.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2659.692603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.692603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.692603 (E_RNA) where: Base-Base interactions energy: -1855.757 where: short stacking energy: -796.028 Base-Backbone interact. energy: -1.746 local terms energy: -802.188903 where: bonds (distance) C4'-P energy: -143.535 bonds (distance) P-C4' energy: -136.216 flat angles C4'-P-C4' energy: -178.775 flat angles P-C4'-P energy: -118.772 tors. eta vs tors. theta energy: -224.891 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: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2505.322759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.322759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.322759 (E_RNA) where: Base-Base interactions energy: -1713.147 where: short stacking energy: -769.748 Base-Backbone interact. energy: -0.305 local terms energy: -791.870705 where: bonds (distance) C4'-P energy: -144.239 bonds (distance) P-C4' energy: -154.235 flat angles C4'-P-C4' energy: -159.686 flat angles P-C4'-P energy: -119.028 tors. eta vs tors. theta energy: -214.682 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: 3 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2367.445938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.445938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.445938 (E_RNA) where: Base-Base interactions energy: -1620.931 where: short stacking energy: -716.260 Base-Backbone interact. energy: -2.851 local terms energy: -743.663544 where: bonds (distance) C4'-P energy: -137.816 bonds (distance) P-C4' energy: -144.992 flat angles C4'-P-C4' energy: -162.712 flat angles P-C4'-P energy: -105.454 tors. eta vs tors. theta energy: -192.690 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: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2065.034862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.034862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.034862 (E_RNA) where: Base-Base interactions energy: -1394.647 where: short stacking energy: -572.941 Base-Backbone interact. energy: -0.102 local terms energy: -670.285885 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -156.554 flat angles C4'-P-C4' energy: -131.327 flat angles P-C4'-P energy: -92.307 tors. eta vs tors. theta energy: -138.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1750.201901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.201901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.201901 (E_RNA) where: Base-Base interactions energy: -1150.144 where: short stacking energy: -502.283 Base-Backbone interact. energy: -0.507 local terms energy: -599.550222 where: bonds (distance) C4'-P energy: -131.616 bonds (distance) P-C4' energy: -142.236 flat angles C4'-P-C4' energy: -140.445 flat angles P-C4'-P energy: -86.204 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: 9, replica: 9 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1483.772027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.772027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.772027 (E_RNA) where: Base-Base interactions energy: -943.875 where: short stacking energy: -425.295 Base-Backbone interact. energy: 3.976 local terms energy: -543.872581 where: bonds (distance) C4'-P energy: -126.738 bonds (distance) P-C4' energy: -151.910 flat angles C4'-P-C4' energy: -135.880 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -61.287 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: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1111.108380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.108380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.108380 (E_RNA) where: Base-Base interactions energy: -648.775 where: short stacking energy: -323.080 Base-Backbone interact. energy: 5.554 local terms energy: -467.886863 where: bonds (distance) C4'-P energy: -135.213 bonds (distance) P-C4' energy: -108.065 flat angles C4'-P-C4' energy: -135.036 flat angles P-C4'-P energy: -80.146 tors. eta vs tors. theta energy: -9.427 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: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3088.240647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.240647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.240647 (E_RNA) where: Base-Base interactions energy: -2180.295 where: short stacking energy: -888.822 Base-Backbone interact. energy: -3.930 local terms energy: -904.015335 where: bonds (distance) C4'-P energy: -166.758 bonds (distance) P-C4' energy: -161.216 flat angles C4'-P-C4' energy: -195.124 flat angles P-C4'-P energy: -138.630 tors. eta vs tors. theta energy: -242.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -2916.824823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.824823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.824823 (E_RNA) where: Base-Base interactions energy: -2029.255 where: short stacking energy: -859.193 Base-Backbone interact. energy: 0.241 local terms energy: -887.810464 where: bonds (distance) C4'-P energy: -168.150 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -192.639 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -248.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -2841.872968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.872968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.872968 (E_RNA) where: Base-Base interactions energy: -1993.857 where: short stacking energy: -858.940 Base-Backbone interact. energy: -4.577 local terms energy: -843.438754 where: bonds (distance) C4'-P energy: -144.656 bonds (distance) P-C4' energy: -155.279 flat angles C4'-P-C4' energy: -179.705 flat angles P-C4'-P energy: -119.164 tors. eta vs tors. theta energy: -244.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2641.345517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.345517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.345517 (E_RNA) where: Base-Base interactions energy: -1799.810 where: short stacking energy: -792.157 Base-Backbone interact. energy: -3.117 local terms energy: -838.418639 where: bonds (distance) C4'-P energy: -140.399 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -192.042 flat angles P-C4'-P energy: -126.362 tors. eta vs tors. theta energy: -211.214 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: 5, replica: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2400.515190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.515190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.515190 (E_RNA) where: Base-Base interactions energy: -1651.502 where: short stacking energy: -714.844 Base-Backbone interact. energy: -1.833 local terms energy: -747.179763 where: bonds (distance) C4'-P energy: -146.801 bonds (distance) P-C4' energy: -162.337 flat angles C4'-P-C4' energy: -149.720 flat angles P-C4'-P energy: -105.867 tors. eta vs tors. theta energy: -182.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2317.952719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.952719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.952719 (E_RNA) where: Base-Base interactions energy: -1573.064 where: short stacking energy: -686.895 Base-Backbone interact. energy: -1.341 local terms energy: -743.547975 where: bonds (distance) C4'-P energy: -156.560 bonds (distance) P-C4' energy: -136.253 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -179.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2050.718038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.718038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.718038 (E_RNA) where: Base-Base interactions energy: -1400.776 where: short stacking energy: -583.908 Base-Backbone interact. energy: -0.637 local terms energy: -649.304850 where: bonds (distance) C4'-P energy: -130.232 bonds (distance) P-C4' energy: -129.128 flat angles C4'-P-C4' energy: -148.106 flat angles P-C4'-P energy: -113.547 tors. eta vs tors. theta energy: -128.292 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: 446 Temperature: 1.250000 Total energy: -1716.860381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.860381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.860381 (E_RNA) where: Base-Base interactions energy: -1126.708 where: short stacking energy: -508.723 Base-Backbone interact. energy: 0.940 local terms energy: -591.092649 where: bonds (distance) C4'-P energy: -121.656 bonds (distance) P-C4' energy: -152.986 flat angles C4'-P-C4' energy: -133.863 flat angles P-C4'-P energy: -81.968 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: 9, replica: 9 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1475.822159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.822159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.822159 (E_RNA) where: Base-Base interactions energy: -948.418 where: short stacking energy: -423.401 Base-Backbone interact. energy: 1.350 local terms energy: -528.754415 where: bonds (distance) C4'-P energy: -125.196 bonds (distance) P-C4' energy: -128.513 flat angles C4'-P-C4' energy: -140.527 flat angles P-C4'-P energy: -71.075 tors. eta vs tors. theta energy: -63.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1019.555216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.555216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.555216 (E_RNA) where: Base-Base interactions energy: -579.548 where: short stacking energy: -271.244 Base-Backbone interact. energy: 7.942 local terms energy: -447.948824 where: bonds (distance) C4'-P energy: -140.438 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -96.306 flat angles P-C4'-P energy: -61.397 tors. eta vs tors. theta energy: -7.607 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: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3095.106480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.106480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.106480 (E_RNA) where: Base-Base interactions energy: -2183.143 where: short stacking energy: -888.644 Base-Backbone interact. energy: 0.544 local terms energy: -912.507186 where: bonds (distance) C4'-P energy: -155.647 bonds (distance) P-C4' energy: -167.771 flat angles C4'-P-C4' energy: -211.202 flat angles P-C4'-P energy: -124.131 tors. eta vs tors. theta energy: -253.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -2911.794565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.794565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.794565 (E_RNA) where: Base-Base interactions energy: -2050.900 where: short stacking energy: -887.343 Base-Backbone interact. energy: 0.231 local terms energy: -861.125562 where: bonds (distance) C4'-P energy: -149.489 bonds (distance) P-C4' energy: -159.342 flat angles C4'-P-C4' energy: -183.257 flat angles P-C4'-P energy: -120.946 tors. eta vs tors. theta energy: -248.092 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: 447 Temperature: 1.000000 Total energy: -2872.165251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.165251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.165251 (E_RNA) where: Base-Base interactions energy: -2020.622 where: short stacking energy: -874.033 Base-Backbone interact. energy: -0.839 local terms energy: -850.704651 where: bonds (distance) C4'-P energy: -140.419 bonds (distance) P-C4' energy: -158.970 flat angles C4'-P-C4' energy: -183.946 flat angles P-C4'-P energy: -119.563 tors. eta vs tors. theta energy: -247.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2668.415213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.415213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.415213 (E_RNA) where: Base-Base interactions energy: -1869.492 where: short stacking energy: -797.312 Base-Backbone interact. energy: -0.283 local terms energy: -798.640751 where: bonds (distance) C4'-P energy: -143.841 bonds (distance) P-C4' energy: -140.355 flat angles C4'-P-C4' energy: -182.588 flat angles P-C4'-P energy: -105.382 tors. eta vs tors. theta energy: -226.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2445.883885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.883885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.883885 (E_RNA) where: Base-Base interactions energy: -1659.977 where: short stacking energy: -720.966 Base-Backbone interact. energy: -3.401 local terms energy: -782.506814 where: bonds (distance) C4'-P energy: -141.269 bonds (distance) P-C4' energy: -159.778 flat angles C4'-P-C4' energy: -155.388 flat angles P-C4'-P energy: -130.039 tors. eta vs tors. theta energy: -196.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2362.868513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.868513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.868513 (E_RNA) where: Base-Base interactions energy: -1635.756 where: short stacking energy: -718.249 Base-Backbone interact. energy: -2.260 local terms energy: -724.852235 where: bonds (distance) C4'-P energy: -133.638 bonds (distance) P-C4' energy: -148.850 flat angles C4'-P-C4' energy: -155.575 flat angles P-C4'-P energy: -112.417 tors. eta vs tors. theta energy: -174.373 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: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2049.215146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.215146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.215146 (E_RNA) where: Base-Base interactions energy: -1389.555 where: short stacking energy: -592.352 Base-Backbone interact. energy: -0.992 local terms energy: -658.668066 where: bonds (distance) C4'-P energy: -135.679 bonds (distance) P-C4' energy: -133.459 flat angles C4'-P-C4' energy: -166.001 flat angles P-C4'-P energy: -94.703 tors. eta vs tors. theta energy: -128.826 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: 447 Temperature: 1.250000 Total energy: -1743.121095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.121095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.121095 (E_RNA) where: Base-Base interactions energy: -1109.045 where: short stacking energy: -498.210 Base-Backbone interact. energy: -2.914 local terms energy: -631.162722 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -145.240 flat angles C4'-P-C4' energy: -142.890 flat angles P-C4'-P energy: -85.450 tors. eta vs tors. theta energy: -116.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1458.803645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.803645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.803645 (E_RNA) where: Base-Base interactions energy: -952.101 where: short stacking energy: -453.837 Base-Backbone interact. energy: -3.641 local terms energy: -503.061541 where: bonds (distance) C4'-P energy: -119.318 bonds (distance) P-C4' energy: -120.871 flat angles C4'-P-C4' energy: -125.048 flat angles P-C4'-P energy: -75.300 tors. eta vs tors. theta energy: -62.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1042.224499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.224499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.224499 (E_RNA) where: Base-Base interactions energy: -588.529 where: short stacking energy: -304.048 Base-Backbone interact. energy: 0.412 local terms energy: -454.107356 where: bonds (distance) C4'-P energy: -134.406 bonds (distance) P-C4' energy: -149.695 flat angles C4'-P-C4' energy: -106.798 flat angles P-C4'-P energy: -60.050 tors. eta vs tors. theta energy: -3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3100.356037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.356037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.356037 (E_RNA) where: Base-Base interactions energy: -2217.578 where: short stacking energy: -917.684 Base-Backbone interact. energy: 0.336 local terms energy: -883.113767 where: bonds (distance) C4'-P energy: -149.623 bonds (distance) P-C4' energy: -159.521 flat angles C4'-P-C4' energy: -185.846 flat angles P-C4'-P energy: -125.881 tors. eta vs tors. theta energy: -262.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -2944.258447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.258447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.258447 (E_RNA) where: Base-Base interactions energy: -2067.295 where: short stacking energy: -909.359 Base-Backbone interact. energy: -0.426 local terms energy: -876.537339 where: bonds (distance) C4'-P energy: -163.498 bonds (distance) P-C4' energy: -163.499 flat angles C4'-P-C4' energy: -182.012 flat angles P-C4'-P energy: -113.193 tors. eta vs tors. theta energy: -254.336 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: 448 Temperature: 1.000000 Total energy: -2879.319361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.319361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.319361 (E_RNA) where: Base-Base interactions energy: -2012.734 where: short stacking energy: -854.087 Base-Backbone interact. energy: -0.752 local terms energy: -865.832643 where: bonds (distance) C4'-P energy: -155.559 bonds (distance) P-C4' energy: -150.129 flat angles C4'-P-C4' energy: -195.176 flat angles P-C4'-P energy: -120.558 tors. eta vs tors. theta energy: -244.410 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: 5 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2647.345624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.345624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.345624 (E_RNA) where: Base-Base interactions energy: -1819.447 where: short stacking energy: -797.451 Base-Backbone interact. energy: 5.179 local terms energy: -833.077334 where: bonds (distance) C4'-P energy: -163.548 bonds (distance) P-C4' energy: -136.225 flat angles C4'-P-C4' energy: -189.467 flat angles P-C4'-P energy: -124.731 tors. eta vs tors. theta energy: -219.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2457.509335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.509335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.509335 (E_RNA) where: Base-Base interactions energy: -1661.442 where: short stacking energy: -728.262 Base-Backbone interact. energy: -3.124 local terms energy: -792.943789 where: bonds (distance) C4'-P energy: -153.898 bonds (distance) P-C4' energy: -151.694 flat angles C4'-P-C4' energy: -178.779 flat angles P-C4'-P energy: -117.153 tors. eta vs tors. theta energy: -191.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2306.983195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.983195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.983195 (E_RNA) where: Base-Base interactions energy: -1622.993 where: short stacking energy: -689.261 Base-Backbone interact. energy: -2.116 local terms energy: -681.874294 where: bonds (distance) C4'-P energy: -121.871 bonds (distance) P-C4' energy: -150.149 flat angles C4'-P-C4' energy: -159.097 flat angles P-C4'-P energy: -97.992 tors. eta vs tors. theta energy: -152.765 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: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2101.883453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.883453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.883453 (E_RNA) where: Base-Base interactions energy: -1462.795 where: short stacking energy: -606.819 Base-Backbone interact. energy: -1.715 local terms energy: -637.373366 where: bonds (distance) C4'-P energy: -136.058 bonds (distance) P-C4' energy: -136.103 flat angles C4'-P-C4' energy: -135.843 flat angles P-C4'-P energy: -88.383 tors. eta vs tors. theta energy: -140.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1767.738479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.738479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.738479 (E_RNA) where: Base-Base interactions energy: -1156.871 where: short stacking energy: -502.037 Base-Backbone interact. energy: -1.790 local terms energy: -609.076710 where: bonds (distance) C4'-P energy: -136.199 bonds (distance) P-C4' energy: -137.998 flat angles C4'-P-C4' energy: -156.839 flat angles P-C4'-P energy: -81.039 tors. eta vs tors. theta energy: -97.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1423.051664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.051664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.051664 (E_RNA) where: Base-Base interactions energy: -887.973 where: short stacking energy: -416.892 Base-Backbone interact. energy: 1.106 local terms energy: -536.184492 where: bonds (distance) C4'-P energy: -134.504 bonds (distance) P-C4' energy: -139.959 flat angles C4'-P-C4' energy: -127.399 flat angles P-C4'-P energy: -64.167 tors. eta vs tors. theta energy: -70.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1015.114832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.114832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.114832 (E_RNA) where: Base-Base interactions energy: -578.044 where: short stacking energy: -281.756 Base-Backbone interact. energy: 2.617 local terms energy: -439.687737 where: bonds (distance) C4'-P energy: -107.698 bonds (distance) P-C4' energy: -136.204 flat angles C4'-P-C4' energy: -124.463 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -10.145 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: 10 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3124.202883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.202883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.202883 (E_RNA) where: Base-Base interactions energy: -2221.008 where: short stacking energy: -904.247 Base-Backbone interact. energy: -3.914 local terms energy: -899.280719 where: bonds (distance) C4'-P energy: -160.633 bonds (distance) P-C4' energy: -159.226 flat angles C4'-P-C4' energy: -179.584 flat angles P-C4'-P energy: -137.865 tors. eta vs tors. theta energy: -261.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -2930.358820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.358820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.358820 (E_RNA) where: Base-Base interactions energy: -2027.552 where: short stacking energy: -877.629 Base-Backbone interact. energy: -5.970 local terms energy: -896.837170 where: bonds (distance) C4'-P energy: -162.409 bonds (distance) P-C4' energy: -170.421 flat angles C4'-P-C4' energy: -190.970 flat angles P-C4'-P energy: -112.906 tors. eta vs tors. theta energy: -260.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -2852.661939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.661939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.661939 (E_RNA) where: Base-Base interactions energy: -1974.867 where: short stacking energy: -872.469 Base-Backbone interact. energy: -4.783 local terms energy: -873.012135 where: bonds (distance) C4'-P energy: -151.100 bonds (distance) P-C4' energy: -159.052 flat angles C4'-P-C4' energy: -180.423 flat angles P-C4'-P energy: -124.480 tors. eta vs tors. theta energy: -257.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2621.153411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.153411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.153411 (E_RNA) where: Base-Base interactions energy: -1790.795 where: short stacking energy: -787.842 Base-Backbone interact. energy: -3.009 local terms energy: -827.350015 where: bonds (distance) C4'-P energy: -150.935 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -187.753 flat angles P-C4'-P energy: -111.970 tors. eta vs tors. theta energy: -212.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2481.256156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.256156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.256156 (E_RNA) where: Base-Base interactions energy: -1732.492 where: short stacking energy: -760.746 Base-Backbone interact. energy: -1.816 local terms energy: -746.948974 where: bonds (distance) C4'-P energy: -140.055 bonds (distance) P-C4' energy: -127.668 flat angles C4'-P-C4' energy: -169.166 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -198.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2298.109442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.109442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.109442 (E_RNA) where: Base-Base interactions energy: -1585.179 where: short stacking energy: -665.305 Base-Backbone interact. energy: -0.347 local terms energy: -712.584064 where: bonds (distance) C4'-P energy: -126.244 bonds (distance) P-C4' energy: -133.755 flat angles C4'-P-C4' energy: -175.392 flat angles P-C4'-P energy: -105.304 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: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2094.966247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.966247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.966247 (E_RNA) where: Base-Base interactions energy: -1441.051 where: short stacking energy: -600.857 Base-Backbone interact. energy: 0.421 local terms energy: -654.335826 where: bonds (distance) C4'-P energy: -128.145 bonds (distance) P-C4' energy: -153.774 flat angles C4'-P-C4' energy: -149.280 flat angles P-C4'-P energy: -90.533 tors. eta vs tors. theta energy: -132.604 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: 449 Temperature: 1.250000 Total energy: -1805.650048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.650048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.650048 (E_RNA) where: Base-Base interactions energy: -1152.893 where: short stacking energy: -531.522 Base-Backbone interact. energy: 0.392 local terms energy: -653.148805 where: bonds (distance) C4'-P energy: -121.376 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -159.770 flat angles P-C4'-P energy: -93.099 tors. eta vs tors. theta energy: -124.980 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: 9 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1388.593989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.593989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.593989 (E_RNA) where: Base-Base interactions energy: -862.128 where: short stacking energy: -410.996 Base-Backbone interact. energy: 1.174 local terms energy: -527.640307 where: bonds (distance) C4'-P energy: -115.270 bonds (distance) P-C4' energy: -143.934 flat angles C4'-P-C4' energy: -122.323 flat angles P-C4'-P energy: -87.202 tors. eta vs tors. theta energy: -58.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1080.900682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.900682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.900682 (E_RNA) where: Base-Base interactions energy: -593.757 where: short stacking energy: -306.246 Base-Backbone interact. energy: 4.976 local terms energy: -492.119564 where: bonds (distance) C4'-P energy: -135.855 bonds (distance) P-C4' energy: -145.380 flat angles C4'-P-C4' energy: -129.853 flat angles P-C4'-P energy: -69.922 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3073.256204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.256204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.256204 (E_RNA) where: Base-Base interactions energy: -2147.596 where: short stacking energy: -855.167 Base-Backbone interact. energy: -3.092 local terms energy: -922.568389 where: bonds (distance) C4'-P energy: -166.182 bonds (distance) P-C4' energy: -180.503 flat angles C4'-P-C4' energy: -190.292 flat angles P-C4'-P energy: -131.785 tors. eta vs tors. theta energy: -253.805 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -2912.804008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.804008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.804008 (E_RNA) where: Base-Base interactions energy: -2045.448 where: short stacking energy: -889.136 Base-Backbone interact. energy: 2.683 local terms energy: -870.038707 where: bonds (distance) C4'-P energy: -152.449 bonds (distance) P-C4' energy: -155.660 flat angles C4'-P-C4' energy: -169.123 flat angles P-C4'-P energy: -135.498 tors. eta vs tors. theta energy: -257.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -2866.977798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.977798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.977798 (E_RNA) where: Base-Base interactions energy: -1997.566 where: short stacking energy: -860.029 Base-Backbone interact. energy: -2.277 local terms energy: -867.135434 where: bonds (distance) C4'-P energy: -150.202 bonds (distance) P-C4' energy: -157.780 flat angles C4'-P-C4' energy: -185.818 flat angles P-C4'-P energy: -124.911 tors. eta vs tors. theta energy: -248.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2667.008703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.008703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.008703 (E_RNA) where: Base-Base interactions energy: -1838.673 where: short stacking energy: -826.493 Base-Backbone interact. energy: -0.168 local terms energy: -828.167453 where: bonds (distance) C4'-P energy: -138.188 bonds (distance) P-C4' energy: -168.053 flat angles C4'-P-C4' energy: -191.696 flat angles P-C4'-P energy: -106.901 tors. eta vs tors. theta energy: -223.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2478.303864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.303864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.303864 (E_RNA) where: Base-Base interactions energy: -1715.705 where: short stacking energy: -734.922 Base-Backbone interact. energy: -3.890 local terms energy: -758.709046 where: bonds (distance) C4'-P energy: -129.233 bonds (distance) P-C4' energy: -162.486 flat angles C4'-P-C4' energy: -160.297 flat angles P-C4'-P energy: -100.009 tors. eta vs tors. theta energy: -206.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2334.925176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.925176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.925176 (E_RNA) where: Base-Base interactions energy: -1618.306 where: short stacking energy: -682.666 Base-Backbone interact. energy: -1.836 local terms energy: -714.783581 where: bonds (distance) C4'-P energy: -102.644 bonds (distance) P-C4' energy: -148.820 flat angles C4'-P-C4' energy: -172.501 flat angles P-C4'-P energy: -119.986 tors. eta vs tors. theta energy: -170.833 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: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2076.768994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.768994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.768994 (E_RNA) where: Base-Base interactions energy: -1392.842 where: short stacking energy: -564.615 Base-Backbone interact. energy: -3.384 local terms energy: -680.542691 where: bonds (distance) C4'-P energy: -129.036 bonds (distance) P-C4' energy: -152.781 flat angles C4'-P-C4' energy: -152.692 flat angles P-C4'-P energy: -100.851 tors. eta vs tors. theta energy: -145.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1782.548549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.548549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.548549 (E_RNA) where: Base-Base interactions energy: -1141.939 where: short stacking energy: -501.506 Base-Backbone interact. energy: -0.015 local terms energy: -640.594297 where: bonds (distance) C4'-P energy: -145.413 bonds (distance) P-C4' energy: -148.121 flat angles C4'-P-C4' energy: -151.387 flat angles P-C4'-P energy: -88.104 tors. eta vs tors. theta energy: -107.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1408.374341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.374341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.374341 (E_RNA) where: Base-Base interactions energy: -886.082 where: short stacking energy: -409.444 Base-Backbone interact. energy: 4.457 local terms energy: -526.749454 where: bonds (distance) C4'-P energy: -143.792 bonds (distance) P-C4' energy: -167.719 flat angles C4'-P-C4' energy: -114.003 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -56.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1090.020614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.020614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.020614 (E_RNA) where: Base-Base interactions energy: -617.507 where: short stacking energy: -314.562 Base-Backbone interact. energy: -1.072 local terms energy: -471.441742 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -123.440 flat angles C4'-P-C4' energy: -100.180 flat angles P-C4'-P energy: -80.965 tors. eta vs tors. theta energy: -35.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3079.461086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.461086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.461086 (E_RNA) where: Base-Base interactions energy: -2167.248 where: short stacking energy: -889.203 Base-Backbone interact. energy: -0.745 local terms energy: -911.468796 where: bonds (distance) C4'-P energy: -171.489 bonds (distance) P-C4' energy: -164.028 flat angles C4'-P-C4' energy: -198.050 flat angles P-C4'-P energy: -133.132 tors. eta vs tors. theta energy: -244.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -2887.413193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.413193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.413193 (E_RNA) where: Base-Base interactions energy: -1995.576 where: short stacking energy: -887.890 Base-Backbone interact. energy: 5.368 local terms energy: -897.205478 where: bonds (distance) C4'-P energy: -161.022 bonds (distance) P-C4' energy: -169.454 flat angles C4'-P-C4' energy: -190.580 flat angles P-C4'-P energy: -128.570 tors. eta vs tors. theta energy: -247.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -2868.210929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.210929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.210929 (E_RNA) where: Base-Base interactions energy: -1981.339 where: short stacking energy: -840.192 Base-Backbone interact. energy: -1.035 local terms energy: -885.837362 where: bonds (distance) C4'-P energy: -157.612 bonds (distance) P-C4' energy: -172.870 flat angles C4'-P-C4' energy: -189.580 flat angles P-C4'-P energy: -128.168 tors. eta vs tors. theta energy: -237.607 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: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2644.834441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.834441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.834441 (E_RNA) where: Base-Base interactions energy: -1856.843 where: short stacking energy: -804.743 Base-Backbone interact. energy: 2.527 local terms energy: -790.518543 where: bonds (distance) C4'-P energy: -141.140 bonds (distance) P-C4' energy: -157.495 flat angles C4'-P-C4' energy: -160.724 flat angles P-C4'-P energy: -112.826 tors. eta vs tors. theta energy: -218.334 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: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2535.788332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.788332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.788332 (E_RNA) where: Base-Base interactions energy: -1767.820 where: short stacking energy: -776.058 Base-Backbone interact. energy: -2.545 local terms energy: -765.422968 where: bonds (distance) C4'-P energy: -146.481 bonds (distance) P-C4' energy: -135.366 flat angles C4'-P-C4' energy: -159.829 flat angles P-C4'-P energy: -110.697 tors. eta vs tors. theta energy: -213.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2317.433321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.433321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.433321 (E_RNA) where: Base-Base interactions energy: -1570.233 where: short stacking energy: -663.803 Base-Backbone interact. energy: 0.809 local terms energy: -748.008705 where: bonds (distance) C4'-P energy: -146.854 bonds (distance) P-C4' energy: -160.024 flat angles C4'-P-C4' energy: -158.818 flat angles P-C4'-P energy: -101.728 tors. eta vs tors. theta energy: -180.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2137.693814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.693814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.693814 (E_RNA) where: Base-Base interactions energy: -1456.063 where: short stacking energy: -627.829 Base-Backbone interact. energy: -2.309 local terms energy: -679.322043 where: bonds (distance) C4'-P energy: -122.757 bonds (distance) P-C4' energy: -161.148 flat angles C4'-P-C4' energy: -152.449 flat angles P-C4'-P energy: -75.140 tors. eta vs tors. theta energy: -167.828 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: 451 Temperature: 1.250000 Total energy: -1801.259127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.259127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.259127 (E_RNA) where: Base-Base interactions energy: -1197.757 where: short stacking energy: -551.294 Base-Backbone interact. energy: 6.544 local terms energy: -610.046129 where: bonds (distance) C4'-P energy: -133.311 bonds (distance) P-C4' energy: -150.046 flat angles C4'-P-C4' energy: -121.695 flat angles P-C4'-P energy: -94.448 tors. eta vs tors. theta energy: -110.546 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: 9 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1375.490501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.490501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.490501 (E_RNA) where: Base-Base interactions energy: -853.900 where: short stacking energy: -386.259 Base-Backbone interact. energy: 1.474 local terms energy: -523.064556 where: bonds (distance) C4'-P energy: -134.174 bonds (distance) P-C4' energy: -131.770 flat angles C4'-P-C4' energy: -132.451 flat angles P-C4'-P energy: -76.735 tors. eta vs tors. theta energy: -47.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1107.534425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.534425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.534425 (E_RNA) where: Base-Base interactions energy: -639.745 where: short stacking energy: -312.847 Base-Backbone interact. energy: 3.918 local terms energy: -471.707254 where: bonds (distance) C4'-P energy: -127.425 bonds (distance) P-C4' energy: -141.180 flat angles C4'-P-C4' energy: -113.106 flat angles P-C4'-P energy: -60.478 tors. eta vs tors. theta energy: -29.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3063.617105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.617105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.617105 (E_RNA) where: Base-Base interactions energy: -2156.633 where: short stacking energy: -879.225 Base-Backbone interact. energy: -3.133 local terms energy: -903.851689 where: bonds (distance) C4'-P energy: -166.254 bonds (distance) P-C4' energy: -167.429 flat angles C4'-P-C4' energy: -198.609 flat angles P-C4'-P energy: -124.125 tors. eta vs tors. theta energy: -247.435 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: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -2883.859271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.859271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.859271 (E_RNA) where: Base-Base interactions energy: -2007.245 where: short stacking energy: -887.204 Base-Backbone interact. energy: -1.515 local terms energy: -875.099066 where: bonds (distance) C4'-P energy: -154.787 bonds (distance) P-C4' energy: -146.060 flat angles C4'-P-C4' energy: -195.525 flat angles P-C4'-P energy: -126.765 tors. eta vs tors. theta energy: -251.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -2858.225816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.225816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.225816 (E_RNA) where: Base-Base interactions energy: -2007.650 where: short stacking energy: -856.230 Base-Backbone interact. energy: -3.834 local terms energy: -846.741556 where: bonds (distance) C4'-P energy: -146.067 bonds (distance) P-C4' energy: -148.161 flat angles C4'-P-C4' energy: -188.814 flat angles P-C4'-P energy: -117.820 tors. eta vs tors. theta energy: -245.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2680.425332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.425332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.425332 (E_RNA) where: Base-Base interactions energy: -1874.342 where: short stacking energy: -815.454 Base-Backbone interact. energy: -1.883 local terms energy: -804.200395 where: bonds (distance) C4'-P energy: -159.105 bonds (distance) P-C4' energy: -129.242 flat angles C4'-P-C4' energy: -174.855 flat angles P-C4'-P energy: -125.589 tors. eta vs tors. theta energy: -215.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2508.566719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.566719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.566719 (E_RNA) where: Base-Base interactions energy: -1746.606 where: short stacking energy: -764.526 Base-Backbone interact. energy: 0.774 local terms energy: -762.735077 where: bonds (distance) C4'-P energy: -155.271 bonds (distance) P-C4' energy: -150.663 flat angles C4'-P-C4' energy: -156.517 flat angles P-C4'-P energy: -105.690 tors. eta vs tors. theta energy: -194.594 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: 7 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2389.556338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.556338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.556338 (E_RNA) where: Base-Base interactions energy: -1629.604 where: short stacking energy: -714.231 Base-Backbone interact. energy: -2.437 local terms energy: -757.515566 where: bonds (distance) C4'-P energy: -128.128 bonds (distance) P-C4' energy: -159.284 flat angles C4'-P-C4' energy: -163.254 flat angles P-C4'-P energy: -114.667 tors. eta vs tors. theta energy: -192.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2096.687052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.687052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.687052 (E_RNA) where: Base-Base interactions energy: -1418.771 where: short stacking energy: -599.131 Base-Backbone interact. energy: 7.280 local terms energy: -685.196124 where: bonds (distance) C4'-P energy: -148.269 bonds (distance) P-C4' energy: -147.806 flat angles C4'-P-C4' energy: -157.031 flat angles P-C4'-P energy: -86.168 tors. eta vs tors. theta energy: -145.923 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: 452 Temperature: 1.250000 Total energy: -1760.514369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.514369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.514369 (E_RNA) where: Base-Base interactions energy: -1175.033 where: short stacking energy: -519.130 Base-Backbone interact. energy: 0.720 local terms energy: -586.201484 where: bonds (distance) C4'-P energy: -137.399 bonds (distance) P-C4' energy: -144.333 flat angles C4'-P-C4' energy: -131.913 flat angles P-C4'-P energy: -91.411 tors. eta vs tors. theta energy: -81.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1425.873841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.873841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.873841 (E_RNA) where: Base-Base interactions energy: -896.935 where: short stacking energy: -407.261 Base-Backbone interact. energy: -1.356 local terms energy: -527.582801 where: bonds (distance) C4'-P energy: -136.085 bonds (distance) P-C4' energy: -123.442 flat angles C4'-P-C4' energy: -130.425 flat angles P-C4'-P energy: -90.801 tors. eta vs tors. theta energy: -46.830 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: 10, replica: 4 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1121.622940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.622940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.622940 (E_RNA) where: Base-Base interactions energy: -632.042 where: short stacking energy: -311.451 Base-Backbone interact. energy: 1.042 local terms energy: -490.622858 where: bonds (distance) C4'-P energy: -123.992 bonds (distance) P-C4' energy: -139.073 flat angles C4'-P-C4' energy: -130.256 flat angles P-C4'-P energy: -55.538 tors. eta vs tors. theta energy: -41.764 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: 1, replica: 10 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3112.465060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.465060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.465060 (E_RNA) where: Base-Base interactions energy: -2207.645 where: short stacking energy: -905.487 Base-Backbone interact. energy: 1.390 local terms energy: -906.210385 where: bonds (distance) C4'-P energy: -166.472 bonds (distance) P-C4' energy: -161.974 flat angles C4'-P-C4' energy: -198.075 flat angles P-C4'-P energy: -125.152 tors. eta vs tors. theta energy: -254.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -2900.525049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.525049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.525049 (E_RNA) where: Base-Base interactions energy: -2000.154 where: short stacking energy: -868.058 Base-Backbone interact. energy: -1.604 local terms energy: -898.767648 where: bonds (distance) C4'-P energy: -168.416 bonds (distance) P-C4' energy: -161.909 flat angles C4'-P-C4' energy: -197.541 flat angles P-C4'-P energy: -129.437 tors. eta vs tors. theta energy: -241.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2855.967670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.967670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.967670 (E_RNA) where: Base-Base interactions energy: -1996.371 where: short stacking energy: -854.124 Base-Backbone interact. energy: -2.218 local terms energy: -857.378980 where: bonds (distance) C4'-P energy: -159.239 bonds (distance) P-C4' energy: -156.560 flat angles C4'-P-C4' energy: -178.275 flat angles P-C4'-P energy: -121.123 tors. eta vs tors. theta energy: -242.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2691.831578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.831578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.831578 (E_RNA) where: Base-Base interactions energy: -1857.760 where: short stacking energy: -814.035 Base-Backbone interact. energy: -2.990 local terms energy: -831.081978 where: bonds (distance) C4'-P energy: -136.327 bonds (distance) P-C4' energy: -157.898 flat angles C4'-P-C4' energy: -189.532 flat angles P-C4'-P energy: -121.091 tors. eta vs tors. theta energy: -226.233 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: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2550.195518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.195518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.195518 (E_RNA) where: Base-Base interactions energy: -1744.465 where: short stacking energy: -777.044 Base-Backbone interact. energy: 4.361 local terms energy: -810.091663 where: bonds (distance) C4'-P energy: -143.378 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -187.686 flat angles P-C4'-P energy: -117.188 tors. eta vs tors. theta energy: -209.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2340.618922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.618922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.618922 (E_RNA) where: Base-Base interactions energy: -1635.658 where: short stacking energy: -707.820 Base-Backbone interact. energy: 2.045 local terms energy: -707.005808 where: bonds (distance) C4'-P energy: -135.786 bonds (distance) P-C4' energy: -146.823 flat angles C4'-P-C4' energy: -166.183 flat angles P-C4'-P energy: -93.026 tors. eta vs tors. theta energy: -165.188 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: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2109.432860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.432860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.432860 (E_RNA) where: Base-Base interactions energy: -1443.795 where: short stacking energy: -598.669 Base-Backbone interact. energy: -4.965 local terms energy: -660.672778 where: bonds (distance) C4'-P energy: -139.751 bonds (distance) P-C4' energy: -136.601 flat angles C4'-P-C4' energy: -159.637 flat angles P-C4'-P energy: -106.213 tors. eta vs tors. theta energy: -118.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1794.170317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.170317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.170317 (E_RNA) where: Base-Base interactions energy: -1194.428 where: short stacking energy: -514.723 Base-Backbone interact. energy: -2.194 local terms energy: -597.548299 where: bonds (distance) C4'-P energy: -114.190 bonds (distance) P-C4' energy: -140.804 flat angles C4'-P-C4' energy: -162.074 flat angles P-C4'-P energy: -74.652 tors. eta vs tors. theta energy: -105.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1358.228698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.228698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.228698 (E_RNA) where: Base-Base interactions energy: -812.155 where: short stacking energy: -373.759 Base-Backbone interact. energy: -0.603 local terms energy: -545.470694 where: bonds (distance) C4'-P energy: -145.470 bonds (distance) P-C4' energy: -162.780 flat angles C4'-P-C4' energy: -124.217 flat angles P-C4'-P energy: -66.303 tors. eta vs tors. theta energy: -46.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1083.364937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.364937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.364937 (E_RNA) where: Base-Base interactions energy: -598.355 where: short stacking energy: -310.022 Base-Backbone interact. energy: -2.574 local terms energy: -482.436698 where: bonds (distance) C4'-P energy: -129.453 bonds (distance) P-C4' energy: -133.662 flat angles C4'-P-C4' energy: -152.823 flat angles P-C4'-P energy: -48.285 tors. eta vs tors. theta energy: -18.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3076.032564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.032564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.032564 (E_RNA) where: Base-Base interactions energy: -2188.878 where: short stacking energy: -876.759 Base-Backbone interact. energy: -0.565 local terms energy: -886.589520 where: bonds (distance) C4'-P energy: -144.448 bonds (distance) P-C4' energy: -166.934 flat angles C4'-P-C4' energy: -190.716 flat angles P-C4'-P energy: -129.749 tors. eta vs tors. theta energy: -254.744 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: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -2896.135208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.135208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.135208 (E_RNA) where: Base-Base interactions energy: -2028.513 where: short stacking energy: -883.826 Base-Backbone interact. energy: -2.232 local terms energy: -865.390905 where: bonds (distance) C4'-P energy: -160.703 bonds (distance) P-C4' energy: -152.039 flat angles C4'-P-C4' energy: -184.608 flat angles P-C4'-P energy: -121.207 tors. eta vs tors. theta energy: -246.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -2895.820648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.820648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.820648 (E_RNA) where: Base-Base interactions energy: -2038.702 where: short stacking energy: -874.524 Base-Backbone interact. energy: -3.721 local terms energy: -853.397463 where: bonds (distance) C4'-P energy: -150.296 bonds (distance) P-C4' energy: -155.076 flat angles C4'-P-C4' energy: -182.721 flat angles P-C4'-P energy: -120.442 tors. eta vs tors. theta energy: -244.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2661.235949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.235949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.235949 (E_RNA) where: Base-Base interactions energy: -1840.040 where: short stacking energy: -789.654 Base-Backbone interact. energy: -3.117 local terms energy: -818.079265 where: bonds (distance) C4'-P energy: -131.929 bonds (distance) P-C4' energy: -151.035 flat angles C4'-P-C4' energy: -186.360 flat angles P-C4'-P energy: -123.515 tors. eta vs tors. theta energy: -225.240 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: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2591.347871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.347871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.347871 (E_RNA) where: Base-Base interactions energy: -1818.146 where: short stacking energy: -792.269 Base-Backbone interact. energy: -2.056 local terms energy: -771.145463 where: bonds (distance) C4'-P energy: -141.362 bonds (distance) P-C4' energy: -134.741 flat angles C4'-P-C4' energy: -180.532 flat angles P-C4'-P energy: -91.274 tors. eta vs tors. theta energy: -223.236 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: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2383.405198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.405198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.405198 (E_RNA) where: Base-Base interactions energy: -1658.797 where: short stacking energy: -700.345 Base-Backbone interact. energy: -2.009 local terms energy: -722.599201 where: bonds (distance) C4'-P energy: -127.520 bonds (distance) P-C4' energy: -142.728 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -114.959 tors. eta vs tors. theta energy: -185.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2129.528357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.528357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.528357 (E_RNA) where: Base-Base interactions energy: -1458.690 where: short stacking energy: -622.229 Base-Backbone interact. energy: -0.957 local terms energy: -669.881959 where: bonds (distance) C4'-P energy: -120.158 bonds (distance) P-C4' energy: -152.631 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -98.735 tors. eta vs tors. theta energy: -139.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1764.070869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.070869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.070869 (E_RNA) where: Base-Base interactions energy: -1198.175 where: short stacking energy: -513.207 Base-Backbone interact. energy: -0.190 local terms energy: -565.705761 where: bonds (distance) C4'-P energy: -109.606 bonds (distance) P-C4' energy: -131.079 flat angles C4'-P-C4' energy: -140.925 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -88.646 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: 9 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1425.299709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.299709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.299709 (E_RNA) where: Base-Base interactions energy: -877.302 where: short stacking energy: -403.167 Base-Backbone interact. energy: 3.209 local terms energy: -551.205956 where: bonds (distance) C4'-P energy: -112.287 bonds (distance) P-C4' energy: -149.505 flat angles C4'-P-C4' energy: -141.588 flat angles P-C4'-P energy: -82.313 tors. eta vs tors. theta energy: -65.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1212.270412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.270412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.270412 (E_RNA) where: Base-Base interactions energy: -724.725 where: short stacking energy: -364.600 Base-Backbone interact. energy: 1.109 local terms energy: -488.654920 where: bonds (distance) C4'-P energy: -106.360 bonds (distance) P-C4' energy: -129.906 flat angles C4'-P-C4' energy: -129.818 flat angles P-C4'-P energy: -81.512 tors. eta vs tors. theta energy: -41.059 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: 10 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3078.144015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.144015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.144015 (E_RNA) where: Base-Base interactions energy: -2161.943 where: short stacking energy: -878.103 Base-Backbone interact. energy: -4.096 local terms energy: -912.104844 where: bonds (distance) C4'-P energy: -163.575 bonds (distance) P-C4' energy: -175.277 flat angles C4'-P-C4' energy: -193.501 flat angles P-C4'-P energy: -128.908 tors. eta vs tors. theta energy: -250.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -2907.249327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.249327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.249327 (E_RNA) where: Base-Base interactions energy: -2026.920 where: short stacking energy: -870.366 Base-Backbone interact. energy: -1.555 local terms energy: -878.773914 where: bonds (distance) C4'-P energy: -170.591 bonds (distance) P-C4' energy: -160.842 flat angles C4'-P-C4' energy: -184.223 flat angles P-C4'-P energy: -119.167 tors. eta vs tors. theta energy: -243.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -2903.562433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.562433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.562433 (E_RNA) where: Base-Base interactions energy: -2028.899 where: short stacking energy: -877.939 Base-Backbone interact. energy: 0.640 local terms energy: -875.303845 where: bonds (distance) C4'-P energy: -162.853 bonds (distance) P-C4' energy: -155.753 flat angles C4'-P-C4' energy: -181.989 flat angles P-C4'-P energy: -123.983 tors. eta vs tors. theta energy: -250.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2658.216241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.216241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.216241 (E_RNA) where: Base-Base interactions energy: -1855.729 where: short stacking energy: -791.104 Base-Backbone interact. energy: -0.777 local terms energy: -801.710732 where: bonds (distance) C4'-P energy: -155.166 bonds (distance) P-C4' energy: -135.080 flat angles C4'-P-C4' energy: -178.213 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -217.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2474.890740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.890740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.890740 (E_RNA) where: Base-Base interactions energy: -1729.676 where: short stacking energy: -759.341 Base-Backbone interact. energy: -2.110 local terms energy: -743.105254 where: bonds (distance) C4'-P energy: -136.498 bonds (distance) P-C4' energy: -144.976 flat angles C4'-P-C4' energy: -156.198 flat angles P-C4'-P energy: -105.358 tors. eta vs tors. theta energy: -200.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2388.465426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.465426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.465426 (E_RNA) where: Base-Base interactions energy: -1639.708 where: short stacking energy: -690.242 Base-Backbone interact. energy: -4.357 local terms energy: -744.400346 where: bonds (distance) C4'-P energy: -138.459 bonds (distance) P-C4' energy: -143.549 flat angles C4'-P-C4' energy: -165.303 flat angles P-C4'-P energy: -103.144 tors. eta vs tors. theta energy: -193.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2086.465972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.465972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.465972 (E_RNA) where: Base-Base interactions energy: -1435.808 where: short stacking energy: -601.150 Base-Backbone interact. energy: 1.793 local terms energy: -652.450487 where: bonds (distance) C4'-P energy: -118.783 bonds (distance) P-C4' energy: -145.500 flat angles C4'-P-C4' energy: -153.912 flat angles P-C4'-P energy: -109.727 tors. eta vs tors. theta energy: -124.528 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: 455 Temperature: 1.250000 Total energy: -1822.306015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1822.306015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1822.306015 (E_RNA) where: Base-Base interactions energy: -1232.304 where: short stacking energy: -534.322 Base-Backbone interact. energy: 0.296 local terms energy: -590.298441 where: bonds (distance) C4'-P energy: -121.667 bonds (distance) P-C4' energy: -156.549 flat angles C4'-P-C4' energy: -129.353 flat angles P-C4'-P energy: -79.270 tors. eta vs tors. theta energy: -103.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1433.468242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.468242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.468242 (E_RNA) where: Base-Base interactions energy: -883.363 where: short stacking energy: -383.246 Base-Backbone interact. energy: 0.374 local terms energy: -550.479151 where: bonds (distance) C4'-P energy: -124.405 bonds (distance) P-C4' energy: -146.436 flat angles C4'-P-C4' energy: -157.858 flat angles P-C4'-P energy: -72.878 tors. eta vs tors. theta energy: -48.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1256.301652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.301652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.301652 (E_RNA) where: Base-Base interactions energy: -756.902 where: short stacking energy: -397.262 Base-Backbone interact. energy: -2.232 local terms energy: -497.166892 where: bonds (distance) C4'-P energy: -132.632 bonds (distance) P-C4' energy: -139.683 flat angles C4'-P-C4' energy: -104.221 flat angles P-C4'-P energy: -68.633 tors. eta vs tors. theta energy: -51.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3090.245556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.245556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.245556 (E_RNA) where: Base-Base interactions energy: -2181.906 where: short stacking energy: -888.148 Base-Backbone interact. energy: -2.313 local terms energy: -906.026688 where: bonds (distance) C4'-P energy: -169.075 bonds (distance) P-C4' energy: -156.186 flat angles C4'-P-C4' energy: -194.353 flat angles P-C4'-P energy: -131.147 tors. eta vs tors. theta energy: -255.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -2909.446585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.446585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.446585 (E_RNA) where: Base-Base interactions energy: -2018.853 where: short stacking energy: -868.348 Base-Backbone interact. energy: -4.215 local terms energy: -886.378939 where: bonds (distance) C4'-P energy: -164.570 bonds (distance) P-C4' energy: -158.246 flat angles C4'-P-C4' energy: -204.763 flat angles P-C4'-P energy: -109.016 tors. eta vs tors. theta energy: -249.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -2871.301069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.301069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.301069 (E_RNA) where: Base-Base interactions energy: -2010.418 where: short stacking energy: -872.799 Base-Backbone interact. energy: -3.245 local terms energy: -857.637575 where: bonds (distance) C4'-P energy: -155.802 bonds (distance) P-C4' energy: -153.607 flat angles C4'-P-C4' energy: -188.489 flat angles P-C4'-P energy: -115.185 tors. eta vs tors. theta energy: -244.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2674.714092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.714092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.714092 (E_RNA) where: Base-Base interactions energy: -1859.635 where: short stacking energy: -785.441 Base-Backbone interact. energy: 0.498 local terms energy: -815.576849 where: bonds (distance) C4'-P energy: -151.240 bonds (distance) P-C4' energy: -155.439 flat angles C4'-P-C4' energy: -167.111 flat angles P-C4'-P energy: -113.082 tors. eta vs tors. theta energy: -228.704 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: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2479.577818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.577818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.577818 (E_RNA) where: Base-Base interactions energy: -1721.739 where: short stacking energy: -749.323 Base-Backbone interact. energy: 0.520 local terms energy: -758.358394 where: bonds (distance) C4'-P energy: -144.192 bonds (distance) P-C4' energy: -168.178 flat angles C4'-P-C4' energy: -157.030 flat angles P-C4'-P energy: -103.749 tors. eta vs tors. theta energy: -185.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2427.135835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.135835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.135835 (E_RNA) where: Base-Base interactions energy: -1677.602 where: short stacking energy: -730.778 Base-Backbone interact. energy: -0.790 local terms energy: -748.743290 where: bonds (distance) C4'-P energy: -143.515 bonds (distance) P-C4' energy: -154.176 flat angles C4'-P-C4' energy: -170.669 flat angles P-C4'-P energy: -91.834 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: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1973.785658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.785658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.785658 (E_RNA) where: Base-Base interactions energy: -1337.867 where: short stacking energy: -600.827 Base-Backbone interact. energy: -4.264 local terms energy: -631.655289 where: bonds (distance) C4'-P energy: -137.344 bonds (distance) P-C4' energy: -130.370 flat angles C4'-P-C4' energy: -158.424 flat angles P-C4'-P energy: -75.921 tors. eta vs tors. theta energy: -129.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1825.268332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.268332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.268332 (E_RNA) where: Base-Base interactions energy: -1229.361 where: short stacking energy: -567.392 Base-Backbone interact. energy: 0.307 local terms energy: -596.214091 where: bonds (distance) C4'-P energy: -141.370 bonds (distance) P-C4' energy: -139.308 flat angles C4'-P-C4' energy: -138.542 flat angles P-C4'-P energy: -70.141 tors. eta vs tors. theta energy: -106.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1421.991561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.991561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.991561 (E_RNA) where: Base-Base interactions energy: -873.157 where: short stacking energy: -393.485 Base-Backbone interact. energy: -0.319 local terms energy: -548.515760 where: bonds (distance) C4'-P energy: -127.917 bonds (distance) P-C4' energy: -148.388 flat angles C4'-P-C4' energy: -138.985 flat angles P-C4'-P energy: -76.531 tors. eta vs tors. theta energy: -56.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1189.365803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.365803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.365803 (E_RNA) where: Base-Base interactions energy: -725.288 where: short stacking energy: -355.381 Base-Backbone interact. energy: -2.369 local terms energy: -461.708452 where: bonds (distance) C4'-P energy: -94.262 bonds (distance) P-C4' energy: -129.421 flat angles C4'-P-C4' energy: -136.391 flat angles P-C4'-P energy: -81.285 tors. eta vs tors. theta energy: -20.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3080.351512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.351512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.351512 (E_RNA) where: Base-Base interactions energy: -2170.605 where: short stacking energy: -884.479 Base-Backbone interact. energy: -2.761 local terms energy: -906.985257 where: bonds (distance) C4'-P energy: -163.829 bonds (distance) P-C4' energy: -171.682 flat angles C4'-P-C4' energy: -185.784 flat angles P-C4'-P energy: -133.226 tors. eta vs tors. theta energy: -252.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -2895.605458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.605458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.605458 (E_RNA) where: Base-Base interactions energy: -2029.870 where: short stacking energy: -896.236 Base-Backbone interact. energy: -2.589 local terms energy: -863.146757 where: bonds (distance) C4'-P energy: -163.700 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -176.718 flat angles P-C4'-P energy: -117.530 tors. eta vs tors. theta energy: -247.351 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: 457 Temperature: 1.000000 Total energy: -2908.700391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.700391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.700391 (E_RNA) where: Base-Base interactions energy: -2041.553 where: short stacking energy: -864.529 Base-Backbone interact. energy: -3.496 local terms energy: -863.650722 where: bonds (distance) C4'-P energy: -153.786 bonds (distance) P-C4' energy: -175.116 flat angles C4'-P-C4' energy: -175.473 flat angles P-C4'-P energy: -114.787 tors. eta vs tors. theta energy: -244.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2681.975682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.975682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.975682 (E_RNA) where: Base-Base interactions energy: -1853.875 where: short stacking energy: -790.996 Base-Backbone interact. energy: -1.270 local terms energy: -826.831139 where: bonds (distance) C4'-P energy: -146.815 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -175.686 flat angles P-C4'-P energy: -125.591 tors. eta vs tors. theta energy: -221.015 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: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2459.002905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.002905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.002905 (E_RNA) where: Base-Base interactions energy: -1714.320 where: short stacking energy: -769.360 Base-Backbone interact. energy: -1.693 local terms energy: -742.990003 where: bonds (distance) C4'-P energy: -134.382 bonds (distance) P-C4' energy: -136.441 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -109.266 tors. eta vs tors. theta energy: -199.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2345.233471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.233471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.233471 (E_RNA) where: Base-Base interactions energy: -1625.479 where: short stacking energy: -684.987 Base-Backbone interact. energy: -3.762 local terms energy: -715.991949 where: bonds (distance) C4'-P energy: -139.030 bonds (distance) P-C4' energy: -137.186 flat angles C4'-P-C4' energy: -167.117 flat angles P-C4'-P energy: -97.622 tors. eta vs tors. theta energy: -175.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2007.564413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.564413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.564413 (E_RNA) where: Base-Base interactions energy: -1324.798 where: short stacking energy: -569.259 Base-Backbone interact. energy: 3.131 local terms energy: -685.897702 where: bonds (distance) C4'-P energy: -147.526 bonds (distance) P-C4' energy: -141.379 flat angles C4'-P-C4' energy: -152.686 flat angles P-C4'-P energy: -98.241 tors. eta vs tors. theta energy: -146.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1848.247032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.247032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.247032 (E_RNA) where: Base-Base interactions energy: -1233.614 where: short stacking energy: -526.339 Base-Backbone interact. energy: -0.270 local terms energy: -614.362899 where: bonds (distance) C4'-P energy: -151.291 bonds (distance) P-C4' energy: -135.486 flat angles C4'-P-C4' energy: -145.104 flat angles P-C4'-P energy: -81.869 tors. eta vs tors. theta energy: -100.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1412.445880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.445880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.445880 (E_RNA) where: Base-Base interactions energy: -868.521 where: short stacking energy: -388.598 Base-Backbone interact. energy: -1.735 local terms energy: -542.190033 where: bonds (distance) C4'-P energy: -113.894 bonds (distance) P-C4' energy: -146.879 flat angles C4'-P-C4' energy: -129.355 flat angles P-C4'-P energy: -99.363 tors. eta vs tors. theta energy: -52.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1233.321264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.321264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.321264 (E_RNA) where: Base-Base interactions energy: -735.246 where: short stacking energy: -365.163 Base-Backbone interact. energy: -1.030 local terms energy: -497.044975 where: bonds (distance) C4'-P energy: -123.150 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -139.343 flat angles P-C4'-P energy: -66.177 tors. eta vs tors. theta energy: -42.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3094.708243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.708243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.708243 (E_RNA) where: Base-Base interactions energy: -2196.043 where: short stacking energy: -887.192 Base-Backbone interact. energy: -1.743 local terms energy: -896.922090 where: bonds (distance) C4'-P energy: -173.158 bonds (distance) P-C4' energy: -156.712 flat angles C4'-P-C4' energy: -185.716 flat angles P-C4'-P energy: -128.424 tors. eta vs tors. theta energy: -252.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -2896.408586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.408586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.408586 (E_RNA) where: Base-Base interactions energy: -2023.101 where: short stacking energy: -850.923 Base-Backbone interact. energy: -1.925 local terms energy: -871.383123 where: bonds (distance) C4'-P energy: -151.428 bonds (distance) P-C4' energy: -178.819 flat angles C4'-P-C4' energy: -183.943 flat angles P-C4'-P energy: -110.880 tors. eta vs tors. theta energy: -246.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -2884.736728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.736728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.736728 (E_RNA) where: Base-Base interactions energy: -1989.476 where: short stacking energy: -850.389 Base-Backbone interact. energy: -3.795 local terms energy: -891.465403 where: bonds (distance) C4'-P energy: -164.755 bonds (distance) P-C4' energy: -168.831 flat angles C4'-P-C4' energy: -201.312 flat angles P-C4'-P energy: -127.443 tors. eta vs tors. theta energy: -229.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2690.979838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.979838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.979838 (E_RNA) where: Base-Base interactions energy: -1863.917 where: short stacking energy: -798.936 Base-Backbone interact. energy: -4.685 local terms energy: -822.377801 where: bonds (distance) C4'-P energy: -159.059 bonds (distance) P-C4' energy: -159.443 flat angles C4'-P-C4' energy: -170.553 flat angles P-C4'-P energy: -114.723 tors. eta vs tors. theta energy: -218.601 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: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2477.494492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.494492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.494492 (E_RNA) where: Base-Base interactions energy: -1709.668 where: short stacking energy: -766.144 Base-Backbone interact. energy: -3.547 local terms energy: -764.278990 where: bonds (distance) C4'-P energy: -145.039 bonds (distance) P-C4' energy: -127.464 flat angles C4'-P-C4' energy: -173.014 flat angles P-C4'-P energy: -120.796 tors. eta vs tors. theta energy: -197.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2385.741041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.741041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.741041 (E_RNA) where: Base-Base interactions energy: -1665.709 where: short stacking energy: -710.162 Base-Backbone interact. energy: -0.861 local terms energy: -719.170563 where: bonds (distance) C4'-P energy: -146.294 bonds (distance) P-C4' energy: -131.062 flat angles C4'-P-C4' energy: -161.686 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -178.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2078.995898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2078.995898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2078.995898 (E_RNA) where: Base-Base interactions energy: -1412.619 where: short stacking energy: -587.196 Base-Backbone interact. energy: 5.342 local terms energy: -671.719165 where: bonds (distance) C4'-P energy: -140.074 bonds (distance) P-C4' energy: -146.356 flat angles C4'-P-C4' energy: -157.725 flat angles P-C4'-P energy: -88.416 tors. eta vs tors. theta energy: -139.147 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: 458 Temperature: 1.250000 Total energy: -1844.981239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.981239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.981239 (E_RNA) where: Base-Base interactions energy: -1256.187 where: short stacking energy: -558.030 Base-Backbone interact. energy: -3.721 local terms energy: -585.072823 where: bonds (distance) C4'-P energy: -132.545 bonds (distance) P-C4' energy: -145.274 flat angles C4'-P-C4' energy: -123.527 flat angles P-C4'-P energy: -74.953 tors. eta vs tors. theta energy: -108.774 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: 9 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1467.746190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.746190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.746190 (E_RNA) where: Base-Base interactions energy: -938.643 where: short stacking energy: -442.104 Base-Backbone interact. energy: -3.173 local terms energy: -525.930046 where: bonds (distance) C4'-P energy: -133.323 bonds (distance) P-C4' energy: -132.834 flat angles C4'-P-C4' energy: -129.949 flat angles P-C4'-P energy: -64.699 tors. eta vs tors. theta energy: -65.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1233.567698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.567698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.567698 (E_RNA) where: Base-Base interactions energy: -735.760 where: short stacking energy: -367.034 Base-Backbone interact. energy: -1.295 local terms energy: -496.512915 where: bonds (distance) C4'-P energy: -137.429 bonds (distance) P-C4' energy: -114.555 flat angles C4'-P-C4' energy: -128.457 flat angles P-C4'-P energy: -59.784 tors. eta vs tors. theta energy: -56.289 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: 1, replica: 10 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3097.730850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.730850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.730850 (E_RNA) where: Base-Base interactions energy: -2217.659 where: short stacking energy: -911.128 Base-Backbone interact. energy: 1.187 local terms energy: -881.258588 where: bonds (distance) C4'-P energy: -154.276 bonds (distance) P-C4' energy: -157.665 flat angles C4'-P-C4' energy: -196.398 flat angles P-C4'-P energy: -112.000 tors. eta vs tors. theta energy: -260.919 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: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -2918.233220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.233220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.233220 (E_RNA) where: Base-Base interactions energy: -2061.150 where: short stacking energy: -909.705 Base-Backbone interact. energy: 3.192 local terms energy: -860.275668 where: bonds (distance) C4'-P energy: -148.218 bonds (distance) P-C4' energy: -162.841 flat angles C4'-P-C4' energy: -185.019 flat angles P-C4'-P energy: -118.538 tors. eta vs tors. theta energy: -245.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -2874.460977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.460977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.460977 (E_RNA) where: Base-Base interactions energy: -2006.359 where: short stacking energy: -855.604 Base-Backbone interact. energy: 2.485 local terms energy: -870.586799 where: bonds (distance) C4'-P energy: -151.472 bonds (distance) P-C4' energy: -163.832 flat angles C4'-P-C4' energy: -180.599 flat angles P-C4'-P energy: -127.852 tors. eta vs tors. theta energy: -246.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2694.485181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2694.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2694.485181 (E_RNA) where: Base-Base interactions energy: -1863.055 where: short stacking energy: -837.372 Base-Backbone interact. energy: -2.403 local terms energy: -829.026632 where: bonds (distance) C4'-P energy: -158.313 bonds (distance) P-C4' energy: -128.989 flat angles C4'-P-C4' energy: -187.727 flat angles P-C4'-P energy: -113.172 tors. eta vs tors. theta energy: -240.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2493.881703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.881703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.881703 (E_RNA) where: Base-Base interactions energy: -1715.284 where: short stacking energy: -757.461 Base-Backbone interact. energy: -4.246 local terms energy: -774.351587 where: bonds (distance) C4'-P energy: -134.692 bonds (distance) P-C4' energy: -154.291 flat angles C4'-P-C4' energy: -163.901 flat angles P-C4'-P energy: -119.733 tors. eta vs tors. theta energy: -201.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2352.118323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.118323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.118323 (E_RNA) where: Base-Base interactions energy: -1651.146 where: short stacking energy: -708.702 Base-Backbone interact. energy: 2.876 local terms energy: -703.848276 where: bonds (distance) C4'-P energy: -134.605 bonds (distance) P-C4' energy: -136.463 flat angles C4'-P-C4' energy: -164.768 flat angles P-C4'-P energy: -99.106 tors. eta vs tors. theta energy: -168.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2020.317365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.317365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.317365 (E_RNA) where: Base-Base interactions energy: -1312.129 where: short stacking energy: -600.747 Base-Backbone interact. energy: 7.862 local terms energy: -716.050183 where: bonds (distance) C4'-P energy: -139.839 bonds (distance) P-C4' energy: -162.253 flat angles C4'-P-C4' energy: -175.801 flat angles P-C4'-P energy: -91.352 tors. eta vs tors. theta energy: -146.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1831.560069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.560069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.560069 (E_RNA) where: Base-Base interactions energy: -1231.518 where: short stacking energy: -519.772 Base-Backbone interact. energy: -3.792 local terms energy: -596.250554 where: bonds (distance) C4'-P energy: -116.282 bonds (distance) P-C4' energy: -142.789 flat angles C4'-P-C4' energy: -147.257 flat angles P-C4'-P energy: -75.074 tors. eta vs tors. theta energy: -114.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1501.810784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.810784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.810784 (E_RNA) where: Base-Base interactions energy: -935.234 where: short stacking energy: -421.692 Base-Backbone interact. energy: 1.095 local terms energy: -567.671919 where: bonds (distance) C4'-P energy: -133.200 bonds (distance) P-C4' energy: -151.657 flat angles C4'-P-C4' energy: -129.082 flat angles P-C4'-P energy: -85.655 tors. eta vs tors. theta energy: -68.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1218.238399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.238399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.238399 (E_RNA) where: Base-Base interactions energy: -745.048 where: short stacking energy: -358.579 Base-Backbone interact. energy: 2.238 local terms energy: -475.428644 where: bonds (distance) C4'-P energy: -137.797 bonds (distance) P-C4' energy: -111.682 flat angles C4'-P-C4' energy: -117.186 flat angles P-C4'-P energy: -83.301 tors. eta vs tors. theta energy: -25.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3075.920797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.920797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.920797 (E_RNA) where: Base-Base interactions energy: -2178.251 where: short stacking energy: -898.837 Base-Backbone interact. energy: 1.946 local terms energy: -899.616046 where: bonds (distance) C4'-P energy: -162.965 bonds (distance) P-C4' energy: -163.022 flat angles C4'-P-C4' energy: -182.168 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -259.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -2939.521621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.521621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.521621 (E_RNA) where: Base-Base interactions energy: -2073.882 where: short stacking energy: -874.716 Base-Backbone interact. energy: 1.053 local terms energy: -866.692602 where: bonds (distance) C4'-P energy: -152.945 bonds (distance) P-C4' energy: -156.881 flat angles C4'-P-C4' energy: -185.067 flat angles P-C4'-P energy: -133.256 tors. eta vs tors. theta energy: -238.544 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: 460 Temperature: 1.000000 Total energy: -2841.231552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.231552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.231552 (E_RNA) where: Base-Base interactions energy: -1978.619 where: short stacking energy: -854.353 Base-Backbone interact. energy: -1.160 local terms energy: -861.453255 where: bonds (distance) C4'-P energy: -159.024 bonds (distance) P-C4' energy: -157.039 flat angles C4'-P-C4' energy: -189.266 flat angles P-C4'-P energy: -112.122 tors. eta vs tors. theta energy: -244.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2653.677900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.677900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.677900 (E_RNA) where: Base-Base interactions energy: -1842.142 where: short stacking energy: -786.397 Base-Backbone interact. energy: 1.929 local terms energy: -813.464710 where: bonds (distance) C4'-P energy: -145.739 bonds (distance) P-C4' energy: -158.509 flat angles C4'-P-C4' energy: -175.400 flat angles P-C4'-P energy: -112.357 tors. eta vs tors. theta energy: -221.460 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: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2464.498708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.498708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.498708 (E_RNA) where: Base-Base interactions energy: -1708.777 where: short stacking energy: -747.995 Base-Backbone interact. energy: -3.467 local terms energy: -752.254107 where: bonds (distance) C4'-P energy: -153.576 bonds (distance) P-C4' energy: -133.957 flat angles C4'-P-C4' energy: -163.811 flat angles P-C4'-P energy: -102.636 tors. eta vs tors. theta energy: -198.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2390.568197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.568197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.568197 (E_RNA) where: Base-Base interactions energy: -1648.165 where: short stacking energy: -705.821 Base-Backbone interact. energy: -6.344 local terms energy: -736.059256 where: bonds (distance) C4'-P energy: -134.782 bonds (distance) P-C4' energy: -130.261 flat angles C4'-P-C4' energy: -158.880 flat angles P-C4'-P energy: -122.867 tors. eta vs tors. theta energy: -189.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1996.794563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.794563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.794563 (E_RNA) where: Base-Base interactions energy: -1360.750 where: short stacking energy: -574.572 Base-Backbone interact. energy: -2.491 local terms energy: -633.553406 where: bonds (distance) C4'-P energy: -134.487 bonds (distance) P-C4' energy: -131.061 flat angles C4'-P-C4' energy: -149.254 flat angles P-C4'-P energy: -90.792 tors. eta vs tors. theta energy: -127.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1828.205460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.205460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.205460 (E_RNA) where: Base-Base interactions energy: -1210.674 where: short stacking energy: -548.456 Base-Backbone interact. energy: 1.901 local terms energy: -619.432327 where: bonds (distance) C4'-P energy: -132.645 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -151.391 flat angles P-C4'-P energy: -85.392 tors. eta vs tors. theta energy: -105.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1409.967701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.967701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.967701 (E_RNA) where: Base-Base interactions energy: -889.564 where: short stacking energy: -412.463 Base-Backbone interact. energy: 1.380 local terms energy: -521.783709 where: bonds (distance) C4'-P energy: -119.312 bonds (distance) P-C4' energy: -145.230 flat angles C4'-P-C4' energy: -122.045 flat angles P-C4'-P energy: -77.624 tors. eta vs tors. theta energy: -57.573 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: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1216.765124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.765124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.765124 (E_RNA) where: Base-Base interactions energy: -739.486 where: short stacking energy: -394.651 Base-Backbone interact. energy: -3.200 local terms energy: -474.079194 where: bonds (distance) C4'-P energy: -99.310 bonds (distance) P-C4' energy: -143.744 flat angles C4'-P-C4' energy: -116.658 flat angles P-C4'-P energy: -66.704 tors. eta vs tors. theta energy: -47.665 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: 10 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3055.081058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.081058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.081058 (E_RNA) where: Base-Base interactions energy: -2166.219 where: short stacking energy: -908.923 Base-Backbone interact. energy: -3.496 local terms energy: -885.366161 where: bonds (distance) C4'-P energy: -156.418 bonds (distance) P-C4' energy: -159.289 flat angles C4'-P-C4' energy: -189.604 flat angles P-C4'-P energy: -121.113 tors. eta vs tors. theta energy: -258.943 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: 461 Temperature: 0.950000 Total energy: -2953.815092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.815092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.815092 (E_RNA) where: Base-Base interactions energy: -2063.505 where: short stacking energy: -862.946 Base-Backbone interact. energy: -2.420 local terms energy: -887.889912 where: bonds (distance) C4'-P energy: -165.061 bonds (distance) P-C4' energy: -165.109 flat angles C4'-P-C4' energy: -192.952 flat angles P-C4'-P energy: -127.005 tors. eta vs tors. theta energy: -237.763 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: 2 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -2802.767490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.767490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.767490 (E_RNA) where: Base-Base interactions energy: -1964.642 where: short stacking energy: -858.465 Base-Backbone interact. energy: -3.333 local terms energy: -834.792651 where: bonds (distance) C4'-P energy: -146.160 bonds (distance) P-C4' energy: -166.040 flat angles C4'-P-C4' energy: -184.505 flat angles P-C4'-P energy: -108.964 tors. eta vs tors. theta energy: -229.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2675.722064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.722064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.722064 (E_RNA) where: Base-Base interactions energy: -1854.758 where: short stacking energy: -809.506 Base-Backbone interact. energy: -2.968 local terms energy: -817.996265 where: bonds (distance) C4'-P energy: -142.192 bonds (distance) P-C4' energy: -144.639 flat angles C4'-P-C4' energy: -182.492 flat angles P-C4'-P energy: -109.127 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: 5, replica: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2510.931577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.931577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.931577 (E_RNA) where: Base-Base interactions energy: -1772.798 where: short stacking energy: -761.799 Base-Backbone interact. energy: -2.802 local terms energy: -735.331953 where: bonds (distance) C4'-P energy: -123.730 bonds (distance) P-C4' energy: -156.708 flat angles C4'-P-C4' energy: -161.337 flat angles P-C4'-P energy: -95.601 tors. eta vs tors. theta energy: -197.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2278.872053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.872053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.872053 (E_RNA) where: Base-Base interactions energy: -1555.088 where: short stacking energy: -664.472 Base-Backbone interact. energy: -3.249 local terms energy: -720.535681 where: bonds (distance) C4'-P energy: -156.423 bonds (distance) P-C4' energy: -146.334 flat angles C4'-P-C4' energy: -143.843 flat angles P-C4'-P energy: -105.359 tors. eta vs tors. theta energy: -168.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1973.468549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.468549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.468549 (E_RNA) where: Base-Base interactions energy: -1319.224 where: short stacking energy: -586.001 Base-Backbone interact. energy: -5.258 local terms energy: -648.985943 where: bonds (distance) C4'-P energy: -110.380 bonds (distance) P-C4' energy: -144.536 flat angles C4'-P-C4' energy: -157.270 flat angles P-C4'-P energy: -96.209 tors. eta vs tors. theta energy: -140.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1892.017760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.017760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.017760 (E_RNA) where: Base-Base interactions energy: -1263.613 where: short stacking energy: -518.567 Base-Backbone interact. energy: 6.539 local terms energy: -634.943407 where: bonds (distance) C4'-P energy: -162.631 bonds (distance) P-C4' energy: -146.291 flat angles C4'-P-C4' energy: -142.496 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -92.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1476.284347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.284347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.284347 (E_RNA) where: Base-Base interactions energy: -919.140 where: short stacking energy: -422.273 Base-Backbone interact. energy: 2.652 local terms energy: -559.795514 where: bonds (distance) C4'-P energy: -124.053 bonds (distance) P-C4' energy: -141.724 flat angles C4'-P-C4' energy: -144.365 flat angles P-C4'-P energy: -85.908 tors. eta vs tors. theta energy: -63.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1142.543511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.543511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.543511 (E_RNA) where: Base-Base interactions energy: -656.122 where: short stacking energy: -339.525 Base-Backbone interact. energy: -1.268 local terms energy: -485.153865 where: bonds (distance) C4'-P energy: -126.800 bonds (distance) P-C4' energy: -147.177 flat angles C4'-P-C4' energy: -117.433 flat angles P-C4'-P energy: -74.546 tors. eta vs tors. theta energy: -19.198 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: 10 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3056.741394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.741394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.741394 (E_RNA) where: Base-Base interactions energy: -2174.574 where: short stacking energy: -919.791 Base-Backbone interact. energy: -3.166 local terms energy: -879.001224 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -179.553 flat angles C4'-P-C4' energy: -185.101 flat angles P-C4'-P energy: -119.225 tors. eta vs tors. theta energy: -256.838 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: 462 Temperature: 0.950000 Total energy: -2952.148226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.148226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.148226 (E_RNA) where: Base-Base interactions energy: -2069.591 where: short stacking energy: -865.730 Base-Backbone interact. energy: -4.427 local terms energy: -878.129892 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -164.245 flat angles C4'-P-C4' energy: -184.314 flat angles P-C4'-P energy: -135.536 tors. eta vs tors. theta energy: -246.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -2817.798756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.798756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.798756 (E_RNA) where: Base-Base interactions energy: -1949.431 where: short stacking energy: -828.393 Base-Backbone interact. energy: -2.735 local terms energy: -865.633053 where: bonds (distance) C4'-P energy: -161.445 bonds (distance) P-C4' energy: -147.437 flat angles C4'-P-C4' energy: -197.311 flat angles P-C4'-P energy: -125.772 tors. eta vs tors. theta energy: -233.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2698.200287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.200287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.200287 (E_RNA) where: Base-Base interactions energy: -1866.501 where: short stacking energy: -819.788 Base-Backbone interact. energy: -2.267 local terms energy: -829.432549 where: bonds (distance) C4'-P energy: -146.920 bonds (distance) P-C4' energy: -164.920 flat angles C4'-P-C4' energy: -182.210 flat angles P-C4'-P energy: -102.445 tors. eta vs tors. theta energy: -232.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2518.428830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.428830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.428830 (E_RNA) where: Base-Base interactions energy: -1732.727 where: short stacking energy: -744.050 Base-Backbone interact. energy: -1.813 local terms energy: -783.888369 where: bonds (distance) C4'-P energy: -156.743 bonds (distance) P-C4' energy: -150.347 flat angles C4'-P-C4' energy: -180.499 flat angles P-C4'-P energy: -101.119 tors. eta vs tors. theta energy: -195.181 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: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2310.884902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.884902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.884902 (E_RNA) where: Base-Base interactions energy: -1602.409 where: short stacking energy: -662.883 Base-Backbone interact. energy: -3.712 local terms energy: -704.764489 where: bonds (distance) C4'-P energy: -140.893 bonds (distance) P-C4' energy: -145.997 flat angles C4'-P-C4' energy: -152.131 flat angles P-C4'-P energy: -98.162 tors. eta vs tors. theta energy: -167.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1976.391981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.391981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.391981 (E_RNA) where: Base-Base interactions energy: -1329.878 where: short stacking energy: -556.368 Base-Backbone interact. energy: 8.133 local terms energy: -654.647432 where: bonds (distance) C4'-P energy: -118.121 bonds (distance) P-C4' energy: -158.403 flat angles C4'-P-C4' energy: -149.539 flat angles P-C4'-P energy: -102.296 tors. eta vs tors. theta energy: -126.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1953.309734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.309734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.309734 (E_RNA) where: Base-Base interactions energy: -1311.312 where: short stacking energy: -574.572 Base-Backbone interact. energy: -2.503 local terms energy: -639.495203 where: bonds (distance) C4'-P energy: -129.663 bonds (distance) P-C4' energy: -136.674 flat angles C4'-P-C4' energy: -154.389 flat angles P-C4'-P energy: -98.137 tors. eta vs tors. theta energy: -120.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1434.575551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.575551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.575551 (E_RNA) where: Base-Base interactions energy: -882.798 where: short stacking energy: -400.931 Base-Backbone interact. energy: 1.577 local terms energy: -553.354481 where: bonds (distance) C4'-P energy: -129.348 bonds (distance) P-C4' energy: -136.365 flat angles C4'-P-C4' energy: -143.499 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -67.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1207.382573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.382573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.382573 (E_RNA) where: Base-Base interactions energy: -748.075 where: short stacking energy: -343.447 Base-Backbone interact. energy: 0.337 local terms energy: -459.644383 where: bonds (distance) C4'-P energy: -111.309 bonds (distance) P-C4' energy: -132.742 flat angles C4'-P-C4' energy: -120.511 flat angles P-C4'-P energy: -63.395 tors. eta vs tors. theta energy: -31.688 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: 10 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3084.379271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.379271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.379271 (E_RNA) where: Base-Base interactions energy: -2217.299 where: short stacking energy: -916.366 Base-Backbone interact. energy: -1.041 local terms energy: -866.038856 where: bonds (distance) C4'-P energy: -164.514 bonds (distance) P-C4' energy: -149.928 flat angles C4'-P-C4' energy: -185.051 flat angles P-C4'-P energy: -109.964 tors. eta vs tors. theta energy: -256.582 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: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -2970.934306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.934306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.934306 (E_RNA) where: Base-Base interactions energy: -2078.016 where: short stacking energy: -874.980 Base-Backbone interact. energy: -4.366 local terms energy: -888.552397 where: bonds (distance) C4'-P energy: -151.601 bonds (distance) P-C4' energy: -167.309 flat angles C4'-P-C4' energy: -199.582 flat angles P-C4'-P energy: -116.712 tors. eta vs tors. theta energy: -253.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -2835.536795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.536795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.536795 (E_RNA) where: Base-Base interactions energy: -1957.788 where: short stacking energy: -838.219 Base-Backbone interact. energy: -3.332 local terms energy: -874.416666 where: bonds (distance) C4'-P energy: -157.734 bonds (distance) P-C4' energy: -172.003 flat angles C4'-P-C4' energy: -180.130 flat angles P-C4'-P energy: -124.629 tors. eta vs tors. theta energy: -239.921 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: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2695.728184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.728184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.728184 (E_RNA) where: Base-Base interactions energy: -1878.583 where: short stacking energy: -832.553 Base-Backbone interact. energy: 3.910 local terms energy: -821.055442 where: bonds (distance) C4'-P energy: -153.672 bonds (distance) P-C4' energy: -153.300 flat angles C4'-P-C4' energy: -173.398 flat angles P-C4'-P energy: -109.886 tors. eta vs tors. theta energy: -230.799 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: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2514.965203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.965203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.965203 (E_RNA) where: Base-Base interactions energy: -1768.734 where: short stacking energy: -737.515 Base-Backbone interact. energy: 1.374 local terms energy: -747.605902 where: bonds (distance) C4'-P energy: -123.233 bonds (distance) P-C4' energy: -155.810 flat angles C4'-P-C4' energy: -168.008 flat angles P-C4'-P energy: -115.569 tors. eta vs tors. theta energy: -184.985 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: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2286.221678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.221678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.221678 (E_RNA) where: Base-Base interactions energy: -1568.307 where: short stacking energy: -661.670 Base-Backbone interact. energy: 0.197 local terms energy: -718.111600 where: bonds (distance) C4'-P energy: -135.523 bonds (distance) P-C4' energy: -154.335 flat angles C4'-P-C4' energy: -157.454 flat angles P-C4'-P energy: -106.094 tors. eta vs tors. theta energy: -164.706 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: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2023.079659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.079659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.079659 (E_RNA) where: Base-Base interactions energy: -1351.739 where: short stacking energy: -573.477 Base-Backbone interact. energy: 1.413 local terms energy: -672.753140 where: bonds (distance) C4'-P energy: -131.037 bonds (distance) P-C4' energy: -155.337 flat angles C4'-P-C4' energy: -151.695 flat angles P-C4'-P energy: -104.241 tors. eta vs tors. theta energy: -130.444 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: 8 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1905.273982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.273982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.273982 (E_RNA) where: Base-Base interactions energy: -1283.056 where: short stacking energy: -567.011 Base-Backbone interact. energy: -2.860 local terms energy: -619.357871 where: bonds (distance) C4'-P energy: -115.507 bonds (distance) P-C4' energy: -148.002 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -95.666 tors. eta vs tors. theta energy: -105.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1414.239652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.239652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.239652 (E_RNA) where: Base-Base interactions energy: -884.052 where: short stacking energy: -353.507 Base-Backbone interact. energy: -2.458 local terms energy: -527.729720 where: bonds (distance) C4'-P energy: -140.935 bonds (distance) P-C4' energy: -154.837 flat angles C4'-P-C4' energy: -129.134 flat angles P-C4'-P energy: -81.482 tors. eta vs tors. theta energy: -21.342 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: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1210.883354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.883354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.883354 (E_RNA) where: Base-Base interactions energy: -703.142 where: short stacking energy: -334.094 Base-Backbone interact. energy: -2.553 local terms energy: -505.187824 where: bonds (distance) C4'-P energy: -127.375 bonds (distance) P-C4' energy: -140.532 flat angles C4'-P-C4' energy: -117.723 flat angles P-C4'-P energy: -82.743 tors. eta vs tors. theta energy: -36.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3074.383436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.383436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.383436 (E_RNA) where: Base-Base interactions energy: -2154.799 where: short stacking energy: -873.429 Base-Backbone interact. energy: -4.607 local terms energy: -914.976897 where: bonds (distance) C4'-P energy: -168.810 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -198.307 flat angles P-C4'-P energy: -130.405 tors. eta vs tors. theta energy: -250.914 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: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -2980.998729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.998729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.998729 (E_RNA) where: Base-Base interactions energy: -2064.222 where: short stacking energy: -902.596 Base-Backbone interact. energy: -0.683 local terms energy: -916.093720 where: bonds (distance) C4'-P energy: -155.792 bonds (distance) P-C4' energy: -174.604 flat angles C4'-P-C4' energy: -202.780 flat angles P-C4'-P energy: -119.018 tors. eta vs tors. theta energy: -263.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -2871.171541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.171541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.171541 (E_RNA) where: Base-Base interactions energy: -2013.224 where: short stacking energy: -868.579 Base-Backbone interact. energy: -3.040 local terms energy: -854.907526 where: bonds (distance) C4'-P energy: -140.397 bonds (distance) P-C4' energy: -149.813 flat angles C4'-P-C4' energy: -179.730 flat angles P-C4'-P energy: -136.298 tors. eta vs tors. theta energy: -248.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2683.180277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.180277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.180277 (E_RNA) where: Base-Base interactions energy: -1865.886 where: short stacking energy: -806.390 Base-Backbone interact. energy: 0.903 local terms energy: -818.197368 where: bonds (distance) C4'-P energy: -137.706 bonds (distance) P-C4' energy: -153.784 flat angles C4'-P-C4' energy: -183.757 flat angles P-C4'-P energy: -115.991 tors. eta vs tors. theta energy: -226.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2519.749447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.749447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.749447 (E_RNA) where: Base-Base interactions energy: -1737.272 where: short stacking energy: -733.400 Base-Backbone interact. energy: -3.652 local terms energy: -778.825218 where: bonds (distance) C4'-P energy: -149.488 bonds (distance) P-C4' energy: -142.124 flat angles C4'-P-C4' energy: -176.858 flat angles P-C4'-P energy: -105.190 tors. eta vs tors. theta energy: -205.166 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: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2326.482030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.482030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.482030 (E_RNA) where: Base-Base interactions energy: -1622.450 where: short stacking energy: -676.327 Base-Backbone interact. energy: -3.198 local terms energy: -700.833506 where: bonds (distance) C4'-P energy: -142.499 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -150.921 flat angles P-C4'-P energy: -87.079 tors. eta vs tors. theta energy: -182.511 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: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1984.900031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.900031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.900031 (E_RNA) where: Base-Base interactions energy: -1335.370 where: short stacking energy: -593.055 Base-Backbone interact. energy: -0.871 local terms energy: -648.658733 where: bonds (distance) C4'-P energy: -117.831 bonds (distance) P-C4' energy: -150.351 flat angles C4'-P-C4' energy: -147.717 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -130.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1891.911238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.911238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.911238 (E_RNA) where: Base-Base interactions energy: -1257.835 where: short stacking energy: -529.008 Base-Backbone interact. energy: 0.100 local terms energy: -634.176465 where: bonds (distance) C4'-P energy: -118.117 bonds (distance) P-C4' energy: -159.431 flat angles C4'-P-C4' energy: -138.662 flat angles P-C4'-P energy: -103.056 tors. eta vs tors. theta energy: -114.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1444.989822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.989822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.989822 (E_RNA) where: Base-Base interactions energy: -898.586 where: short stacking energy: -420.491 Base-Backbone interact. energy: -1.994 local terms energy: -544.410065 where: bonds (distance) C4'-P energy: -131.940 bonds (distance) P-C4' energy: -151.459 flat angles C4'-P-C4' energy: -117.596 flat angles P-C4'-P energy: -77.774 tors. eta vs tors. theta energy: -65.642 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1234.942548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.942548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.942548 (E_RNA) where: Base-Base interactions energy: -723.734 where: short stacking energy: -359.911 Base-Backbone interact. energy: -1.356 local terms energy: -509.852724 where: bonds (distance) C4'-P energy: -124.115 bonds (distance) P-C4' energy: -134.599 flat angles C4'-P-C4' energy: -143.455 flat angles P-C4'-P energy: -78.825 tors. eta vs tors. theta energy: -28.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3085.978221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.978221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.978221 (E_RNA) where: Base-Base interactions energy: -2173.277 where: short stacking energy: -881.023 Base-Backbone interact. energy: -1.006 local terms energy: -911.694727 where: bonds (distance) C4'-P energy: -168.515 bonds (distance) P-C4' energy: -166.457 flat angles C4'-P-C4' energy: -198.944 flat angles P-C4'-P energy: -123.786 tors. eta vs tors. theta energy: -253.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -2933.440459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.440459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.440459 (E_RNA) where: Base-Base interactions energy: -2066.884 where: short stacking energy: -900.228 Base-Backbone interact. energy: -1.317 local terms energy: -865.238749 where: bonds (distance) C4'-P energy: -154.434 bonds (distance) P-C4' energy: -160.780 flat angles C4'-P-C4' energy: -180.952 flat angles P-C4'-P energy: -122.532 tors. eta vs tors. theta energy: -246.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -2833.617103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.617103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.617103 (E_RNA) where: Base-Base interactions energy: -1976.994 where: short stacking energy: -842.563 Base-Backbone interact. energy: -0.221 local terms energy: -856.401829 where: bonds (distance) C4'-P energy: -155.691 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -177.993 flat angles P-C4'-P energy: -123.186 tors. eta vs tors. theta energy: -245.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2678.451642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.451642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.451642 (E_RNA) where: Base-Base interactions energy: -1836.632 where: short stacking energy: -787.488 Base-Backbone interact. energy: -5.189 local terms energy: -836.630538 where: bonds (distance) C4'-P energy: -150.104 bonds (distance) P-C4' energy: -175.891 flat angles C4'-P-C4' energy: -175.564 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -222.724 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: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2542.321893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.321893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.321893 (E_RNA) where: Base-Base interactions energy: -1738.687 where: short stacking energy: -738.238 Base-Backbone interact. energy: -1.884 local terms energy: -801.750262 where: bonds (distance) C4'-P energy: -142.440 bonds (distance) P-C4' energy: -170.183 flat angles C4'-P-C4' energy: -175.250 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -200.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2288.932991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.932991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.932991 (E_RNA) where: Base-Base interactions energy: -1565.477 where: short stacking energy: -692.025 Base-Backbone interact. energy: -3.478 local terms energy: -719.977784 where: bonds (distance) C4'-P energy: -128.954 bonds (distance) P-C4' energy: -149.996 flat angles C4'-P-C4' energy: -166.441 flat angles P-C4'-P energy: -108.518 tors. eta vs tors. theta energy: -166.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1987.529846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.529846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.529846 (E_RNA) where: Base-Base interactions energy: -1308.214 where: short stacking energy: -565.363 Base-Backbone interact. energy: -0.027 local terms energy: -679.288355 where: bonds (distance) C4'-P energy: -118.777 bonds (distance) P-C4' energy: -165.519 flat angles C4'-P-C4' energy: -155.609 flat angles P-C4'-P energy: -110.252 tors. eta vs tors. theta energy: -129.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1809.189171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.189171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.189171 (E_RNA) where: Base-Base interactions energy: -1196.750 where: short stacking energy: -476.290 Base-Backbone interact. energy: 0.507 local terms energy: -612.945780 where: bonds (distance) C4'-P energy: -139.830 bonds (distance) P-C4' energy: -152.620 flat angles C4'-P-C4' energy: -161.010 flat angles P-C4'-P energy: -73.686 tors. eta vs tors. theta energy: -85.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1546.487412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.487412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.487412 (E_RNA) where: Base-Base interactions energy: -976.317 where: short stacking energy: -449.063 Base-Backbone interact. energy: -0.605 local terms energy: -569.564969 where: bonds (distance) C4'-P energy: -132.580 bonds (distance) P-C4' energy: -133.528 flat angles C4'-P-C4' energy: -144.069 flat angles P-C4'-P energy: -83.323 tors. eta vs tors. theta energy: -76.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1205.380899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.380899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.380899 (E_RNA) where: Base-Base interactions energy: -742.592 where: short stacking energy: -365.813 Base-Backbone interact. energy: 2.048 local terms energy: -464.836779 where: bonds (distance) C4'-P energy: -121.799 bonds (distance) P-C4' energy: -120.112 flat angles C4'-P-C4' energy: -118.759 flat angles P-C4'-P energy: -60.206 tors. eta vs tors. theta energy: -43.960 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3095.895198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.895198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.895198 (E_RNA) where: Base-Base interactions energy: -2168.865 where: short stacking energy: -890.285 Base-Backbone interact. energy: -3.321 local terms energy: -923.709848 where: bonds (distance) C4'-P energy: -175.461 bonds (distance) P-C4' energy: -170.388 flat angles C4'-P-C4' energy: -196.277 flat angles P-C4'-P energy: -132.831 tors. eta vs tors. theta energy: -248.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -2910.742931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.742931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.742931 (E_RNA) where: Base-Base interactions energy: -2012.745 where: short stacking energy: -873.121 Base-Backbone interact. energy: -1.494 local terms energy: -896.504151 where: bonds (distance) C4'-P energy: -159.823 bonds (distance) P-C4' energy: -168.940 flat angles C4'-P-C4' energy: -187.936 flat angles P-C4'-P energy: -135.248 tors. eta vs tors. theta energy: -244.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -2837.005618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.005618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.005618 (E_RNA) where: Base-Base interactions energy: -1993.035 where: short stacking energy: -839.100 Base-Backbone interact. energy: -2.077 local terms energy: -841.893314 where: bonds (distance) C4'-P energy: -140.280 bonds (distance) P-C4' energy: -156.862 flat angles C4'-P-C4' energy: -182.299 flat angles P-C4'-P energy: -119.801 tors. eta vs tors. theta energy: -242.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2636.335040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.335040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.335040 (E_RNA) where: Base-Base interactions energy: -1843.870 where: short stacking energy: -796.222 Base-Backbone interact. energy: -0.235 local terms energy: -792.229735 where: bonds (distance) C4'-P energy: -157.064 bonds (distance) P-C4' energy: -136.739 flat angles C4'-P-C4' energy: -170.575 flat angles P-C4'-P energy: -114.656 tors. eta vs tors. theta energy: -213.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2517.784866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.784866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.784866 (E_RNA) where: Base-Base interactions energy: -1774.250 where: short stacking energy: -761.556 Base-Backbone interact. energy: 2.871 local terms energy: -746.405553 where: bonds (distance) C4'-P energy: -138.866 bonds (distance) P-C4' energy: -136.024 flat angles C4'-P-C4' energy: -157.427 flat angles P-C4'-P energy: -117.427 tors. eta vs tors. theta energy: -196.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2299.515438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.515438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.515438 (E_RNA) where: Base-Base interactions energy: -1587.089 where: short stacking energy: -673.588 Base-Backbone interact. energy: -2.010 local terms energy: -710.416518 where: bonds (distance) C4'-P energy: -137.250 bonds (distance) P-C4' energy: -156.056 flat angles C4'-P-C4' energy: -169.438 flat angles P-C4'-P energy: -81.400 tors. eta vs tors. theta energy: -166.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2010.887383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.887383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.887383 (E_RNA) where: Base-Base interactions energy: -1355.550 where: short stacking energy: -576.247 Base-Backbone interact. energy: 1.139 local terms energy: -656.476407 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -142.995 flat angles C4'-P-C4' energy: -159.533 flat angles P-C4'-P energy: -83.019 tors. eta vs tors. theta energy: -145.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1826.770480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.770480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.770480 (E_RNA) where: Base-Base interactions energy: -1214.006 where: short stacking energy: -535.042 Base-Backbone interact. energy: 1.559 local terms energy: -614.324307 where: bonds (distance) C4'-P energy: -134.410 bonds (distance) P-C4' energy: -143.639 flat angles C4'-P-C4' energy: -128.029 flat angles P-C4'-P energy: -84.282 tors. eta vs tors. theta energy: -123.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1585.881699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.881699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.881699 (E_RNA) where: Base-Base interactions energy: -1018.318 where: short stacking energy: -474.229 Base-Backbone interact. energy: -3.656 local terms energy: -563.908017 where: bonds (distance) C4'-P energy: -121.664 bonds (distance) P-C4' energy: -141.680 flat angles C4'-P-C4' energy: -133.704 flat angles P-C4'-P energy: -85.001 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: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1206.063343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.063343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.063343 (E_RNA) where: Base-Base interactions energy: -715.244 where: short stacking energy: -320.213 Base-Backbone interact. energy: 8.221 local terms energy: -499.040091 where: bonds (distance) C4'-P energy: -128.846 bonds (distance) P-C4' energy: -135.790 flat angles C4'-P-C4' energy: -114.119 flat angles P-C4'-P energy: -85.894 tors. eta vs tors. theta energy: -34.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3058.917582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.917582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.917582 (E_RNA) where: Base-Base interactions energy: -2170.827 where: short stacking energy: -875.486 Base-Backbone interact. energy: -3.952 local terms energy: -884.138620 where: bonds (distance) C4'-P energy: -162.130 bonds (distance) P-C4' energy: -157.905 flat angles C4'-P-C4' energy: -187.706 flat angles P-C4'-P energy: -139.779 tors. eta vs tors. theta energy: -236.619 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: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -2900.529958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.529958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.529958 (E_RNA) where: Base-Base interactions energy: -2016.648 where: short stacking energy: -860.037 Base-Backbone interact. energy: -0.563 local terms energy: -883.319383 where: bonds (distance) C4'-P energy: -157.562 bonds (distance) P-C4' energy: -154.833 flat angles C4'-P-C4' energy: -198.944 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -243.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -2831.225292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.225292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.225292 (E_RNA) where: Base-Base interactions energy: -1965.162 where: short stacking energy: -855.862 Base-Backbone interact. energy: -1.379 local terms energy: -864.684845 where: bonds (distance) C4'-P energy: -135.301 bonds (distance) P-C4' energy: -159.242 flat angles C4'-P-C4' energy: -189.220 flat angles P-C4'-P energy: -135.042 tors. eta vs tors. theta energy: -245.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2655.548031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.548031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.548031 (E_RNA) where: Base-Base interactions energy: -1850.798 where: short stacking energy: -810.286 Base-Backbone interact. energy: -2.176 local terms energy: -802.573790 where: bonds (distance) C4'-P energy: -136.903 bonds (distance) P-C4' energy: -157.416 flat angles C4'-P-C4' energy: -176.436 flat angles P-C4'-P energy: -111.376 tors. eta vs tors. theta energy: -220.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2546.562994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.562994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.562994 (E_RNA) where: Base-Base interactions energy: -1758.781 where: short stacking energy: -782.693 Base-Backbone interact. energy: 0.148 local terms energy: -787.930395 where: bonds (distance) C4'-P energy: -140.114 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -183.093 flat angles P-C4'-P energy: -116.593 tors. eta vs tors. theta energy: -196.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2289.568783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.568783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.568783 (E_RNA) where: Base-Base interactions energy: -1599.606 where: short stacking energy: -686.243 Base-Backbone interact. energy: -2.017 local terms energy: -687.945047 where: bonds (distance) C4'-P energy: -141.134 bonds (distance) P-C4' energy: -129.545 flat angles C4'-P-C4' energy: -166.593 flat angles P-C4'-P energy: -86.886 tors. eta vs tors. theta energy: -163.787 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: 467 Temperature: 1.200000 Total energy: -2039.325403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.325403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.325403 (E_RNA) where: Base-Base interactions energy: -1361.917 where: short stacking energy: -583.089 Base-Backbone interact. energy: 9.052 local terms energy: -686.459933 where: bonds (distance) C4'-P energy: -141.282 bonds (distance) P-C4' energy: -142.259 flat angles C4'-P-C4' energy: -163.821 flat angles P-C4'-P energy: -105.064 tors. eta vs tors. theta energy: -134.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1844.866537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.866537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.866537 (E_RNA) where: Base-Base interactions energy: -1202.198 where: short stacking energy: -515.420 Base-Backbone interact. energy: 2.816 local terms energy: -645.484907 where: bonds (distance) C4'-P energy: -137.086 bonds (distance) P-C4' energy: -152.393 flat angles C4'-P-C4' energy: -161.532 flat angles P-C4'-P energy: -89.990 tors. eta vs tors. theta energy: -104.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1462.595733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.595733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.595733 (E_RNA) where: Base-Base interactions energy: -946.713 where: short stacking energy: -416.412 Base-Backbone interact. energy: 0.905 local terms energy: -516.788288 where: bonds (distance) C4'-P energy: -135.773 bonds (distance) P-C4' energy: -130.986 flat angles C4'-P-C4' energy: -127.482 flat angles P-C4'-P energy: -80.126 tors. eta vs tors. theta energy: -42.422 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: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1272.360200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.360200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.360200 (E_RNA) where: Base-Base interactions energy: -752.463 where: short stacking energy: -372.252 Base-Backbone interact. energy: 0.997 local terms energy: -520.894538 where: bonds (distance) C4'-P energy: -122.442 bonds (distance) P-C4' energy: -126.236 flat angles C4'-P-C4' energy: -121.852 flat angles P-C4'-P energy: -95.189 tors. eta vs tors. theta energy: -55.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3065.463329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.463329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.463329 (E_RNA) where: Base-Base interactions energy: -2195.035 where: short stacking energy: -884.125 Base-Backbone interact. energy: -2.621 local terms energy: -867.806656 where: bonds (distance) C4'-P energy: -150.959 bonds (distance) P-C4' energy: -154.504 flat angles C4'-P-C4' energy: -198.422 flat angles P-C4'-P energy: -120.954 tors. eta vs tors. theta energy: -242.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -2887.403702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.403702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.403702 (E_RNA) where: Base-Base interactions energy: -2024.772 where: short stacking energy: -851.516 Base-Backbone interact. energy: -3.244 local terms energy: -859.387276 where: bonds (distance) C4'-P energy: -162.411 bonds (distance) P-C4' energy: -160.674 flat angles C4'-P-C4' energy: -180.150 flat angles P-C4'-P energy: -112.457 tors. eta vs tors. theta energy: -243.695 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: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -2870.685503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.685503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.685503 (E_RNA) where: Base-Base interactions energy: -2006.449 where: short stacking energy: -866.301 Base-Backbone interact. energy: 5.273 local terms energy: -869.509834 where: bonds (distance) C4'-P energy: -159.084 bonds (distance) P-C4' energy: -164.776 flat angles C4'-P-C4' energy: -178.162 flat angles P-C4'-P energy: -117.366 tors. eta vs tors. theta energy: -250.121 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: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2699.412622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.412622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.412622 (E_RNA) where: Base-Base interactions energy: -1876.343 where: short stacking energy: -818.425 Base-Backbone interact. energy: -1.108 local terms energy: -821.961638 where: bonds (distance) C4'-P energy: -142.363 bonds (distance) P-C4' energy: -163.428 flat angles C4'-P-C4' energy: -193.533 flat angles P-C4'-P energy: -102.193 tors. eta vs tors. theta energy: -220.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2552.097023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.097023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.097023 (E_RNA) where: Base-Base interactions energy: -1775.714 where: short stacking energy: -764.382 Base-Backbone interact. energy: 4.362 local terms energy: -780.745598 where: bonds (distance) C4'-P energy: -158.829 bonds (distance) P-C4' energy: -128.949 flat angles C4'-P-C4' energy: -177.315 flat angles P-C4'-P energy: -111.964 tors. eta vs tors. theta energy: -203.689 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2305.736077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.736077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.736077 (E_RNA) where: Base-Base interactions energy: -1606.550 where: short stacking energy: -659.206 Base-Backbone interact. energy: -1.254 local terms energy: -697.932008 where: bonds (distance) C4'-P energy: -114.974 bonds (distance) P-C4' energy: -156.787 flat angles C4'-P-C4' energy: -151.870 flat angles P-C4'-P energy: -115.548 tors. eta vs tors. theta energy: -158.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2018.579724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.579724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.579724 (E_RNA) where: Base-Base interactions energy: -1339.621 where: short stacking energy: -589.369 Base-Backbone interact. energy: 4.623 local terms energy: -683.581454 where: bonds (distance) C4'-P energy: -127.454 bonds (distance) P-C4' energy: -157.637 flat angles C4'-P-C4' energy: -168.914 flat angles P-C4'-P energy: -99.422 tors. eta vs tors. theta energy: -130.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1770.930179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.930179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.930179 (E_RNA) where: Base-Base interactions energy: -1142.124 where: short stacking energy: -486.913 Base-Backbone interact. energy: 0.789 local terms energy: -629.595213 where: bonds (distance) C4'-P energy: -152.131 bonds (distance) P-C4' energy: -149.860 flat angles C4'-P-C4' energy: -138.592 flat angles P-C4'-P energy: -84.165 tors. eta vs tors. theta energy: -104.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1448.332643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.332643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.332643 (E_RNA) where: Base-Base interactions energy: -943.137 where: short stacking energy: -419.451 Base-Backbone interact. energy: -0.140 local terms energy: -505.055709 where: bonds (distance) C4'-P energy: -119.481 bonds (distance) P-C4' energy: -129.999 flat angles C4'-P-C4' energy: -121.269 flat angles P-C4'-P energy: -70.304 tors. eta vs tors. theta energy: -64.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1266.129819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.129819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.129819 (E_RNA) where: Base-Base interactions energy: -778.969 where: short stacking energy: -359.064 Base-Backbone interact. energy: 3.948 local terms energy: -491.108801 where: bonds (distance) C4'-P energy: -113.090 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -123.586 flat angles P-C4'-P energy: -75.097 tors. eta vs tors. theta energy: -36.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3101.008118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.008118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.008118 (E_RNA) where: Base-Base interactions energy: -2198.820 where: short stacking energy: -887.493 Base-Backbone interact. energy: -2.302 local terms energy: -899.886732 where: bonds (distance) C4'-P energy: -165.569 bonds (distance) P-C4' energy: -154.742 flat angles C4'-P-C4' energy: -191.058 flat angles P-C4'-P energy: -138.502 tors. eta vs tors. theta energy: -250.015 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: 469 Temperature: 0.950000 Total energy: -2929.956687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.956687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.956687 (E_RNA) where: Base-Base interactions energy: -2033.110 where: short stacking energy: -868.649 Base-Backbone interact. energy: -1.665 local terms energy: -895.182392 where: bonds (distance) C4'-P energy: -155.239 bonds (distance) P-C4' energy: -160.408 flat angles C4'-P-C4' energy: -197.122 flat angles P-C4'-P energy: -123.951 tors. eta vs tors. theta energy: -258.463 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: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -2885.324665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.324665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.324665 (E_RNA) where: Base-Base interactions energy: -2023.296 where: short stacking energy: -859.622 Base-Backbone interact. energy: -1.281 local terms energy: -860.747459 where: bonds (distance) C4'-P energy: -144.208 bonds (distance) P-C4' energy: -158.445 flat angles C4'-P-C4' energy: -193.288 flat angles P-C4'-P energy: -115.953 tors. eta vs tors. theta energy: -248.853 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: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2648.916726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.916726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.916726 (E_RNA) where: Base-Base interactions energy: -1860.391 where: short stacking energy: -800.240 Base-Backbone interact. energy: -0.704 local terms energy: -787.821656 where: bonds (distance) C4'-P energy: -113.063 bonds (distance) P-C4' energy: -149.153 flat angles C4'-P-C4' energy: -179.309 flat angles P-C4'-P energy: -115.673 tors. eta vs tors. theta energy: -230.623 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2577.938267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.938267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.938267 (E_RNA) where: Base-Base interactions energy: -1758.992 where: short stacking energy: -748.848 Base-Backbone interact. energy: -0.436 local terms energy: -818.510805 where: bonds (distance) C4'-P energy: -151.902 bonds (distance) P-C4' energy: -156.203 flat angles C4'-P-C4' energy: -185.822 flat angles P-C4'-P energy: -114.268 tors. eta vs tors. theta energy: -210.316 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: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2297.071225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.071225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.071225 (E_RNA) where: Base-Base interactions energy: -1594.045 where: short stacking energy: -661.792 Base-Backbone interact. energy: -1.130 local terms energy: -701.895447 where: bonds (distance) C4'-P energy: -125.719 bonds (distance) P-C4' energy: -144.993 flat angles C4'-P-C4' energy: -162.006 flat angles P-C4'-P energy: -110.253 tors. eta vs tors. theta energy: -158.925 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: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2015.774074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.774074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.774074 (E_RNA) where: Base-Base interactions energy: -1345.444 where: short stacking energy: -595.078 Base-Backbone interact. energy: -3.357 local terms energy: -666.972804 where: bonds (distance) C4'-P energy: -130.764 bonds (distance) P-C4' energy: -140.044 flat angles C4'-P-C4' energy: -163.978 flat angles P-C4'-P energy: -100.844 tors. eta vs tors. theta energy: -131.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1727.581338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.581338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.581338 (E_RNA) where: Base-Base interactions energy: -1155.490 where: short stacking energy: -517.198 Base-Backbone interact. energy: -0.660 local terms energy: -571.431840 where: bonds (distance) C4'-P energy: -125.027 bonds (distance) P-C4' energy: -132.230 flat angles C4'-P-C4' energy: -121.146 flat angles P-C4'-P energy: -95.489 tors. eta vs tors. theta energy: -97.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1436.372846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.372846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.372846 (E_RNA) where: Base-Base interactions energy: -924.546 where: short stacking energy: -424.285 Base-Backbone interact. energy: 0.184 local terms energy: -512.010768 where: bonds (distance) C4'-P energy: -119.125 bonds (distance) P-C4' energy: -131.260 flat angles C4'-P-C4' energy: -119.714 flat angles P-C4'-P energy: -75.693 tors. eta vs tors. theta energy: -66.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1324.372719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.372719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.372719 (E_RNA) where: Base-Base interactions energy: -791.510 where: short stacking energy: -380.939 Base-Backbone interact. energy: -0.306 local terms energy: -532.556797 where: bonds (distance) C4'-P energy: -136.861 bonds (distance) P-C4' energy: -143.940 flat angles C4'-P-C4' energy: -137.042 flat angles P-C4'-P energy: -67.117 tors. eta vs tors. theta energy: -47.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3077.928134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.928134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.928134 (E_RNA) where: Base-Base interactions energy: -2177.660 where: short stacking energy: -893.546 Base-Backbone interact. energy: -1.156 local terms energy: -899.111447 where: bonds (distance) C4'-P energy: -167.363 bonds (distance) P-C4' energy: -167.914 flat angles C4'-P-C4' energy: -193.079 flat angles P-C4'-P energy: -123.648 tors. eta vs tors. theta energy: -247.108 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: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -2915.613881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.613881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.613881 (E_RNA) where: Base-Base interactions energy: -2026.942 where: short stacking energy: -842.955 Base-Backbone interact. energy: -5.313 local terms energy: -883.358571 where: bonds (distance) C4'-P energy: -154.169 bonds (distance) P-C4' energy: -157.330 flat angles C4'-P-C4' energy: -189.352 flat angles P-C4'-P energy: -133.660 tors. eta vs tors. theta energy: -248.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -2873.859021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.859021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.859021 (E_RNA) where: Base-Base interactions energy: -2009.242 where: short stacking energy: -851.909 Base-Backbone interact. energy: -0.384 local terms energy: -864.233034 where: bonds (distance) C4'-P energy: -144.885 bonds (distance) P-C4' energy: -170.774 flat angles C4'-P-C4' energy: -185.167 flat angles P-C4'-P energy: -119.138 tors. eta vs tors. theta energy: -244.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2710.032609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.032609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.032609 (E_RNA) where: Base-Base interactions energy: -1890.459 where: short stacking energy: -823.401 Base-Backbone interact. energy: -0.400 local terms energy: -819.172815 where: bonds (distance) C4'-P energy: -160.253 bonds (distance) P-C4' energy: -137.858 flat angles C4'-P-C4' energy: -188.003 flat angles P-C4'-P energy: -96.410 tors. eta vs tors. theta energy: -236.649 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: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2554.876516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.876516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.876516 (E_RNA) where: Base-Base interactions energy: -1769.173 where: short stacking energy: -768.174 Base-Backbone interact. energy: -2.890 local terms energy: -782.813142 where: bonds (distance) C4'-P energy: -140.958 bonds (distance) P-C4' energy: -161.594 flat angles C4'-P-C4' energy: -166.570 flat angles P-C4'-P energy: -100.165 tors. eta vs tors. theta energy: -213.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2315.078891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.078891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.078891 (E_RNA) where: Base-Base interactions energy: -1589.939 where: short stacking energy: -689.063 Base-Backbone interact. energy: -0.290 local terms energy: -724.850313 where: bonds (distance) C4'-P energy: -172.556 bonds (distance) P-C4' energy: -148.765 flat angles C4'-P-C4' energy: -148.605 flat angles P-C4'-P energy: -81.100 tors. eta vs tors. theta energy: -173.824 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: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1970.043372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.043372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.043372 (E_RNA) where: Base-Base interactions energy: -1334.835 where: short stacking energy: -589.246 Base-Backbone interact. energy: 0.484 local terms energy: -635.691859 where: bonds (distance) C4'-P energy: -140.668 bonds (distance) P-C4' energy: -135.848 flat angles C4'-P-C4' energy: -147.411 flat angles P-C4'-P energy: -93.633 tors. eta vs tors. theta energy: -118.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1792.584452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.584452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.584452 (E_RNA) where: Base-Base interactions energy: -1164.637 where: short stacking energy: -499.376 Base-Backbone interact. energy: 1.098 local terms energy: -629.045002 where: bonds (distance) C4'-P energy: -144.452 bonds (distance) P-C4' energy: -120.863 flat angles C4'-P-C4' energy: -155.532 flat angles P-C4'-P energy: -101.766 tors. eta vs tors. theta energy: -106.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1440.613108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.613108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.613108 (E_RNA) where: Base-Base interactions energy: -906.427 where: short stacking energy: -426.052 Base-Backbone interact. energy: -0.707 local terms energy: -533.479590 where: bonds (distance) C4'-P energy: -127.248 bonds (distance) P-C4' energy: -124.186 flat angles C4'-P-C4' energy: -128.808 flat angles P-C4'-P energy: -75.435 tors. eta vs tors. theta energy: -77.803 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1313.625482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.625482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.625482 (E_RNA) where: Base-Base interactions energy: -811.294 where: short stacking energy: -370.535 Base-Backbone interact. energy: -1.140 local terms energy: -501.191503 where: bonds (distance) C4'-P energy: -134.666 bonds (distance) P-C4' energy: -133.259 flat angles C4'-P-C4' energy: -129.408 flat angles P-C4'-P energy: -58.052 tors. eta vs tors. theta energy: -45.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3086.852511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.852511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.852511 (E_RNA) where: Base-Base interactions energy: -2187.191 where: short stacking energy: -901.524 Base-Backbone interact. energy: -1.682 local terms energy: -897.978910 where: bonds (distance) C4'-P energy: -148.739 bonds (distance) P-C4' energy: -172.784 flat angles C4'-P-C4' energy: -200.615 flat angles P-C4'-P energy: -126.482 tors. eta vs tors. theta energy: -249.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -2913.683297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.683297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.683297 (E_RNA) where: Base-Base interactions energy: -2040.748 where: short stacking energy: -877.975 Base-Backbone interact. energy: -4.867 local terms energy: -868.069173 where: bonds (distance) C4'-P energy: -164.729 bonds (distance) P-C4' energy: -154.114 flat angles C4'-P-C4' energy: -179.528 flat angles P-C4'-P energy: -128.308 tors. eta vs tors. theta energy: -241.391 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: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -2863.169205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.169205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.169205 (E_RNA) where: Base-Base interactions energy: -2012.548 where: short stacking energy: -863.946 Base-Backbone interact. energy: 1.459 local terms energy: -852.080207 where: bonds (distance) C4'-P energy: -146.766 bonds (distance) P-C4' energy: -165.251 flat angles C4'-P-C4' energy: -178.484 flat angles P-C4'-P energy: -113.901 tors. eta vs tors. theta energy: -247.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2691.082862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.082862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.082862 (E_RNA) where: Base-Base interactions energy: -1887.406 where: short stacking energy: -808.930 Base-Backbone interact. energy: -5.790 local terms energy: -797.886489 where: bonds (distance) C4'-P energy: -153.713 bonds (distance) P-C4' energy: -127.178 flat angles C4'-P-C4' energy: -188.420 flat angles P-C4'-P energy: -107.540 tors. eta vs tors. theta energy: -221.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2546.944452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.944452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.944452 (E_RNA) where: Base-Base interactions energy: -1776.098 where: short stacking energy: -788.188 Base-Backbone interact. energy: 2.643 local terms energy: -773.489407 where: bonds (distance) C4'-P energy: -130.096 bonds (distance) P-C4' energy: -140.456 flat angles C4'-P-C4' energy: -175.554 flat angles P-C4'-P energy: -113.936 tors. eta vs tors. theta energy: -213.449 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2294.508525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.508525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.508525 (E_RNA) where: Base-Base interactions energy: -1568.891 where: short stacking energy: -660.360 Base-Backbone interact. energy: -1.323 local terms energy: -724.295137 where: bonds (distance) C4'-P energy: -145.884 bonds (distance) P-C4' energy: -136.673 flat angles C4'-P-C4' energy: -175.192 flat angles P-C4'-P energy: -92.480 tors. eta vs tors. theta energy: -174.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1902.628658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.628658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.628658 (E_RNA) where: Base-Base interactions energy: -1260.742 where: short stacking energy: -567.581 Base-Backbone interact. energy: -1.421 local terms energy: -640.465707 where: bonds (distance) C4'-P energy: -128.176 bonds (distance) P-C4' energy: -153.835 flat angles C4'-P-C4' energy: -140.997 flat angles P-C4'-P energy: -92.311 tors. eta vs tors. theta energy: -125.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1806.098034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.098034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.098034 (E_RNA) where: Base-Base interactions energy: -1176.389 where: short stacking energy: -529.592 Base-Backbone interact. energy: -4.039 local terms energy: -625.670590 where: bonds (distance) C4'-P energy: -128.328 bonds (distance) P-C4' energy: -143.362 flat angles C4'-P-C4' energy: -155.721 flat angles P-C4'-P energy: -96.775 tors. eta vs tors. theta energy: -101.485 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: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1434.963230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.963230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.963230 (E_RNA) where: Base-Base interactions energy: -896.955 where: short stacking energy: -388.774 Base-Backbone interact. energy: 5.634 local terms energy: -543.641604 where: bonds (distance) C4'-P energy: -130.758 bonds (distance) P-C4' energy: -145.994 flat angles C4'-P-C4' energy: -136.377 flat angles P-C4'-P energy: -75.337 tors. eta vs tors. theta energy: -55.175 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: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1370.594043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.594043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.594043 (E_RNA) where: Base-Base interactions energy: -872.957 where: short stacking energy: -429.062 Base-Backbone interact. energy: -1.656 local terms energy: -495.981683 where: bonds (distance) C4'-P energy: -102.516 bonds (distance) P-C4' energy: -133.761 flat angles C4'-P-C4' energy: -116.335 flat angles P-C4'-P energy: -86.585 tors. eta vs tors. theta energy: -56.785 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: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3071.978209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.978209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.978209 (E_RNA) where: Base-Base interactions energy: -2162.719 where: short stacking energy: -869.021 Base-Backbone interact. energy: -2.698 local terms energy: -906.560492 where: bonds (distance) C4'-P energy: -166.625 bonds (distance) P-C4' energy: -165.129 flat angles C4'-P-C4' energy: -190.818 flat angles P-C4'-P energy: -140.619 tors. eta vs tors. theta energy: -243.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -2921.479272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.479272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.479272 (E_RNA) where: Base-Base interactions energy: -2025.271 where: short stacking energy: -865.745 Base-Backbone interact. energy: -1.247 local terms energy: -894.962060 where: bonds (distance) C4'-P energy: -154.633 bonds (distance) P-C4' energy: -157.707 flat angles C4'-P-C4' energy: -197.427 flat angles P-C4'-P energy: -134.342 tors. eta vs tors. theta energy: -250.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -2855.543676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.543676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.543676 (E_RNA) where: Base-Base interactions energy: -2029.952 where: short stacking energy: -834.306 Base-Backbone interact. energy: -3.284 local terms energy: -822.307825 where: bonds (distance) C4'-P energy: -144.320 bonds (distance) P-C4' energy: -144.953 flat angles C4'-P-C4' energy: -184.644 flat angles P-C4'-P energy: -103.046 tors. eta vs tors. theta energy: -245.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2640.487334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.487334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.487334 (E_RNA) where: Base-Base interactions energy: -1849.932 where: short stacking energy: -813.079 Base-Backbone interact. energy: -4.133 local terms energy: -786.421890 where: bonds (distance) C4'-P energy: -150.004 bonds (distance) P-C4' energy: -141.006 flat angles C4'-P-C4' energy: -167.875 flat angles P-C4'-P energy: -104.990 tors. eta vs tors. theta energy: -222.547 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: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2538.620307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.620307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.620307 (E_RNA) where: Base-Base interactions energy: -1784.671 where: short stacking energy: -770.648 Base-Backbone interact. energy: -2.406 local terms energy: -751.543007 where: bonds (distance) C4'-P energy: -150.913 bonds (distance) P-C4' energy: -147.147 flat angles C4'-P-C4' energy: -156.685 flat angles P-C4'-P energy: -108.105 tors. eta vs tors. theta energy: -188.693 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: 7 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2309.323509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.323509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.323509 (E_RNA) where: Base-Base interactions energy: -1608.891 where: short stacking energy: -678.269 Base-Backbone interact. energy: 1.322 local terms energy: -701.753655 where: bonds (distance) C4'-P energy: -145.460 bonds (distance) P-C4' energy: -131.497 flat angles C4'-P-C4' energy: -162.678 flat angles P-C4'-P energy: -95.662 tors. eta vs tors. theta energy: -166.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1945.208015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.208015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.208015 (E_RNA) where: Base-Base interactions energy: -1280.229 where: short stacking energy: -573.734 Base-Backbone interact. energy: 3.079 local terms energy: -668.057970 where: bonds (distance) C4'-P energy: -133.682 bonds (distance) P-C4' energy: -146.095 flat angles C4'-P-C4' energy: -162.820 flat angles P-C4'-P energy: -101.062 tors. eta vs tors. theta energy: -124.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1821.172204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.172204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.172204 (E_RNA) where: Base-Base interactions energy: -1210.124 where: short stacking energy: -496.397 Base-Backbone interact. energy: -1.902 local terms energy: -609.146276 where: bonds (distance) C4'-P energy: -125.058 bonds (distance) P-C4' energy: -125.162 flat angles C4'-P-C4' energy: -148.708 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -101.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1401.720846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.720846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.720846 (E_RNA) where: Base-Base interactions energy: -856.795 where: short stacking energy: -388.856 Base-Backbone interact. energy: 3.527 local terms energy: -548.452995 where: bonds (distance) C4'-P energy: -136.129 bonds (distance) P-C4' energy: -146.423 flat angles C4'-P-C4' energy: -117.442 flat angles P-C4'-P energy: -84.436 tors. eta vs tors. theta energy: -64.023 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1299.242561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.242561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.242561 (E_RNA) where: Base-Base interactions energy: -824.077 where: short stacking energy: -391.083 Base-Backbone interact. energy: 8.612 local terms energy: -483.777765 where: bonds (distance) C4'-P energy: -130.796 bonds (distance) P-C4' energy: -129.106 flat angles C4'-P-C4' energy: -108.499 flat angles P-C4'-P energy: -77.045 tors. eta vs tors. theta energy: -38.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3057.970003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.970003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.970003 (E_RNA) where: Base-Base interactions energy: -2149.304 where: short stacking energy: -882.255 Base-Backbone interact. energy: -0.221 local terms energy: -908.444569 where: bonds (distance) C4'-P energy: -169.729 bonds (distance) P-C4' energy: -167.972 flat angles C4'-P-C4' energy: -197.771 flat angles P-C4'-P energy: -123.672 tors. eta vs tors. theta energy: -249.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -2945.409273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.409273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.409273 (E_RNA) where: Base-Base interactions energy: -2072.656 where: short stacking energy: -881.415 Base-Backbone interact. energy: 1.385 local terms energy: -874.138928 where: bonds (distance) C4'-P energy: -161.381 bonds (distance) P-C4' energy: -164.904 flat angles C4'-P-C4' energy: -190.956 flat angles P-C4'-P energy: -109.373 tors. eta vs tors. theta energy: -247.525 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: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -2868.138565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.138565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.138565 (E_RNA) where: Base-Base interactions energy: -2004.485 where: short stacking energy: -900.835 Base-Backbone interact. energy: -4.731 local terms energy: -858.922604 where: bonds (distance) C4'-P energy: -130.542 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -190.272 flat angles P-C4'-P energy: -127.908 tors. eta vs tors. theta energy: -254.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2687.137987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.137987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.137987 (E_RNA) where: Base-Base interactions energy: -1852.295 where: short stacking energy: -801.999 Base-Backbone interact. energy: -1.081 local terms energy: -833.761791 where: bonds (distance) C4'-P energy: -135.638 bonds (distance) P-C4' energy: -188.015 flat angles C4'-P-C4' energy: -178.484 flat angles P-C4'-P energy: -119.092 tors. eta vs tors. theta energy: -212.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2545.957232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.957232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.957232 (E_RNA) where: Base-Base interactions energy: -1753.441 where: short stacking energy: -783.520 Base-Backbone interact. energy: -3.242 local terms energy: -789.274259 where: bonds (distance) C4'-P energy: -168.066 bonds (distance) P-C4' energy: -152.974 flat angles C4'-P-C4' energy: -170.978 flat angles P-C4'-P energy: -98.001 tors. eta vs tors. theta energy: -199.256 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: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2281.878186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.878186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.878186 (E_RNA) where: Base-Base interactions energy: -1543.292 where: short stacking energy: -661.383 Base-Backbone interact. energy: -0.948 local terms energy: -737.637925 where: bonds (distance) C4'-P energy: -127.909 bonds (distance) P-C4' energy: -144.367 flat angles C4'-P-C4' energy: -183.206 flat angles P-C4'-P energy: -116.150 tors. eta vs tors. theta energy: -166.006 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: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2016.010067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.010067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.010067 (E_RNA) where: Base-Base interactions energy: -1344.494 where: short stacking energy: -596.759 Base-Backbone interact. energy: -2.871 local terms energy: -668.644464 where: bonds (distance) C4'-P energy: -134.592 bonds (distance) P-C4' energy: -156.775 flat angles C4'-P-C4' energy: -149.759 flat angles P-C4'-P energy: -93.578 tors. eta vs tors. theta energy: -133.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1821.640655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.640655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.640655 (E_RNA) where: Base-Base interactions energy: -1219.131 where: short stacking energy: -557.311 Base-Backbone interact. energy: -0.375 local terms energy: -602.135104 where: bonds (distance) C4'-P energy: -131.811 bonds (distance) P-C4' energy: -129.764 flat angles C4'-P-C4' energy: -137.470 flat angles P-C4'-P energy: -86.092 tors. eta vs tors. theta energy: -116.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1444.618812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.618812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.618812 (E_RNA) where: Base-Base interactions energy: -909.856 where: short stacking energy: -420.408 Base-Backbone interact. energy: -0.800 local terms energy: -533.962201 where: bonds (distance) C4'-P energy: -133.510 bonds (distance) P-C4' energy: -146.253 flat angles C4'-P-C4' energy: -119.165 flat angles P-C4'-P energy: -72.624 tors. eta vs tors. theta energy: -62.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1289.873367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.873367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.873367 (E_RNA) where: Base-Base interactions energy: -780.574 where: short stacking energy: -360.638 Base-Backbone interact. energy: -1.547 local terms energy: -507.752437 where: bonds (distance) C4'-P energy: -120.760 bonds (distance) P-C4' energy: -136.110 flat angles C4'-P-C4' energy: -126.306 flat angles P-C4'-P energy: -90.819 tors. eta vs tors. theta energy: -33.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3078.614960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.614960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.614960 (E_RNA) where: Base-Base interactions energy: -2174.148 where: short stacking energy: -865.042 Base-Backbone interact. energy: -1.414 local terms energy: -903.052795 where: bonds (distance) C4'-P energy: -171.001 bonds (distance) P-C4' energy: -173.946 flat angles C4'-P-C4' energy: -186.430 flat angles P-C4'-P energy: -130.686 tors. eta vs tors. theta energy: -240.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -2946.718066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.718066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.718066 (E_RNA) where: Base-Base interactions energy: -2052.904 where: short stacking energy: -874.731 Base-Backbone interact. energy: -1.590 local terms energy: -892.223673 where: bonds (distance) C4'-P energy: -161.212 bonds (distance) P-C4' energy: -148.298 flat angles C4'-P-C4' energy: -194.775 flat angles P-C4'-P energy: -129.297 tors. eta vs tors. theta energy: -258.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -2861.390274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.390274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.390274 (E_RNA) where: Base-Base interactions energy: -1974.129 where: short stacking energy: -857.255 Base-Backbone interact. energy: -0.645 local terms energy: -886.615837 where: bonds (distance) C4'-P energy: -147.800 bonds (distance) P-C4' energy: -170.054 flat angles C4'-P-C4' energy: -181.692 flat angles P-C4'-P energy: -133.861 tors. eta vs tors. theta energy: -253.208 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2650.856732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.856732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.856732 (E_RNA) where: Base-Base interactions energy: -1846.782 where: short stacking energy: -792.226 Base-Backbone interact. energy: -4.125 local terms energy: -799.949803 where: bonds (distance) C4'-P energy: -142.910 bonds (distance) P-C4' energy: -150.741 flat angles C4'-P-C4' energy: -183.923 flat angles P-C4'-P energy: -110.262 tors. eta vs tors. theta energy: -212.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2552.066908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.066908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.066908 (E_RNA) where: Base-Base interactions energy: -1777.296 where: short stacking energy: -780.182 Base-Backbone interact. energy: 3.560 local terms energy: -778.330178 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -146.453 flat angles C4'-P-C4' energy: -175.572 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -201.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2291.710720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.710720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.710720 (E_RNA) where: Base-Base interactions energy: -1538.016 where: short stacking energy: -668.435 Base-Backbone interact. energy: 0.187 local terms energy: -753.881886 where: bonds (distance) C4'-P energy: -143.670 bonds (distance) P-C4' energy: -161.843 flat angles C4'-P-C4' energy: -163.450 flat angles P-C4'-P energy: -94.402 tors. eta vs tors. theta energy: -190.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1915.823117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.823117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.823117 (E_RNA) where: Base-Base interactions energy: -1285.747 where: short stacking energy: -564.831 Base-Backbone interact. energy: -1.207 local terms energy: -628.869389 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -134.310 flat angles P-C4'-P energy: -92.969 tors. eta vs tors. theta energy: -120.590 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: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1820.731743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.731743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.731743 (E_RNA) where: Base-Base interactions energy: -1221.521 where: short stacking energy: -523.654 Base-Backbone interact. energy: 4.780 local terms energy: -603.990904 where: bonds (distance) C4'-P energy: -137.612 bonds (distance) P-C4' energy: -140.377 flat angles C4'-P-C4' energy: -133.669 flat angles P-C4'-P energy: -92.958 tors. eta vs tors. theta energy: -99.375 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: 9, replica: 9 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1473.636980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.636980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.636980 (E_RNA) where: Base-Base interactions energy: -922.516 where: short stacking energy: -415.459 Base-Backbone interact. energy: -2.579 local terms energy: -548.541971 where: bonds (distance) C4'-P energy: -126.502 bonds (distance) P-C4' energy: -152.442 flat angles C4'-P-C4' energy: -143.422 flat angles P-C4'-P energy: -59.644 tors. eta vs tors. theta energy: -66.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1326.054978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.054978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.054978 (E_RNA) where: Base-Base interactions energy: -842.359 where: short stacking energy: -365.013 Base-Backbone interact. energy: -3.344 local terms energy: -480.351341 where: bonds (distance) C4'-P energy: -136.521 bonds (distance) P-C4' energy: -116.911 flat angles C4'-P-C4' energy: -116.278 flat angles P-C4'-P energy: -67.694 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: 1, replica: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3073.786240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.786240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.786240 (E_RNA) where: Base-Base interactions energy: -2167.970 where: short stacking energy: -869.713 Base-Backbone interact. energy: -1.675 local terms energy: -904.140594 where: bonds (distance) C4'-P energy: -170.901 bonds (distance) P-C4' energy: -170.517 flat angles C4'-P-C4' energy: -195.279 flat angles P-C4'-P energy: -121.416 tors. eta vs tors. theta energy: -246.029 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: 1 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -2938.554048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.554048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.554048 (E_RNA) where: Base-Base interactions energy: -2038.890 where: short stacking energy: -877.364 Base-Backbone interact. energy: -1.268 local terms energy: -898.396362 where: bonds (distance) C4'-P energy: -154.836 bonds (distance) P-C4' energy: -170.935 flat angles C4'-P-C4' energy: -198.376 flat angles P-C4'-P energy: -113.625 tors. eta vs tors. theta energy: -260.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -2854.524717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.524717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.524717 (E_RNA) where: Base-Base interactions energy: -2019.980 where: short stacking energy: -883.319 Base-Backbone interact. energy: -2.853 local terms energy: -831.691964 where: bonds (distance) C4'-P energy: -150.005 bonds (distance) P-C4' energy: -138.467 flat angles C4'-P-C4' energy: -170.500 flat angles P-C4'-P energy: -111.789 tors. eta vs tors. theta energy: -260.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2625.155845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.155845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.155845 (E_RNA) where: Base-Base interactions energy: -1802.959 where: short stacking energy: -757.079 Base-Backbone interact. energy: 0.306 local terms energy: -822.502260 where: bonds (distance) C4'-P energy: -166.352 bonds (distance) P-C4' energy: -146.746 flat angles C4'-P-C4' energy: -179.822 flat angles P-C4'-P energy: -116.919 tors. eta vs tors. theta energy: -212.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2541.329044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.329044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.329044 (E_RNA) where: Base-Base interactions energy: -1741.519 where: short stacking energy: -762.874 Base-Backbone interact. energy: -0.210 local terms energy: -799.599587 where: bonds (distance) C4'-P energy: -137.460 bonds (distance) P-C4' energy: -168.580 flat angles C4'-P-C4' energy: -177.019 flat angles P-C4'-P energy: -103.434 tors. eta vs tors. theta energy: -213.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2283.549839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.549839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.549839 (E_RNA) where: Base-Base interactions energy: -1564.817 where: short stacking energy: -675.087 Base-Backbone interact. energy: 5.981 local terms energy: -724.713830 where: bonds (distance) C4'-P energy: -138.505 bonds (distance) P-C4' energy: -144.333 flat angles C4'-P-C4' energy: -152.469 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -167.887 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: 8 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1931.799736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.799736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.799736 (E_RNA) where: Base-Base interactions energy: -1299.544 where: short stacking energy: -568.795 Base-Backbone interact. energy: -0.346 local terms energy: -631.910213 where: bonds (distance) C4'-P energy: -129.267 bonds (distance) P-C4' energy: -146.910 flat angles C4'-P-C4' energy: -151.079 flat angles P-C4'-P energy: -81.691 tors. eta vs tors. theta energy: -122.963 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: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1825.126959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.126959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.126959 (E_RNA) where: Base-Base interactions energy: -1228.769 where: short stacking energy: -552.871 Base-Backbone interact. energy: -1.406 local terms energy: -594.951927 where: bonds (distance) C4'-P energy: -126.432 bonds (distance) P-C4' energy: -120.566 flat angles C4'-P-C4' energy: -151.500 flat angles P-C4'-P energy: -88.158 tors. eta vs tors. theta energy: -108.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1450.646960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.646960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.646960 (E_RNA) where: Base-Base interactions energy: -914.485 where: short stacking energy: -406.290 Base-Backbone interact. energy: 1.976 local terms energy: -538.137962 where: bonds (distance) C4'-P energy: -130.195 bonds (distance) P-C4' energy: -118.375 flat angles C4'-P-C4' energy: -127.265 flat angles P-C4'-P energy: -96.666 tors. eta vs tors. theta energy: -65.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1232.665405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.665405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.665405 (E_RNA) where: Base-Base interactions energy: -739.847 where: short stacking energy: -361.612 Base-Backbone interact. energy: -1.317 local terms energy: -491.500723 where: bonds (distance) C4'-P energy: -117.843 bonds (distance) P-C4' energy: -136.745 flat angles C4'-P-C4' energy: -122.002 flat angles P-C4'-P energy: -76.353 tors. eta vs tors. theta energy: -38.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3068.182232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.182232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.182232 (E_RNA) where: Base-Base interactions energy: -2196.596 where: short stacking energy: -892.616 Base-Backbone interact. energy: -2.413 local terms energy: -869.172986 where: bonds (distance) C4'-P energy: -150.743 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -193.400 flat angles P-C4'-P energy: -128.132 tors. eta vs tors. theta energy: -246.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -2917.327649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.327649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.327649 (E_RNA) where: Base-Base interactions energy: -2023.825 where: short stacking energy: -882.749 Base-Backbone interact. energy: -4.563 local terms energy: -888.939507 where: bonds (distance) C4'-P energy: -159.168 bonds (distance) P-C4' energy: -168.051 flat angles C4'-P-C4' energy: -187.319 flat angles P-C4'-P energy: -128.538 tors. eta vs tors. theta energy: -245.864 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: 2 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -2880.257446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.257446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.257446 (E_RNA) where: Base-Base interactions energy: -2042.250 where: short stacking energy: -888.750 Base-Backbone interact. energy: 10.276 local terms energy: -848.283346 where: bonds (distance) C4'-P energy: -146.572 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -190.846 flat angles P-C4'-P energy: -113.887 tors. eta vs tors. theta energy: -250.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2660.276774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.276774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.276774 (E_RNA) where: Base-Base interactions energy: -1845.699 where: short stacking energy: -787.892 Base-Backbone interact. energy: 1.243 local terms energy: -815.820674 where: bonds (distance) C4'-P energy: -153.615 bonds (distance) P-C4' energy: -155.976 flat angles C4'-P-C4' energy: -183.756 flat angles P-C4'-P energy: -114.169 tors. eta vs tors. theta energy: -208.304 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2489.610799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.610799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.610799 (E_RNA) where: Base-Base interactions energy: -1740.654 where: short stacking energy: -768.555 Base-Backbone interact. energy: -0.315 local terms energy: -748.641293 where: bonds (distance) C4'-P energy: -132.549 bonds (distance) P-C4' energy: -140.323 flat angles C4'-P-C4' energy: -154.933 flat angles P-C4'-P energy: -111.745 tors. eta vs tors. theta energy: -209.092 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: 7 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2252.453963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.453963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.453963 (E_RNA) where: Base-Base interactions energy: -1550.919 where: short stacking energy: -673.155 Base-Backbone interact. energy: 1.328 local terms energy: -702.862590 where: bonds (distance) C4'-P energy: -131.819 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -153.009 flat angles P-C4'-P energy: -103.262 tors. eta vs tors. theta energy: -166.547 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: 8 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1947.046375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.046375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.046375 (E_RNA) where: Base-Base interactions energy: -1310.391 where: short stacking energy: -571.895 Base-Backbone interact. energy: 1.069 local terms energy: -637.723979 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -132.655 flat angles C4'-P-C4' energy: -161.080 flat angles P-C4'-P energy: -106.609 tors. eta vs tors. theta energy: -100.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1845.362838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.362838 (E_RNA) where: Base-Base interactions energy: -1262.236 where: short stacking energy: -554.554 Base-Backbone interact. energy: 1.922 local terms energy: -585.049190 where: bonds (distance) C4'-P energy: -130.509 bonds (distance) P-C4' energy: -132.252 flat angles C4'-P-C4' energy: -123.335 flat angles P-C4'-P energy: -77.733 tors. eta vs tors. theta energy: -121.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1475.724817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.724817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.724817 (E_RNA) where: Base-Base interactions energy: -956.530 where: short stacking energy: -418.460 Base-Backbone interact. energy: 0.532 local terms energy: -519.726586 where: bonds (distance) C4'-P energy: -134.002 bonds (distance) P-C4' energy: -136.421 flat angles C4'-P-C4' energy: -119.335 flat angles P-C4'-P energy: -76.343 tors. eta vs tors. theta energy: -53.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1221.653545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.653545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.653545 (E_RNA) where: Base-Base interactions energy: -731.591 where: short stacking energy: -348.186 Base-Backbone interact. energy: 0.371 local terms energy: -490.434299 where: bonds (distance) C4'-P energy: -136.291 bonds (distance) P-C4' energy: -133.792 flat angles C4'-P-C4' energy: -106.096 flat angles P-C4'-P energy: -82.271 tors. eta vs tors. theta energy: -31.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3117.989112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.989112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.989112 (E_RNA) where: Base-Base interactions energy: -2217.094 where: short stacking energy: -910.756 Base-Backbone interact. energy: -4.279 local terms energy: -896.615311 where: bonds (distance) C4'-P energy: -149.450 bonds (distance) P-C4' energy: -165.202 flat angles C4'-P-C4' energy: -202.699 flat angles P-C4'-P energy: -136.664 tors. eta vs tors. theta energy: -242.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -2924.276581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.276581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.276581 (E_RNA) where: Base-Base interactions energy: -2047.610 where: short stacking energy: -886.691 Base-Backbone interact. energy: 3.397 local terms energy: -880.062916 where: bonds (distance) C4'-P energy: -147.524 bonds (distance) P-C4' energy: -171.820 flat angles C4'-P-C4' energy: -182.015 flat angles P-C4'-P energy: -126.402 tors. eta vs tors. theta energy: -252.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -2856.412440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.412440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.412440 (E_RNA) where: Base-Base interactions energy: -2010.020 where: short stacking energy: -866.680 Base-Backbone interact. energy: -4.442 local terms energy: -841.950466 where: bonds (distance) C4'-P energy: -139.174 bonds (distance) P-C4' energy: -154.557 flat angles C4'-P-C4' energy: -175.880 flat angles P-C4'-P energy: -123.255 tors. eta vs tors. theta energy: -249.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2646.365912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.365912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.365912 (E_RNA) where: Base-Base interactions energy: -1840.425 where: short stacking energy: -778.864 Base-Backbone interact. energy: -4.313 local terms energy: -801.627742 where: bonds (distance) C4'-P energy: -136.515 bonds (distance) P-C4' energy: -159.095 flat angles C4'-P-C4' energy: -170.699 flat angles P-C4'-P energy: -116.890 tors. eta vs tors. theta energy: -218.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2475.380348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.380348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.380348 (E_RNA) where: Base-Base interactions energy: -1694.410 where: short stacking energy: -748.893 Base-Backbone interact. energy: 1.215 local terms energy: -782.185253 where: bonds (distance) C4'-P energy: -150.644 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -155.614 flat angles P-C4'-P energy: -117.074 tors. eta vs tors. theta energy: -198.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2303.211136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.211136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.211136 (E_RNA) where: Base-Base interactions energy: -1577.397 where: short stacking energy: -655.692 Base-Backbone interact. energy: -1.669 local terms energy: -724.145010 where: bonds (distance) C4'-P energy: -138.521 bonds (distance) P-C4' energy: -149.106 flat angles C4'-P-C4' energy: -163.669 flat angles P-C4'-P energy: -107.281 tors. eta vs tors. theta energy: -165.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1910.612217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.612217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.612217 (E_RNA) where: Base-Base interactions energy: -1241.625 where: short stacking energy: -561.183 Base-Backbone interact. energy: -1.618 local terms energy: -667.369164 where: bonds (distance) C4'-P energy: -138.628 bonds (distance) P-C4' energy: -169.519 flat angles C4'-P-C4' energy: -147.199 flat angles P-C4'-P energy: -86.014 tors. eta vs tors. theta energy: -126.009 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: 477 Temperature: 1.250000 Total energy: -1903.690656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.690656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.690656 (E_RNA) where: Base-Base interactions energy: -1257.241 where: short stacking energy: -528.131 Base-Backbone interact. energy: 3.613 local terms energy: -650.063225 where: bonds (distance) C4'-P energy: -141.596 bonds (distance) P-C4' energy: -146.566 flat angles C4'-P-C4' energy: -166.428 flat angles P-C4'-P energy: -81.908 tors. eta vs tors. theta energy: -113.566 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: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1554.754894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.754894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.754894 (E_RNA) where: Base-Base interactions energy: -1004.146 where: short stacking energy: -447.170 Base-Backbone interact. energy: -2.712 local terms energy: -547.896330 where: bonds (distance) C4'-P energy: -118.213 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -137.550 flat angles P-C4'-P energy: -68.762 tors. eta vs tors. theta energy: -78.105 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: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1223.511628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.511628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.511628 (E_RNA) where: Base-Base interactions energy: -738.549 where: short stacking energy: -354.083 Base-Backbone interact. energy: -5.023 local terms energy: -479.939620 where: bonds (distance) C4'-P energy: -117.988 bonds (distance) P-C4' energy: -119.743 flat angles C4'-P-C4' energy: -123.520 flat angles P-C4'-P energy: -79.956 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: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3065.143497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.143497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.143497 (E_RNA) where: Base-Base interactions energy: -2192.188 where: short stacking energy: -884.234 Base-Backbone interact. energy: -2.856 local terms energy: -870.099774 where: bonds (distance) C4'-P energy: -166.469 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -178.549 flat angles P-C4'-P energy: -130.638 tors. eta vs tors. theta energy: -239.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -2930.369702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.369702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.369702 (E_RNA) where: Base-Base interactions energy: -2032.995 where: short stacking energy: -874.378 Base-Backbone interact. energy: -3.321 local terms energy: -894.054197 where: bonds (distance) C4'-P energy: -166.634 bonds (distance) P-C4' energy: -160.989 flat angles C4'-P-C4' energy: -177.354 flat angles P-C4'-P energy: -142.255 tors. eta vs tors. theta energy: -246.822 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: 478 Temperature: 1.000000 Total energy: -2865.839579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.839579 (E_RNA) where: Base-Base interactions energy: -2028.602 where: short stacking energy: -860.034 Base-Backbone interact. energy: -2.076 local terms energy: -835.160872 where: bonds (distance) C4'-P energy: -140.036 bonds (distance) P-C4' energy: -136.808 flat angles C4'-P-C4' energy: -186.783 flat angles P-C4'-P energy: -121.277 tors. eta vs tors. theta energy: -250.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2620.273577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.273577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.273577 (E_RNA) where: Base-Base interactions energy: -1828.000 where: short stacking energy: -787.304 Base-Backbone interact. energy: -5.146 local terms energy: -787.127679 where: bonds (distance) C4'-P energy: -147.849 bonds (distance) P-C4' energy: -144.497 flat angles C4'-P-C4' energy: -183.054 flat angles P-C4'-P energy: -115.405 tors. eta vs tors. theta energy: -196.322 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: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2373.687942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.687942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.687942 (E_RNA) where: Base-Base interactions energy: -1610.529 where: short stacking energy: -703.620 Base-Backbone interact. energy: -6.351 local terms energy: -756.808177 where: bonds (distance) C4'-P energy: -148.493 bonds (distance) P-C4' energy: -159.990 flat angles C4'-P-C4' energy: -159.510 flat angles P-C4'-P energy: -102.797 tors. eta vs tors. theta energy: -186.018 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: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2445.858930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.858930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.858930 (E_RNA) where: Base-Base interactions energy: -1687.629 where: short stacking energy: -766.815 Base-Backbone interact. energy: 2.000 local terms energy: -760.230324 where: bonds (distance) C4'-P energy: -151.906 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -152.457 flat angles P-C4'-P energy: -110.255 tors. eta vs tors. theta energy: -205.327 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: 478 Temperature: 1.200000 Total energy: -1925.263518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.263518 (E_RNA) where: Base-Base interactions energy: -1252.415 where: short stacking energy: -574.048 Base-Backbone interact. energy: -4.239 local terms energy: -668.609057 where: bonds (distance) C4'-P energy: -140.848 bonds (distance) P-C4' energy: -148.360 flat angles C4'-P-C4' energy: -160.346 flat angles P-C4'-P energy: -100.070 tors. eta vs tors. theta energy: -118.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1825.728625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.728625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.728625 (E_RNA) where: Base-Base interactions energy: -1251.959 where: short stacking energy: -528.811 Base-Backbone interact. energy: 2.206 local terms energy: -575.974816 where: bonds (distance) C4'-P energy: -143.360 bonds (distance) P-C4' energy: -122.811 flat angles C4'-P-C4' energy: -148.154 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -97.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1504.553692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.553692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.553692 (E_RNA) where: Base-Base interactions energy: -988.390 where: short stacking energy: -433.006 Base-Backbone interact. energy: -0.056 local terms energy: -516.107530 where: bonds (distance) C4'-P energy: -111.716 bonds (distance) P-C4' energy: -140.840 flat angles C4'-P-C4' energy: -129.152 flat angles P-C4'-P energy: -64.918 tors. eta vs tors. theta energy: -69.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1267.929702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.929702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.929702 (E_RNA) where: Base-Base interactions energy: -781.725 where: short stacking energy: -378.881 Base-Backbone interact. energy: 0.719 local terms energy: -486.923368 where: bonds (distance) C4'-P energy: -122.850 bonds (distance) P-C4' energy: -117.808 flat angles C4'-P-C4' energy: -122.535 flat angles P-C4'-P energy: -68.274 tors. eta vs tors. theta energy: -55.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3067.565877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.565877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.565877 (E_RNA) where: Base-Base interactions energy: -2188.001 where: short stacking energy: -867.132 Base-Backbone interact. energy: -4.382 local terms energy: -875.183339 where: bonds (distance) C4'-P energy: -141.422 bonds (distance) P-C4' energy: -165.655 flat angles C4'-P-C4' energy: -195.774 flat angles P-C4'-P energy: -131.902 tors. eta vs tors. theta energy: -240.430 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: 479 Temperature: 0.950000 Total energy: -2906.413568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.413568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.413568 (E_RNA) where: Base-Base interactions energy: -2051.180 where: short stacking energy: -863.501 Base-Backbone interact. energy: -0.959 local terms energy: -854.275132 where: bonds (distance) C4'-P energy: -160.214 bonds (distance) P-C4' energy: -147.190 flat angles C4'-P-C4' energy: -186.658 flat angles P-C4'-P energy: -116.765 tors. eta vs tors. theta energy: -243.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -2884.575241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.575241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.575241 (E_RNA) where: Base-Base interactions energy: -2015.813 where: short stacking energy: -889.411 Base-Backbone interact. energy: 2.092 local terms energy: -870.854349 where: bonds (distance) C4'-P energy: -137.621 bonds (distance) P-C4' energy: -175.842 flat angles C4'-P-C4' energy: -177.854 flat angles P-C4'-P energy: -116.317 tors. eta vs tors. theta energy: -263.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2611.940987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.940987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.940987 (E_RNA) where: Base-Base interactions energy: -1800.819 where: short stacking energy: -769.550 Base-Backbone interact. energy: -5.324 local terms energy: -805.797610 where: bonds (distance) C4'-P energy: -138.603 bonds (distance) P-C4' energy: -156.810 flat angles C4'-P-C4' energy: -182.985 flat angles P-C4'-P energy: -116.541 tors. eta vs tors. theta energy: -210.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2354.035390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.035390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.035390 (E_RNA) where: Base-Base interactions energy: -1625.962 where: short stacking energy: -658.337 Base-Backbone interact. energy: -5.212 local terms energy: -722.861221 where: bonds (distance) C4'-P energy: -148.581 bonds (distance) P-C4' energy: -156.750 flat angles C4'-P-C4' energy: -149.662 flat angles P-C4'-P energy: -101.445 tors. eta vs tors. theta energy: -166.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2454.190244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.190244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.190244 (E_RNA) where: Base-Base interactions energy: -1668.032 where: short stacking energy: -709.280 Base-Backbone interact. energy: -4.131 local terms energy: -782.026698 where: bonds (distance) C4'-P energy: -152.396 bonds (distance) P-C4' energy: -154.343 flat angles C4'-P-C4' energy: -168.361 flat angles P-C4'-P energy: -104.469 tors. eta vs tors. theta energy: -202.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1971.358582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.358582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.358582 (E_RNA) where: Base-Base interactions energy: -1327.568 where: short stacking energy: -580.760 Base-Backbone interact. energy: 0.748 local terms energy: -644.539076 where: bonds (distance) C4'-P energy: -135.560 bonds (distance) P-C4' energy: -134.384 flat angles C4'-P-C4' energy: -157.876 flat angles P-C4'-P energy: -89.255 tors. eta vs tors. theta energy: -127.464 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: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1847.330749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.330749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.330749 (E_RNA) where: Base-Base interactions energy: -1257.464 where: short stacking energy: -540.491 Base-Backbone interact. energy: -1.677 local terms energy: -588.189226 where: bonds (distance) C4'-P energy: -122.213 bonds (distance) P-C4' energy: -155.349 flat angles C4'-P-C4' energy: -128.245 flat angles P-C4'-P energy: -81.937 tors. eta vs tors. theta energy: -100.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1447.038003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.038003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.038003 (E_RNA) where: Base-Base interactions energy: -926.434 where: short stacking energy: -409.770 Base-Backbone interact. energy: 2.375 local terms energy: -522.978460 where: bonds (distance) C4'-P energy: -113.673 bonds (distance) P-C4' energy: -133.570 flat angles C4'-P-C4' energy: -142.558 flat angles P-C4'-P energy: -76.707 tors. eta vs tors. theta energy: -56.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1250.274944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.274944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.274944 (E_RNA) where: Base-Base interactions energy: -746.429 where: short stacking energy: -360.277 Base-Backbone interact. energy: -2.806 local terms energy: -501.040002 where: bonds (distance) C4'-P energy: -118.160 bonds (distance) P-C4' energy: -130.575 flat angles C4'-P-C4' energy: -121.288 flat angles P-C4'-P energy: -74.924 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: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3043.614161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.614161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.614161 (E_RNA) where: Base-Base interactions energy: -2140.186 where: short stacking energy: -856.249 Base-Backbone interact. energy: -2.264 local terms energy: -901.164747 where: bonds (distance) C4'-P energy: -175.866 bonds (distance) P-C4' energy: -173.933 flat angles C4'-P-C4' energy: -183.063 flat angles P-C4'-P energy: -128.595 tors. eta vs tors. theta energy: -239.708 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: 480 Temperature: 0.950000 Total energy: -2901.040941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.040941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.040941 (E_RNA) where: Base-Base interactions energy: -1994.722 where: short stacking energy: -892.752 Base-Backbone interact. energy: -3.024 local terms energy: -903.294749 where: bonds (distance) C4'-P energy: -158.513 bonds (distance) P-C4' energy: -172.840 flat angles C4'-P-C4' energy: -188.770 flat angles P-C4'-P energy: -127.038 tors. eta vs tors. theta energy: -256.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -2877.337498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.337498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.337498 (E_RNA) where: Base-Base interactions energy: -2003.447 where: short stacking energy: -862.892 Base-Backbone interact. energy: 5.440 local terms energy: -879.330509 where: bonds (distance) C4'-P energy: -161.708 bonds (distance) P-C4' energy: -151.371 flat angles C4'-P-C4' energy: -184.536 flat angles P-C4'-P energy: -131.159 tors. eta vs tors. theta energy: -250.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2654.391886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.391886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.391886 (E_RNA) where: Base-Base interactions energy: -1823.382 where: short stacking energy: -801.099 Base-Backbone interact. energy: -0.905 local terms energy: -830.104836 where: bonds (distance) C4'-P energy: -155.290 bonds (distance) P-C4' energy: -161.295 flat angles C4'-P-C4' energy: -173.884 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -225.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2571.823914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.823914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.823914 (E_RNA) where: Base-Base interactions energy: -1778.619 where: short stacking energy: -788.548 Base-Backbone interact. energy: 1.479 local terms energy: -794.684312 where: bonds (distance) C4'-P energy: -150.055 bonds (distance) P-C4' energy: -134.243 flat angles C4'-P-C4' energy: -177.937 flat angles P-C4'-P energy: -105.544 tors. eta vs tors. theta energy: -226.905 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: 6, replica: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2330.568235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.568235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.568235 (E_RNA) where: Base-Base interactions energy: -1579.271 where: short stacking energy: -696.886 Base-Backbone interact. energy: -1.064 local terms energy: -750.233840 where: bonds (distance) C4'-P energy: -136.548 bonds (distance) P-C4' energy: -149.310 flat angles C4'-P-C4' energy: -174.262 flat angles P-C4'-P energy: -108.849 tors. eta vs tors. theta energy: -181.264 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: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2016.662575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.662575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.662575 (E_RNA) where: Base-Base interactions energy: -1379.543 where: short stacking energy: -584.431 Base-Backbone interact. energy: 5.931 local terms energy: -643.050626 where: bonds (distance) C4'-P energy: -126.458 bonds (distance) P-C4' energy: -142.816 flat angles C4'-P-C4' energy: -147.049 flat angles P-C4'-P energy: -98.849 tors. eta vs tors. theta energy: -127.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1803.784833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.784833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.784833 (E_RNA) where: Base-Base interactions energy: -1178.020 where: short stacking energy: -494.246 Base-Backbone interact. energy: 4.855 local terms energy: -630.619627 where: bonds (distance) C4'-P energy: -132.361 bonds (distance) P-C4' energy: -154.836 flat angles C4'-P-C4' energy: -140.504 flat angles P-C4'-P energy: -106.263 tors. eta vs tors. theta energy: -96.657 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: 9 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1560.039568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.039568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.039568 (E_RNA) where: Base-Base interactions energy: -992.984 where: short stacking energy: -442.089 Base-Backbone interact. energy: -1.939 local terms energy: -565.117085 where: bonds (distance) C4'-P energy: -139.806 bonds (distance) P-C4' energy: -160.573 flat angles C4'-P-C4' energy: -141.534 flat angles P-C4'-P energy: -66.540 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: 10, replica: 4 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1217.507929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.507929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.507929 (E_RNA) where: Base-Base interactions energy: -727.059 where: short stacking energy: -334.262 Base-Backbone interact. energy: 12.172 local terms energy: -502.621397 where: bonds (distance) C4'-P energy: -131.437 bonds (distance) P-C4' energy: -130.622 flat angles C4'-P-C4' energy: -110.642 flat angles P-C4'-P energy: -89.069 tors. eta vs tors. theta energy: -40.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3076.785801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.785801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.785801 (E_RNA) where: Base-Base interactions energy: -2188.930 where: short stacking energy: -886.423 Base-Backbone interact. energy: -4.877 local terms energy: -882.978044 where: bonds (distance) C4'-P energy: -161.558 bonds (distance) P-C4' energy: -164.692 flat angles C4'-P-C4' energy: -189.923 flat angles P-C4'-P energy: -116.533 tors. eta vs tors. theta energy: -250.272 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: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -2946.068872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.068872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.068872 (E_RNA) where: Base-Base interactions energy: -2103.121 where: short stacking energy: -905.466 Base-Backbone interact. energy: 4.489 local terms energy: -847.436246 where: bonds (distance) C4'-P energy: -142.018 bonds (distance) P-C4' energy: -148.969 flat angles C4'-P-C4' energy: -185.910 flat angles P-C4'-P energy: -110.912 tors. eta vs tors. theta energy: -259.628 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: 481 Temperature: 1.000000 Total energy: -2836.516955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.516955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.516955 (E_RNA) where: Base-Base interactions energy: -2002.271 where: short stacking energy: -847.397 Base-Backbone interact. energy: 1.022 local terms energy: -835.268148 where: bonds (distance) C4'-P energy: -143.320 bonds (distance) P-C4' energy: -150.870 flat angles C4'-P-C4' energy: -179.615 flat angles P-C4'-P energy: -120.679 tors. eta vs tors. theta energy: -240.784 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: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2641.791644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.791644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.791644 (E_RNA) where: Base-Base interactions energy: -1858.011 where: short stacking energy: -812.276 Base-Backbone interact. energy: -1.650 local terms energy: -782.130397 where: bonds (distance) C4'-P energy: -148.782 bonds (distance) P-C4' energy: -152.606 flat angles C4'-P-C4' energy: -156.397 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -223.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2529.896032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.896032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.896032 (E_RNA) where: Base-Base interactions energy: -1757.180 where: short stacking energy: -785.036 Base-Backbone interact. energy: -2.367 local terms energy: -770.349033 where: bonds (distance) C4'-P energy: -141.383 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -165.965 flat angles P-C4'-P energy: -116.297 tors. eta vs tors. theta energy: -203.344 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: 7 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2307.284697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.284697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.284697 (E_RNA) where: Base-Base interactions energy: -1574.171 where: short stacking energy: -678.230 Base-Backbone interact. energy: -1.448 local terms energy: -731.665569 where: bonds (distance) C4'-P energy: -152.429 bonds (distance) P-C4' energy: -140.818 flat angles C4'-P-C4' energy: -159.950 flat angles P-C4'-P energy: -105.402 tors. eta vs tors. theta energy: -173.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1918.679978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.679978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.679978 (E_RNA) where: Base-Base interactions energy: -1282.418 where: short stacking energy: -586.271 Base-Backbone interact. energy: 1.594 local terms energy: -637.855540 where: bonds (distance) C4'-P energy: -127.750 bonds (distance) P-C4' energy: -143.403 flat angles C4'-P-C4' energy: -156.983 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -136.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1801.556640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.556640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.556640 (E_RNA) where: Base-Base interactions energy: -1196.564 where: short stacking energy: -562.071 Base-Backbone interact. energy: 0.593 local terms energy: -605.585726 where: bonds (distance) C4'-P energy: -123.765 bonds (distance) P-C4' energy: -152.058 flat angles C4'-P-C4' energy: -133.860 flat angles P-C4'-P energy: -87.671 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: 9, replica: 9 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1480.516068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.516068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.516068 (E_RNA) where: Base-Base interactions energy: -937.880 where: short stacking energy: -435.552 Base-Backbone interact. energy: 3.971 local terms energy: -546.607333 where: bonds (distance) C4'-P energy: -130.517 bonds (distance) P-C4' energy: -142.320 flat angles C4'-P-C4' energy: -130.995 flat angles P-C4'-P energy: -70.763 tors. eta vs tors. theta energy: -72.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1223.582021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.582021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.582021 (E_RNA) where: Base-Base interactions energy: -734.194 where: short stacking energy: -341.734 Base-Backbone interact. energy: 1.910 local terms energy: -491.298855 where: bonds (distance) C4'-P energy: -122.742 bonds (distance) P-C4' energy: -145.551 flat angles C4'-P-C4' energy: -123.403 flat angles P-C4'-P energy: -64.989 tors. eta vs tors. theta energy: -34.613 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: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3072.867806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.867806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.867806 (E_RNA) where: Base-Base interactions energy: -2179.253 where: short stacking energy: -885.906 Base-Backbone interact. energy: 1.386 local terms energy: -895.000837 where: bonds (distance) C4'-P energy: -166.369 bonds (distance) P-C4' energy: -164.987 flat angles C4'-P-C4' energy: -191.162 flat angles P-C4'-P energy: -123.237 tors. eta vs tors. theta energy: -249.245 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: 482 Temperature: 0.950000 Total energy: -2960.560480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.560480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.560480 (E_RNA) where: Base-Base interactions energy: -2052.701 where: short stacking energy: -906.735 Base-Backbone interact. energy: -1.546 local terms energy: -906.313568 where: bonds (distance) C4'-P energy: -170.338 bonds (distance) P-C4' energy: -154.103 flat angles C4'-P-C4' energy: -193.282 flat angles P-C4'-P energy: -128.536 tors. eta vs tors. theta energy: -260.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -2835.591332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.591332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.591332 (E_RNA) where: Base-Base interactions energy: -2007.184 where: short stacking energy: -843.717 Base-Backbone interact. energy: 2.426 local terms energy: -830.833325 where: bonds (distance) C4'-P energy: -149.362 bonds (distance) P-C4' energy: -144.520 flat angles C4'-P-C4' energy: -180.824 flat angles P-C4'-P energy: -112.510 tors. eta vs tors. theta energy: -243.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2633.107704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.107704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.107704 (E_RNA) where: Base-Base interactions energy: -1835.862 where: short stacking energy: -797.997 Base-Backbone interact. energy: -2.478 local terms energy: -794.767681 where: bonds (distance) C4'-P energy: -145.387 bonds (distance) P-C4' energy: -153.593 flat angles C4'-P-C4' energy: -165.054 flat angles P-C4'-P energy: -114.943 tors. eta vs tors. theta energy: -215.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2508.225972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.225972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.225972 (E_RNA) where: Base-Base interactions energy: -1731.419 where: short stacking energy: -766.787 Base-Backbone interact. energy: -0.405 local terms energy: -776.401925 where: bonds (distance) C4'-P energy: -146.524 bonds (distance) P-C4' energy: -135.490 flat angles C4'-P-C4' energy: -172.594 flat angles P-C4'-P energy: -109.125 tors. eta vs tors. theta energy: -212.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2346.496046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.496046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.496046 (E_RNA) where: Base-Base interactions energy: -1640.653 where: short stacking energy: -709.785 Base-Backbone interact. energy: -2.754 local terms energy: -703.089640 where: bonds (distance) C4'-P energy: -136.479 bonds (distance) P-C4' energy: -142.252 flat angles C4'-P-C4' energy: -167.917 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -164.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1911.868990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.868990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.868990 (E_RNA) where: Base-Base interactions energy: -1274.063 where: short stacking energy: -604.150 Base-Backbone interact. energy: -2.856 local terms energy: -634.949822 where: bonds (distance) C4'-P energy: -131.827 bonds (distance) P-C4' energy: -131.299 flat angles C4'-P-C4' energy: -151.706 flat angles P-C4'-P energy: -92.371 tors. eta vs tors. theta energy: -127.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1864.519362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.519362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.519362 (E_RNA) where: Base-Base interactions energy: -1233.370 where: short stacking energy: -532.206 Base-Backbone interact. energy: 1.642 local terms energy: -632.791298 where: bonds (distance) C4'-P energy: -131.373 bonds (distance) P-C4' energy: -147.762 flat angles C4'-P-C4' energy: -153.003 flat angles P-C4'-P energy: -98.534 tors. eta vs tors. theta energy: -102.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1472.818373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.818373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.818373 (E_RNA) where: Base-Base interactions energy: -967.094 where: short stacking energy: -431.285 Base-Backbone interact. energy: -3.612 local terms energy: -502.112094 where: bonds (distance) C4'-P energy: -124.404 bonds (distance) P-C4' energy: -103.243 flat angles C4'-P-C4' energy: -130.040 flat angles P-C4'-P energy: -76.980 tors. eta vs tors. theta energy: -67.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1216.622464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.622464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.622464 (E_RNA) where: Base-Base interactions energy: -725.588 where: short stacking energy: -365.646 Base-Backbone interact. energy: 2.295 local terms energy: -493.330150 where: bonds (distance) C4'-P energy: -125.065 bonds (distance) P-C4' energy: -137.908 flat angles C4'-P-C4' energy: -118.070 flat angles P-C4'-P energy: -83.146 tors. eta vs tors. theta energy: -29.141 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: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3082.932958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.932958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.932958 (E_RNA) where: Base-Base interactions energy: -2183.856 where: short stacking energy: -897.087 Base-Backbone interact. energy: 0.371 local terms energy: -899.447380 where: bonds (distance) C4'-P energy: -164.932 bonds (distance) P-C4' energy: -168.277 flat angles C4'-P-C4' energy: -188.078 flat angles P-C4'-P energy: -127.121 tors. eta vs tors. theta energy: -251.039 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -2918.975868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.975868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.975868 (E_RNA) where: Base-Base interactions energy: -2037.162 where: short stacking energy: -900.743 Base-Backbone interact. energy: 2.237 local terms energy: -884.050752 where: bonds (distance) C4'-P energy: -170.718 bonds (distance) P-C4' energy: -144.891 flat angles C4'-P-C4' energy: -192.179 flat angles P-C4'-P energy: -119.950 tors. eta vs tors. theta energy: -256.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -2856.682123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.682123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.682123 (E_RNA) where: Base-Base interactions energy: -2011.503 where: short stacking energy: -869.277 Base-Backbone interact. energy: -3.879 local terms energy: -841.299266 where: bonds (distance) C4'-P energy: -144.827 bonds (distance) P-C4' energy: -165.939 flat angles C4'-P-C4' energy: -179.334 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -240.369 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: 3 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2558.280255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.280255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.280255 (E_RNA) where: Base-Base interactions energy: -1731.226 where: short stacking energy: -751.928 Base-Backbone interact. energy: -4.965 local terms energy: -822.089599 where: bonds (distance) C4'-P energy: -167.862 bonds (distance) P-C4' energy: -149.934 flat angles C4'-P-C4' energy: -174.571 flat angles P-C4'-P energy: -120.673 tors. eta vs tors. theta energy: -209.050 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: 5, replica: 5 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2510.606146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.606146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.606146 (E_RNA) where: Base-Base interactions energy: -1723.621 where: short stacking energy: -751.917 Base-Backbone interact. energy: 5.198 local terms energy: -792.183438 where: bonds (distance) C4'-P energy: -157.330 bonds (distance) P-C4' energy: -158.018 flat angles C4'-P-C4' energy: -169.491 flat angles P-C4'-P energy: -107.691 tors. eta vs tors. theta energy: -199.652 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: 7 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2294.191560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.191560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.191560 (E_RNA) where: Base-Base interactions energy: -1583.422 where: short stacking energy: -662.277 Base-Backbone interact. energy: 11.637 local terms energy: -722.406063 where: bonds (distance) C4'-P energy: -160.626 bonds (distance) P-C4' energy: -156.702 flat angles C4'-P-C4' energy: -157.651 flat angles P-C4'-P energy: -85.507 tors. eta vs tors. theta energy: -161.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1923.172811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.172811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.172811 (E_RNA) where: Base-Base interactions energy: -1274.908 where: short stacking energy: -560.946 Base-Backbone interact. energy: -2.544 local terms energy: -645.720446 where: bonds (distance) C4'-P energy: -148.731 bonds (distance) P-C4' energy: -139.136 flat angles C4'-P-C4' energy: -144.595 flat angles P-C4'-P energy: -92.911 tors. eta vs tors. theta energy: -120.348 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: 483 Temperature: 1.250000 Total energy: -1824.647852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.647852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.647852 (E_RNA) where: Base-Base interactions energy: -1183.627 where: short stacking energy: -526.045 Base-Backbone interact. energy: 4.369 local terms energy: -645.390061 where: bonds (distance) C4'-P energy: -124.312 bonds (distance) P-C4' energy: -145.182 flat angles C4'-P-C4' energy: -155.684 flat angles P-C4'-P energy: -96.172 tors. eta vs tors. theta energy: -124.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1506.915869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.915869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.915869 (E_RNA) where: Base-Base interactions energy: -981.329 where: short stacking energy: -444.594 Base-Backbone interact. energy: 0.768 local terms energy: -526.354969 where: bonds (distance) C4'-P energy: -119.586 bonds (distance) P-C4' energy: -125.215 flat angles C4'-P-C4' energy: -135.526 flat angles P-C4'-P energy: -75.807 tors. eta vs tors. theta energy: -70.221 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: 4 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1206.290344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.290344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.290344 (E_RNA) where: Base-Base interactions energy: -708.919 where: short stacking energy: -350.285 Base-Backbone interact. energy: 6.770 local terms energy: -504.141698 where: bonds (distance) C4'-P energy: -110.559 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -128.676 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -56.436 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: 1, replica: 10 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3078.541926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.541926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.541926 (E_RNA) where: Base-Base interactions energy: -2198.035 where: short stacking energy: -909.487 Base-Backbone interact. energy: 2.890 local terms energy: -883.396860 where: bonds (distance) C4'-P energy: -152.998 bonds (distance) P-C4' energy: -168.518 flat angles C4'-P-C4' energy: -187.584 flat angles P-C4'-P energy: -129.759 tors. eta vs tors. theta energy: -244.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -2958.307364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.307364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.307364 (E_RNA) where: Base-Base interactions energy: -2047.939 where: short stacking energy: -902.713 Base-Backbone interact. energy: -1.458 local terms energy: -908.909932 where: bonds (distance) C4'-P energy: -159.134 bonds (distance) P-C4' energy: -166.768 flat angles C4'-P-C4' energy: -188.793 flat angles P-C4'-P energy: -123.931 tors. eta vs tors. theta energy: -270.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -2860.844308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.844308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.844308 (E_RNA) where: Base-Base interactions energy: -2000.486 where: short stacking energy: -850.571 Base-Backbone interact. energy: -1.479 local terms energy: -858.879245 where: bonds (distance) C4'-P energy: -148.533 bonds (distance) P-C4' energy: -156.294 flat angles C4'-P-C4' energy: -198.329 flat angles P-C4'-P energy: -124.043 tors. eta vs tors. theta energy: -231.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -2594.594307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.594307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.594307 (E_RNA) where: Base-Base interactions energy: -1778.303 where: short stacking energy: -783.005 Base-Backbone interact. energy: 0.006 local terms energy: -816.297327 where: bonds (distance) C4'-P energy: -148.213 bonds (distance) P-C4' energy: -155.890 flat angles C4'-P-C4' energy: -187.642 flat angles P-C4'-P energy: -113.284 tors. eta vs tors. theta energy: -211.268 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: 484 Temperature: 1.100000 Total energy: -2514.627343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.627343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.627343 (E_RNA) where: Base-Base interactions energy: -1744.763 where: short stacking energy: -743.786 Base-Backbone interact. energy: -5.254 local terms energy: -764.610600 where: bonds (distance) C4'-P energy: -147.330 bonds (distance) P-C4' energy: -135.282 flat angles C4'-P-C4' energy: -175.018 flat angles P-C4'-P energy: -105.074 tors. eta vs tors. theta energy: -201.907 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: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2305.577787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.577787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.577787 (E_RNA) where: Base-Base interactions energy: -1606.530 where: short stacking energy: -700.695 Base-Backbone interact. energy: -2.116 local terms energy: -696.931353 where: bonds (distance) C4'-P energy: -124.296 bonds (distance) P-C4' energy: -130.772 flat angles C4'-P-C4' energy: -161.487 flat angles P-C4'-P energy: -106.526 tors. eta vs tors. theta energy: -173.850 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: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1978.840937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.840937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.840937 (E_RNA) where: Base-Base interactions energy: -1312.012 where: short stacking energy: -575.653 Base-Backbone interact. energy: 5.547 local terms energy: -672.376335 where: bonds (distance) C4'-P energy: -143.944 bonds (distance) P-C4' energy: -148.204 flat angles C4'-P-C4' energy: -149.330 flat angles P-C4'-P energy: -97.732 tors. eta vs tors. theta energy: -133.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1828.767707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.767707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.767707 (E_RNA) where: Base-Base interactions energy: -1233.206 where: short stacking energy: -545.520 Base-Backbone interact. energy: -1.253 local terms energy: -594.309017 where: bonds (distance) C4'-P energy: -118.710 bonds (distance) P-C4' energy: -126.704 flat angles C4'-P-C4' energy: -148.546 flat angles P-C4'-P energy: -96.597 tors. eta vs tors. theta energy: -103.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1523.656743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.656743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.656743 (E_RNA) where: Base-Base interactions energy: -934.625 where: short stacking energy: -417.533 Base-Backbone interact. energy: -3.577 local terms energy: -585.454250 where: bonds (distance) C4'-P energy: -134.216 bonds (distance) P-C4' energy: -147.892 flat angles C4'-P-C4' energy: -137.262 flat angles P-C4'-P energy: -83.674 tors. eta vs tors. theta energy: -82.411 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: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1225.391119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.391119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.391119 (E_RNA) where: Base-Base interactions energy: -719.938 where: short stacking energy: -334.865 Base-Backbone interact. energy: 0.583 local terms energy: -506.036291 where: bonds (distance) C4'-P energy: -128.893 bonds (distance) P-C4' energy: -136.529 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -61.527 tors. eta vs tors. theta energy: -36.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3052.924503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.924503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.924503 (E_RNA) where: Base-Base interactions energy: -2152.574 where: short stacking energy: -874.086 Base-Backbone interact. energy: 0.174 local terms energy: -900.524745 where: bonds (distance) C4'-P energy: -169.271 bonds (distance) P-C4' energy: -163.371 flat angles C4'-P-C4' energy: -198.382 flat angles P-C4'-P energy: -123.556 tors. eta vs tors. theta energy: -245.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -2943.940175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.940175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.940175 (E_RNA) where: Base-Base interactions energy: -2027.437 where: short stacking energy: -890.853 Base-Backbone interact. energy: -2.393 local terms energy: -914.110472 where: bonds (distance) C4'-P energy: -164.383 bonds (distance) P-C4' energy: -170.579 flat angles C4'-P-C4' energy: -186.758 flat angles P-C4'-P energy: -131.692 tors. eta vs tors. theta energy: -260.699 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: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -2858.271618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.271618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.271618 (E_RNA) where: Base-Base interactions energy: -1983.092 where: short stacking energy: -876.162 Base-Backbone interact. energy: -1.104 local terms energy: -874.076309 where: bonds (distance) C4'-P energy: -160.609 bonds (distance) P-C4' energy: -159.296 flat angles C4'-P-C4' energy: -176.796 flat angles P-C4'-P energy: -119.901 tors. eta vs tors. theta energy: -257.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2562.629609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.629609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.629609 (E_RNA) where: Base-Base interactions energy: -1754.275 where: short stacking energy: -763.664 Base-Backbone interact. energy: -4.120 local terms energy: -804.234459 where: bonds (distance) C4'-P energy: -151.508 bonds (distance) P-C4' energy: -161.199 flat angles C4'-P-C4' energy: -181.463 flat angles P-C4'-P energy: -109.083 tors. eta vs tors. theta energy: -200.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2518.855851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.855851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.855851 (E_RNA) where: Base-Base interactions energy: -1718.607 where: short stacking energy: -769.154 Base-Backbone interact. energy: 2.448 local terms energy: -802.696288 where: bonds (distance) C4'-P energy: -147.380 bonds (distance) P-C4' energy: -166.259 flat angles C4'-P-C4' energy: -155.406 flat angles P-C4'-P energy: -122.514 tors. eta vs tors. theta energy: -211.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2304.356747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.356747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.356747 (E_RNA) where: Base-Base interactions energy: -1569.637 where: short stacking energy: -661.685 Base-Backbone interact. energy: 1.793 local terms energy: -736.512676 where: bonds (distance) C4'-P energy: -132.458 bonds (distance) P-C4' energy: -146.576 flat angles C4'-P-C4' energy: -172.765 flat angles P-C4'-P energy: -119.661 tors. eta vs tors. theta energy: -165.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2030.087487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.087487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.087487 (E_RNA) where: Base-Base interactions energy: -1369.981 where: short stacking energy: -607.871 Base-Backbone interact. energy: 3.642 local terms energy: -663.747785 where: bonds (distance) C4'-P energy: -121.733 bonds (distance) P-C4' energy: -135.209 flat angles C4'-P-C4' energy: -162.443 flat angles P-C4'-P energy: -97.012 tors. eta vs tors. theta energy: -147.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1852.016606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.016606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.016606 (E_RNA) where: Base-Base interactions energy: -1242.285 where: short stacking energy: -559.497 Base-Backbone interact. energy: 0.546 local terms energy: -610.277624 where: bonds (distance) C4'-P energy: -143.205 bonds (distance) P-C4' energy: -131.543 flat angles C4'-P-C4' energy: -133.374 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: -119.344 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: 9, replica: 9 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1552.611131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.611131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.611131 (E_RNA) where: Base-Base interactions energy: -1005.117 where: short stacking energy: -446.982 Base-Backbone interact. energy: -2.037 local terms energy: -545.457034 where: bonds (distance) C4'-P energy: -130.587 bonds (distance) P-C4' energy: -135.479 flat angles C4'-P-C4' energy: -151.993 flat angles P-C4'-P energy: -65.774 tors. eta vs tors. theta energy: -61.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1217.616557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.616557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.616557 (E_RNA) where: Base-Base interactions energy: -739.180 where: short stacking energy: -332.975 Base-Backbone interact. energy: -0.214 local terms energy: -478.223003 where: bonds (distance) C4'-P energy: -128.197 bonds (distance) P-C4' energy: -127.401 flat angles C4'-P-C4' energy: -114.583 flat angles P-C4'-P energy: -66.899 tors. eta vs tors. theta energy: -41.143 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: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3084.293407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.293407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.293407 (E_RNA) where: Base-Base interactions energy: -2196.435 where: short stacking energy: -902.209 Base-Backbone interact. energy: -4.113 local terms energy: -883.745950 where: bonds (distance) C4'-P energy: -172.112 bonds (distance) P-C4' energy: -163.847 flat angles C4'-P-C4' energy: -180.453 flat angles P-C4'-P energy: -120.544 tors. eta vs tors. theta energy: -246.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -2958.360108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.360108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.360108 (E_RNA) where: Base-Base interactions energy: -2060.110 where: short stacking energy: -902.934 Base-Backbone interact. energy: -2.894 local terms energy: -895.356139 where: bonds (distance) C4'-P energy: -157.997 bonds (distance) P-C4' energy: -163.202 flat angles C4'-P-C4' energy: -190.055 flat angles P-C4'-P energy: -121.064 tors. eta vs tors. theta energy: -263.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -2861.150972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.150972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.150972 (E_RNA) where: Base-Base interactions energy: -2017.309 where: short stacking energy: -841.876 Base-Backbone interact. energy: -3.611 local terms energy: -840.230226 where: bonds (distance) C4'-P energy: -146.899 bonds (distance) P-C4' energy: -151.946 flat angles C4'-P-C4' energy: -192.842 flat angles P-C4'-P energy: -101.343 tors. eta vs tors. theta energy: -247.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2608.400945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.400945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.400945 (E_RNA) where: Base-Base interactions energy: -1795.605 where: short stacking energy: -786.046 Base-Backbone interact. energy: -0.993 local terms energy: -811.802947 where: bonds (distance) C4'-P energy: -139.926 bonds (distance) P-C4' energy: -161.462 flat angles C4'-P-C4' energy: -171.974 flat angles P-C4'-P energy: -115.138 tors. eta vs tors. theta energy: -223.303 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: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2547.990158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.990158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.990158 (E_RNA) where: Base-Base interactions energy: -1729.368 where: short stacking energy: -771.824 Base-Backbone interact. energy: -0.848 local terms energy: -817.773460 where: bonds (distance) C4'-P energy: -142.576 bonds (distance) P-C4' energy: -153.802 flat angles C4'-P-C4' energy: -188.381 flat angles P-C4'-P energy: -118.636 tors. eta vs tors. theta energy: -214.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2314.030332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.030332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.030332 (E_RNA) where: Base-Base interactions energy: -1602.690 where: short stacking energy: -693.276 Base-Backbone interact. energy: -4.403 local terms energy: -706.937444 where: bonds (distance) C4'-P energy: -113.229 bonds (distance) P-C4' energy: -143.480 flat angles C4'-P-C4' energy: -173.605 flat angles P-C4'-P energy: -91.288 tors. eta vs tors. theta energy: -185.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2063.757006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.757006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.757006 (E_RNA) where: Base-Base interactions energy: -1396.942 where: short stacking energy: -573.336 Base-Backbone interact. energy: -3.374 local terms energy: -663.441591 where: bonds (distance) C4'-P energy: -131.822 bonds (distance) P-C4' energy: -135.845 flat angles C4'-P-C4' energy: -161.742 flat angles P-C4'-P energy: -98.906 tors. eta vs tors. theta energy: -135.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1850.655415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.655415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.655415 (E_RNA) where: Base-Base interactions energy: -1226.222 where: short stacking energy: -530.377 Base-Backbone interact. energy: 2.722 local terms energy: -627.155327 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -144.327 flat angles C4'-P-C4' energy: -149.795 flat angles P-C4'-P energy: -84.780 tors. eta vs tors. theta energy: -115.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1512.838638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.838638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.838638 (E_RNA) where: Base-Base interactions energy: -979.004 where: short stacking energy: -427.156 Base-Backbone interact. energy: -0.869 local terms energy: -532.966030 where: bonds (distance) C4'-P energy: -130.285 bonds (distance) P-C4' energy: -151.571 flat angles C4'-P-C4' energy: -127.383 flat angles P-C4'-P energy: -71.623 tors. eta vs tors. theta energy: -52.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1218.159333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.159333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.159333 (E_RNA) where: Base-Base interactions energy: -717.436 where: short stacking energy: -357.308 Base-Backbone interact. energy: 8.147 local terms energy: -508.869780 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -126.704 flat angles C4'-P-C4' energy: -131.766 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: -37.764 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: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3094.084428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.084428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.084428 (E_RNA) where: Base-Base interactions energy: -2203.359 where: short stacking energy: -910.153 Base-Backbone interact. energy: 4.138 local terms energy: -894.864090 where: bonds (distance) C4'-P energy: -173.695 bonds (distance) P-C4' energy: -148.316 flat angles C4'-P-C4' energy: -191.548 flat angles P-C4'-P energy: -120.350 tors. eta vs tors. theta energy: -260.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -2969.127643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.127643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.127643 (E_RNA) where: Base-Base interactions energy: -2063.264 where: short stacking energy: -906.462 Base-Backbone interact. energy: -2.281 local terms energy: -903.582183 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -152.942 flat angles C4'-P-C4' energy: -203.884 flat angles P-C4'-P energy: -129.221 tors. eta vs tors. theta energy: -264.955 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: 487 Temperature: 1.000000 Total energy: -2845.684370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.684370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.684370 (E_RNA) where: Base-Base interactions energy: -1983.344 where: short stacking energy: -862.454 Base-Backbone interact. energy: 0.013 local terms energy: -862.353788 where: bonds (distance) C4'-P energy: -154.660 bonds (distance) P-C4' energy: -158.717 flat angles C4'-P-C4' energy: -184.472 flat angles P-C4'-P energy: -114.068 tors. eta vs tors. theta energy: -250.438 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: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2628.171083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.171083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.171083 (E_RNA) where: Base-Base interactions energy: -1806.219 where: short stacking energy: -798.978 Base-Backbone interact. energy: -4.683 local terms energy: -817.269601 where: bonds (distance) C4'-P energy: -155.498 bonds (distance) P-C4' energy: -156.966 flat angles C4'-P-C4' energy: -161.615 flat angles P-C4'-P energy: -120.420 tors. eta vs tors. theta energy: -222.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2553.738223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.738223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.738223 (E_RNA) where: Base-Base interactions energy: -1747.062 where: short stacking energy: -779.512 Base-Backbone interact. energy: -0.390 local terms energy: -806.285983 where: bonds (distance) C4'-P energy: -141.492 bonds (distance) P-C4' energy: -152.881 flat angles C4'-P-C4' energy: -179.306 flat angles P-C4'-P energy: -113.423 tors. eta vs tors. theta energy: -219.184 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: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2319.632472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.632472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.632472 (E_RNA) where: Base-Base interactions energy: -1593.750 where: short stacking energy: -693.418 Base-Backbone interact. energy: -0.166 local terms energy: -725.716442 where: bonds (distance) C4'-P energy: -127.735 bonds (distance) P-C4' energy: -150.938 flat angles C4'-P-C4' energy: -162.425 flat angles P-C4'-P energy: -106.662 tors. eta vs tors. theta energy: -177.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2094.385803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.385803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.385803 (E_RNA) where: Base-Base interactions energy: -1419.361 where: short stacking energy: -629.779 Base-Backbone interact. energy: 1.681 local terms energy: -676.705993 where: bonds (distance) C4'-P energy: -133.419 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -143.842 flat angles P-C4'-P energy: -94.854 tors. eta vs tors. theta energy: -166.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1866.099952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.099952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.099952 (E_RNA) where: Base-Base interactions energy: -1237.278 where: short stacking energy: -522.744 Base-Backbone interact. energy: -1.180 local terms energy: -627.641688 where: bonds (distance) C4'-P energy: -122.727 bonds (distance) P-C4' energy: -133.711 flat angles C4'-P-C4' energy: -136.422 flat angles P-C4'-P energy: -106.518 tors. eta vs tors. theta energy: -128.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1466.759874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.759874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.759874 (E_RNA) where: Base-Base interactions energy: -971.262 where: short stacking energy: -434.032 Base-Backbone interact. energy: 0.649 local terms energy: -496.147225 where: bonds (distance) C4'-P energy: -113.905 bonds (distance) P-C4' energy: -130.431 flat angles C4'-P-C4' energy: -136.785 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -57.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1191.002312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.002312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.002312 (E_RNA) where: Base-Base interactions energy: -719.771 where: short stacking energy: -336.673 Base-Backbone interact. energy: 8.762 local terms energy: -479.993105 where: bonds (distance) C4'-P energy: -127.869 bonds (distance) P-C4' energy: -115.616 flat angles C4'-P-C4' energy: -134.319 flat angles P-C4'-P energy: -71.308 tors. eta vs tors. theta energy: -30.880 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: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3080.453660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.453660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.453660 (E_RNA) where: Base-Base interactions energy: -2204.265 where: short stacking energy: -908.076 Base-Backbone interact. energy: -5.200 local terms energy: -870.988606 where: bonds (distance) C4'-P energy: -148.274 bonds (distance) P-C4' energy: -154.546 flat angles C4'-P-C4' energy: -194.824 flat angles P-C4'-P energy: -113.104 tors. eta vs tors. theta energy: -260.241 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: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -2949.981979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.981979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.981979 (E_RNA) where: Base-Base interactions energy: -2065.010 where: short stacking energy: -906.550 Base-Backbone interact. energy: -2.627 local terms energy: -882.345359 where: bonds (distance) C4'-P energy: -160.120 bonds (distance) P-C4' energy: -159.547 flat angles C4'-P-C4' energy: -181.580 flat angles P-C4'-P energy: -121.402 tors. eta vs tors. theta energy: -259.696 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: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -2845.485739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.485739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.485739 (E_RNA) where: Base-Base interactions energy: -1984.337 where: short stacking energy: -824.010 Base-Backbone interact. energy: 5.116 local terms energy: -866.264666 where: bonds (distance) C4'-P energy: -163.776 bonds (distance) P-C4' energy: -148.024 flat angles C4'-P-C4' energy: -192.057 flat angles P-C4'-P energy: -121.289 tors. eta vs tors. theta energy: -241.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -2625.192933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.192933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.192933 (E_RNA) where: Base-Base interactions energy: -1830.831 where: short stacking energy: -806.665 Base-Backbone interact. energy: -3.926 local terms energy: -790.436194 where: bonds (distance) C4'-P energy: -144.172 bonds (distance) P-C4' energy: -140.783 flat angles C4'-P-C4' energy: -181.521 flat angles P-C4'-P energy: -110.737 tors. eta vs tors. theta energy: -213.223 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2531.233857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.233857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.233857 (E_RNA) where: Base-Base interactions energy: -1735.148 where: short stacking energy: -767.389 Base-Backbone interact. energy: -1.113 local terms energy: -794.972838 where: bonds (distance) C4'-P energy: -136.795 bonds (distance) P-C4' energy: -142.360 flat angles C4'-P-C4' energy: -187.373 flat angles P-C4'-P energy: -113.535 tors. eta vs tors. theta energy: -214.910 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: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2298.503633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.503633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.503633 (E_RNA) where: Base-Base interactions energy: -1585.437 where: short stacking energy: -685.722 Base-Backbone interact. energy: -1.151 local terms energy: -711.915798 where: bonds (distance) C4'-P energy: -131.315 bonds (distance) P-C4' energy: -132.971 flat angles C4'-P-C4' energy: -161.300 flat angles P-C4'-P energy: -111.120 tors. eta vs tors. theta energy: -175.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2058.203903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.203903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.203903 (E_RNA) where: Base-Base interactions energy: -1385.266 where: short stacking energy: -617.716 Base-Backbone interact. energy: 0.682 local terms energy: -673.620123 where: bonds (distance) C4'-P energy: -138.571 bonds (distance) P-C4' energy: -134.314 flat angles C4'-P-C4' energy: -158.729 flat angles P-C4'-P energy: -88.329 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: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1952.579326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.579326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.579326 (E_RNA) where: Base-Base interactions energy: -1303.807 where: short stacking energy: -572.419 Base-Backbone interact. energy: -3.832 local terms energy: -644.940752 where: bonds (distance) C4'-P energy: -107.057 bonds (distance) P-C4' energy: -153.629 flat angles C4'-P-C4' energy: -170.188 flat angles P-C4'-P energy: -90.875 tors. eta vs tors. theta energy: -123.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1592.251853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.251853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.251853 (E_RNA) where: Base-Base interactions energy: -1032.853 where: short stacking energy: -461.801 Base-Backbone interact. energy: -1.030 local terms energy: -558.368519 where: bonds (distance) C4'-P energy: -129.987 bonds (distance) P-C4' energy: -148.677 flat angles C4'-P-C4' energy: -111.849 flat angles P-C4'-P energy: -74.697 tors. eta vs tors. theta energy: -93.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1161.430901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.430901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.430901 (E_RNA) where: Base-Base interactions energy: -689.648 where: short stacking energy: -316.185 Base-Backbone interact. energy: -1.130 local terms energy: -470.653204 where: bonds (distance) C4'-P energy: -122.164 bonds (distance) P-C4' energy: -127.658 flat angles C4'-P-C4' energy: -127.971 flat angles P-C4'-P energy: -67.552 tors. eta vs tors. theta energy: -25.308 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: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3064.646797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.646797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.646797 (E_RNA) where: Base-Base interactions energy: -2158.381 where: short stacking energy: -867.229 Base-Backbone interact. energy: -4.456 local terms energy: -901.809652 where: bonds (distance) C4'-P energy: -173.059 bonds (distance) P-C4' energy: -170.129 flat angles C4'-P-C4' energy: -189.292 flat angles P-C4'-P energy: -119.920 tors. eta vs tors. theta energy: -249.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -2916.092553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.092553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.092553 (E_RNA) where: Base-Base interactions energy: -2039.856 where: short stacking energy: -868.950 Base-Backbone interact. energy: 1.601 local terms energy: -877.836948 where: bonds (distance) C4'-P energy: -150.409 bonds (distance) P-C4' energy: -165.192 flat angles C4'-P-C4' energy: -188.741 flat angles P-C4'-P energy: -122.693 tors. eta vs tors. theta energy: -250.801 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: 489 Temperature: 1.000000 Total energy: -2876.738445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.738445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.738445 (E_RNA) where: Base-Base interactions energy: -2012.581 where: short stacking energy: -889.157 Base-Backbone interact. energy: 0.315 local terms energy: -864.472649 where: bonds (distance) C4'-P energy: -136.783 bonds (distance) P-C4' energy: -144.211 flat angles C4'-P-C4' energy: -191.407 flat angles P-C4'-P energy: -129.155 tors. eta vs tors. theta energy: -262.917 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: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2671.324789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.324789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.324789 (E_RNA) where: Base-Base interactions energy: -1831.917 where: short stacking energy: -794.019 Base-Backbone interact. energy: -2.382 local terms energy: -837.025316 where: bonds (distance) C4'-P energy: -158.560 bonds (distance) P-C4' energy: -161.881 flat angles C4'-P-C4' energy: -179.599 flat angles P-C4'-P energy: -104.882 tors. eta vs tors. theta energy: -232.103 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: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2533.920519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.920519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.920519 (E_RNA) where: Base-Base interactions energy: -1729.430 where: short stacking energy: -764.420 Base-Backbone interact. energy: -3.026 local terms energy: -801.464003 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -172.655 flat angles C4'-P-C4' energy: -172.384 flat angles P-C4'-P energy: -117.794 tors. eta vs tors. theta energy: -200.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2297.127923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.127923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.127923 (E_RNA) where: Base-Base interactions energy: -1597.620 where: short stacking energy: -691.841 Base-Backbone interact. energy: 1.734 local terms energy: -701.242509 where: bonds (distance) C4'-P energy: -135.051 bonds (distance) P-C4' energy: -143.506 flat angles C4'-P-C4' energy: -168.666 flat angles P-C4'-P energy: -81.931 tors. eta vs tors. theta energy: -172.088 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: 7, replica: 8 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2066.629282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.629282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.629282 (E_RNA) where: Base-Base interactions energy: -1405.231 where: short stacking energy: -600.264 Base-Backbone interact. energy: -1.318 local terms energy: -660.080547 where: bonds (distance) C4'-P energy: -147.312 bonds (distance) P-C4' energy: -145.619 flat angles C4'-P-C4' energy: -145.371 flat angles P-C4'-P energy: -79.498 tors. eta vs tors. theta energy: -142.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1903.822388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.822388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.822388 (E_RNA) where: Base-Base interactions energy: -1282.830 where: short stacking energy: -553.723 Base-Backbone interact. energy: -1.425 local terms energy: -619.567235 where: bonds (distance) C4'-P energy: -127.798 bonds (distance) P-C4' energy: -152.358 flat angles C4'-P-C4' energy: -136.918 flat angles P-C4'-P energy: -96.583 tors. eta vs tors. theta energy: -105.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1510.698587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.698587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.698587 (E_RNA) where: Base-Base interactions energy: -937.999 where: short stacking energy: -428.882 Base-Backbone interact. energy: -2.594 local terms energy: -570.106107 where: bonds (distance) C4'-P energy: -123.764 bonds (distance) P-C4' energy: -152.045 flat angles C4'-P-C4' energy: -130.535 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -70.334 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: 4 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1219.717527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.717527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.717527 (E_RNA) where: Base-Base interactions energy: -739.806 where: short stacking energy: -345.879 Base-Backbone interact. energy: -0.522 local terms energy: -479.389670 where: bonds (distance) C4'-P energy: -130.421 bonds (distance) P-C4' energy: -125.835 flat angles C4'-P-C4' energy: -121.929 flat angles P-C4'-P energy: -73.283 tors. eta vs tors. theta energy: -27.922 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: 1, replica: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3073.532974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.532974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.532974 (E_RNA) where: Base-Base interactions energy: -2149.652 where: short stacking energy: -867.318 Base-Backbone interact. energy: -2.808 local terms energy: -921.073390 where: bonds (distance) C4'-P energy: -177.684 bonds (distance) P-C4' energy: -169.470 flat angles C4'-P-C4' energy: -193.170 flat angles P-C4'-P energy: -131.635 tors. eta vs tors. theta energy: -249.114 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: 490 Temperature: 0.950000 Total energy: -2903.452791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.452791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.452791 (E_RNA) where: Base-Base interactions energy: -2016.881 where: short stacking energy: -883.639 Base-Backbone interact. energy: 0.174 local terms energy: -886.746077 where: bonds (distance) C4'-P energy: -155.999 bonds (distance) P-C4' energy: -161.563 flat angles C4'-P-C4' energy: -187.380 flat angles P-C4'-P energy: -129.030 tors. eta vs tors. theta energy: -252.774 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: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -2858.276727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.276727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.276727 (E_RNA) where: Base-Base interactions energy: -1975.301 where: short stacking energy: -879.182 Base-Backbone interact. energy: 0.905 local terms energy: -883.881559 where: bonds (distance) C4'-P energy: -159.511 bonds (distance) P-C4' energy: -166.092 flat angles C4'-P-C4' energy: -179.103 flat angles P-C4'-P energy: -127.518 tors. eta vs tors. theta energy: -251.657 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: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2669.402744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.402744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.402744 (E_RNA) where: Base-Base interactions energy: -1842.027 where: short stacking energy: -797.407 Base-Backbone interact. energy: -4.657 local terms energy: -822.718700 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -147.536 flat angles C4'-P-C4' energy: -182.332 flat angles P-C4'-P energy: -112.878 tors. eta vs tors. theta energy: -226.783 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: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -2527.284578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.284578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.284578 (E_RNA) where: Base-Base interactions energy: -1715.614 where: short stacking energy: -754.775 Base-Backbone interact. energy: -0.647 local terms energy: -811.024406 where: bonds (distance) C4'-P energy: -146.304 bonds (distance) P-C4' energy: -163.396 flat angles C4'-P-C4' energy: -172.475 flat angles P-C4'-P energy: -107.953 tors. eta vs tors. theta energy: -220.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2286.622868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2286.622868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2286.622868 (E_RNA) where: Base-Base interactions energy: -1578.551 where: short stacking energy: -661.286 Base-Backbone interact. energy: -3.529 local terms energy: -704.542436 where: bonds (distance) C4'-P energy: -129.968 bonds (distance) P-C4' energy: -143.786 flat angles C4'-P-C4' energy: -156.850 flat angles P-C4'-P energy: -98.939 tors. eta vs tors. theta energy: -175.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2029.684177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.684177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.684177 (E_RNA) where: Base-Base interactions energy: -1361.442 where: short stacking energy: -609.943 Base-Backbone interact. energy: 10.250 local terms energy: -678.492657 where: bonds (distance) C4'-P energy: -132.903 bonds (distance) P-C4' energy: -129.520 flat angles C4'-P-C4' energy: -164.241 flat angles P-C4'-P energy: -111.673 tors. eta vs tors. theta energy: -140.156 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: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1837.881384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.881384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.881384 (E_RNA) where: Base-Base interactions energy: -1232.995 where: short stacking energy: -531.153 Base-Backbone interact. energy: -2.068 local terms energy: -602.818784 where: bonds (distance) C4'-P energy: -114.794 bonds (distance) P-C4' energy: -150.718 flat angles C4'-P-C4' energy: -142.736 flat angles P-C4'-P energy: -83.186 tors. eta vs tors. theta energy: -111.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1489.142078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.142078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.142078 (E_RNA) where: Base-Base interactions energy: -960.720 where: short stacking energy: -429.452 Base-Backbone interact. energy: -0.276 local terms energy: -528.145719 where: bonds (distance) C4'-P energy: -135.506 bonds (distance) P-C4' energy: -113.377 flat angles C4'-P-C4' energy: -123.463 flat angles P-C4'-P energy: -86.202 tors. eta vs tors. theta energy: -69.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1211.113052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.113052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.113052 (E_RNA) where: Base-Base interactions energy: -710.675 where: short stacking energy: -332.882 Base-Backbone interact. energy: -0.954 local terms energy: -499.484388 where: bonds (distance) C4'-P energy: -119.052 bonds (distance) P-C4' energy: -121.958 flat angles C4'-P-C4' energy: -125.593 flat angles P-C4'-P energy: -103.018 tors. eta vs tors. theta energy: -29.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3051.263436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.263436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.263436 (E_RNA) where: Base-Base interactions energy: -2162.124 where: short stacking energy: -896.025 Base-Backbone interact. energy: 1.447 local terms energy: -890.587011 where: bonds (distance) C4'-P energy: -165.228 bonds (distance) P-C4' energy: -168.075 flat angles C4'-P-C4' energy: -185.366 flat angles P-C4'-P energy: -121.524 tors. eta vs tors. theta energy: -250.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -2903.081097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.081097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.081097 (E_RNA) where: Base-Base interactions energy: -2021.766 where: short stacking energy: -903.398 Base-Backbone interact. energy: -0.465 local terms energy: -880.850831 where: bonds (distance) C4'-P energy: -155.442 bonds (distance) P-C4' energy: -165.327 flat angles C4'-P-C4' energy: -180.439 flat angles P-C4'-P energy: -136.646 tors. eta vs tors. theta energy: -242.996 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: 1 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -2847.559775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.559775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.559775 (E_RNA) where: Base-Base interactions energy: -1992.445 where: short stacking energy: -853.643 Base-Backbone interact. energy: -3.094 local terms energy: -852.019903 where: bonds (distance) C4'-P energy: -158.775 bonds (distance) P-C4' energy: -152.274 flat angles C4'-P-C4' energy: -175.467 flat angles P-C4'-P energy: -122.310 tors. eta vs tors. theta energy: -243.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2666.771935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.771935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.771935 (E_RNA) where: Base-Base interactions energy: -1855.761 where: short stacking energy: -809.769 Base-Backbone interact. energy: -5.771 local terms energy: -805.239708 where: bonds (distance) C4'-P energy: -147.927 bonds (distance) P-C4' energy: -159.574 flat angles C4'-P-C4' energy: -180.242 flat angles P-C4'-P energy: -98.106 tors. eta vs tors. theta energy: -219.391 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: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2460.327311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.327311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.327311 (E_RNA) where: Base-Base interactions energy: -1690.657 where: short stacking energy: -727.949 Base-Backbone interact. energy: 5.544 local terms energy: -775.214387 where: bonds (distance) C4'-P energy: -151.858 bonds (distance) P-C4' energy: -149.491 flat angles C4'-P-C4' energy: -170.768 flat angles P-C4'-P energy: -101.972 tors. eta vs tors. theta energy: -201.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -2289.114003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.114003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.114003 (E_RNA) where: Base-Base interactions energy: -1583.927 where: short stacking energy: -678.414 Base-Backbone interact. energy: -3.860 local terms energy: -701.327202 where: bonds (distance) C4'-P energy: -147.072 bonds (distance) P-C4' energy: -141.588 flat angles C4'-P-C4' energy: -159.933 flat angles P-C4'-P energy: -92.154 tors. eta vs tors. theta energy: -160.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1967.112743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.112743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.112743 (E_RNA) where: Base-Base interactions energy: -1318.060 where: short stacking energy: -587.040 Base-Backbone interact. energy: -0.648 local terms energy: -648.404549 where: bonds (distance) C4'-P energy: -121.873 bonds (distance) P-C4' energy: -163.551 flat angles C4'-P-C4' energy: -161.046 flat angles P-C4'-P energy: -82.079 tors. eta vs tors. theta energy: -119.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1918.293699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.293699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.293699 (E_RNA) where: Base-Base interactions energy: -1273.875 where: short stacking energy: -520.601 Base-Backbone interact. energy: -2.045 local terms energy: -642.374001 where: bonds (distance) C4'-P energy: -134.802 bonds (distance) P-C4' energy: -151.837 flat angles C4'-P-C4' energy: -144.619 flat angles P-C4'-P energy: -86.396 tors. eta vs tors. theta energy: -124.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1483.011147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.011147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.011147 (E_RNA) where: Base-Base interactions energy: -949.809 where: short stacking energy: -417.979 Base-Backbone interact. energy: -1.161 local terms energy: -532.041817 where: bonds (distance) C4'-P energy: -116.985 bonds (distance) P-C4' energy: -144.115 flat angles C4'-P-C4' energy: -116.744 flat angles P-C4'-P energy: -93.134 tors. eta vs tors. theta energy: -61.063 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: 4 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1196.217332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.217332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.217332 (E_RNA) where: Base-Base interactions energy: -734.386 where: short stacking energy: -349.793 Base-Backbone interact. energy: -4.042 local terms energy: -457.789176 where: bonds (distance) C4'-P energy: -133.688 bonds (distance) P-C4' energy: -108.737 flat angles C4'-P-C4' energy: -123.700 flat angles P-C4'-P energy: -70.740 tors. eta vs tors. theta energy: -20.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3076.007908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.007908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.007908 (E_RNA) where: Base-Base interactions energy: -2163.863 where: short stacking energy: -894.922 Base-Backbone interact. energy: 0.453 local terms energy: -912.597408 where: bonds (distance) C4'-P energy: -170.974 bonds (distance) P-C4' energy: -174.108 flat angles C4'-P-C4' energy: -185.191 flat angles P-C4'-P energy: -135.209 tors. eta vs tors. theta energy: -247.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -2905.565552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.565552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.565552 (E_RNA) where: Base-Base interactions energy: -1993.259 where: short stacking energy: -873.503 Base-Backbone interact. energy: 2.498 local terms energy: -914.805476 where: bonds (distance) C4'-P energy: -159.633 bonds (distance) P-C4' energy: -170.572 flat angles C4'-P-C4' energy: -198.316 flat angles P-C4'-P energy: -131.968 tors. eta vs tors. theta energy: -254.317 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: 1 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -2839.779246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.779246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.779246 (E_RNA) where: Base-Base interactions energy: -1978.293 where: short stacking energy: -858.048 Base-Backbone interact. energy: -1.282 local terms energy: -860.203903 where: bonds (distance) C4'-P energy: -168.756 bonds (distance) P-C4' energy: -154.216 flat angles C4'-P-C4' energy: -176.346 flat angles P-C4'-P energy: -124.172 tors. eta vs tors. theta energy: -236.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2684.703300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.703300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.703300 (E_RNA) where: Base-Base interactions energy: -1852.840 where: short stacking energy: -807.703 Base-Backbone interact. energy: 0.238 local terms energy: -832.101187 where: bonds (distance) C4'-P energy: -149.093 bonds (distance) P-C4' energy: -164.983 flat angles C4'-P-C4' energy: -176.573 flat angles P-C4'-P energy: -111.081 tors. eta vs tors. theta energy: -230.372 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: 7 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2379.012926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.012926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.012926 (E_RNA) where: Base-Base interactions energy: -1598.273 where: short stacking energy: -661.202 Base-Backbone interact. energy: -3.445 local terms energy: -777.294600 where: bonds (distance) C4'-P energy: -152.880 bonds (distance) P-C4' energy: -148.431 flat angles C4'-P-C4' energy: -186.696 flat angles P-C4'-P energy: -104.591 tors. eta vs tors. theta energy: -184.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2355.592730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.592730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.592730 (E_RNA) where: Base-Base interactions energy: -1654.489 where: short stacking energy: -703.191 Base-Backbone interact. energy: -2.790 local terms energy: -698.314030 where: bonds (distance) C4'-P energy: -116.961 bonds (distance) P-C4' energy: -143.506 flat angles C4'-P-C4' energy: -163.265 flat angles P-C4'-P energy: -88.650 tors. eta vs tors. theta energy: -185.933 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: 7, replica: 8 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2008.015867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.015867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.015867 (E_RNA) where: Base-Base interactions energy: -1334.973 where: short stacking energy: -596.454 Base-Backbone interact. energy: 1.898 local terms energy: -674.940281 where: bonds (distance) C4'-P energy: -138.316 bonds (distance) P-C4' energy: -143.463 flat angles C4'-P-C4' energy: -151.015 flat angles P-C4'-P energy: -109.128 tors. eta vs tors. theta energy: -133.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1891.190128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.190128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.190128 (E_RNA) where: Base-Base interactions energy: -1287.073 where: short stacking energy: -517.973 Base-Backbone interact. energy: 1.594 local terms energy: -605.711065 where: bonds (distance) C4'-P energy: -141.851 bonds (distance) P-C4' energy: -139.400 flat angles C4'-P-C4' energy: -135.290 flat angles P-C4'-P energy: -64.692 tors. eta vs tors. theta energy: -124.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1487.465625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.465625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.465625 (E_RNA) where: Base-Base interactions energy: -908.042 where: short stacking energy: -445.987 Base-Backbone interact. energy: -0.950 local terms energy: -578.474048 where: bonds (distance) C4'-P energy: -131.641 bonds (distance) P-C4' energy: -148.416 flat angles C4'-P-C4' energy: -121.105 flat angles P-C4'-P energy: -89.422 tors. eta vs tors. theta energy: -87.891 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: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1197.109350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.109350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.109350 (E_RNA) where: Base-Base interactions energy: -723.044 where: short stacking energy: -349.987 Base-Backbone interact. energy: 2.731 local terms energy: -476.796416 where: bonds (distance) C4'-P energy: -110.276 bonds (distance) P-C4' energy: -151.956 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -67.170 tors. eta vs tors. theta energy: -41.141 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: 10 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3072.339698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.339698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.339698 (E_RNA) where: Base-Base interactions energy: -2164.454 where: short stacking energy: -895.147 Base-Backbone interact. energy: -4.618 local terms energy: -903.268261 where: bonds (distance) C4'-P energy: -164.382 bonds (distance) P-C4' energy: -162.906 flat angles C4'-P-C4' energy: -184.213 flat angles P-C4'-P energy: -134.938 tors. eta vs tors. theta energy: -256.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -2921.728102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.728102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.728102 (E_RNA) where: Base-Base interactions energy: -2011.252 where: short stacking energy: -875.255 Base-Backbone interact. energy: -0.239 local terms energy: -910.237306 where: bonds (distance) C4'-P energy: -174.397 bonds (distance) P-C4' energy: -162.585 flat angles C4'-P-C4' energy: -176.591 flat angles P-C4'-P energy: -131.868 tors. eta vs tors. theta energy: -264.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -2808.162101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.162101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.162101 (E_RNA) where: Base-Base interactions energy: -1953.145 where: short stacking energy: -852.444 Base-Backbone interact. energy: -5.553 local terms energy: -849.463521 where: bonds (distance) C4'-P energy: -145.993 bonds (distance) P-C4' energy: -152.084 flat angles C4'-P-C4' energy: -187.418 flat angles P-C4'-P energy: -124.912 tors. eta vs tors. theta energy: -239.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2687.147644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.147644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.147644 (E_RNA) where: Base-Base interactions energy: -1870.069 where: short stacking energy: -820.897 Base-Backbone interact. energy: -4.369 local terms energy: -812.710011 where: bonds (distance) C4'-P energy: -136.351 bonds (distance) P-C4' energy: -150.665 flat angles C4'-P-C4' energy: -172.319 flat angles P-C4'-P energy: -124.919 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: 5, replica: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2399.853981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.853981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.853981 (E_RNA) where: Base-Base interactions energy: -1626.744 where: short stacking energy: -675.612 Base-Backbone interact. energy: -5.906 local terms energy: -767.203850 where: bonds (distance) C4'-P energy: -161.397 bonds (distance) P-C4' energy: -156.721 flat angles C4'-P-C4' energy: -178.675 flat angles P-C4'-P energy: -98.627 tors. eta vs tors. theta energy: -171.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2389.459217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.459217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.459217 (E_RNA) where: Base-Base interactions energy: -1642.388 where: short stacking energy: -773.579 Base-Backbone interact. energy: -0.411 local terms energy: -746.660374 where: bonds (distance) C4'-P energy: -140.224 bonds (distance) P-C4' energy: -143.910 flat angles C4'-P-C4' energy: -179.282 flat angles P-C4'-P energy: -97.725 tors. eta vs tors. theta energy: -185.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2108.333757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.333757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.333757 (E_RNA) where: Base-Base interactions energy: -1420.057 where: short stacking energy: -602.250 Base-Backbone interact. energy: -3.286 local terms energy: -684.991702 where: bonds (distance) C4'-P energy: -142.290 bonds (distance) P-C4' energy: -124.082 flat angles C4'-P-C4' energy: -176.559 flat angles P-C4'-P energy: -89.273 tors. eta vs tors. theta energy: -152.788 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: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1924.925656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.925656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.925656 (E_RNA) where: Base-Base interactions energy: -1300.596 where: short stacking energy: -549.779 Base-Backbone interact. energy: 1.392 local terms energy: -625.721445 where: bonds (distance) C4'-P energy: -145.239 bonds (distance) P-C4' energy: -135.772 flat angles C4'-P-C4' energy: -139.016 flat angles P-C4'-P energy: -79.494 tors. eta vs tors. theta energy: -126.201 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: 9, replica: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1567.427345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.427345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.427345 (E_RNA) where: Base-Base interactions energy: -1030.665 where: short stacking energy: -464.863 Base-Backbone interact. energy: -1.630 local terms energy: -535.132762 where: bonds (distance) C4'-P energy: -114.389 bonds (distance) P-C4' energy: -126.225 flat angles C4'-P-C4' energy: -144.084 flat angles P-C4'-P energy: -63.987 tors. eta vs tors. theta energy: -86.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1226.139239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.139239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.139239 (E_RNA) where: Base-Base interactions energy: -728.133 where: short stacking energy: -352.377 Base-Backbone interact. energy: -0.932 local terms energy: -497.073630 where: bonds (distance) C4'-P energy: -118.932 bonds (distance) P-C4' energy: -129.014 flat angles C4'-P-C4' energy: -139.667 flat angles P-C4'-P energy: -81.348 tors. eta vs tors. theta energy: -28.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3081.593800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.593800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.593800 (E_RNA) where: Base-Base interactions energy: -2199.515 where: short stacking energy: -887.437 Base-Backbone interact. energy: -0.646 local terms energy: -881.432196 where: bonds (distance) C4'-P energy: -155.455 bonds (distance) P-C4' energy: -156.579 flat angles C4'-P-C4' energy: -191.917 flat angles P-C4'-P energy: -132.665 tors. eta vs tors. theta energy: -244.816 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: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -2911.718772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.718772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.718772 (E_RNA) where: Base-Base interactions energy: -2008.416 where: short stacking energy: -888.942 Base-Backbone interact. energy: -1.913 local terms energy: -901.390234 where: bonds (distance) C4'-P energy: -176.157 bonds (distance) P-C4' energy: -161.109 flat angles C4'-P-C4' energy: -195.958 flat angles P-C4'-P energy: -112.855 tors. eta vs tors. theta energy: -255.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -2845.859324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.859324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.859324 (E_RNA) where: Base-Base interactions energy: -1977.752 where: short stacking energy: -880.127 Base-Backbone interact. energy: 0.332 local terms energy: -868.439688 where: bonds (distance) C4'-P energy: -164.819 bonds (distance) P-C4' energy: -143.559 flat angles C4'-P-C4' energy: -182.096 flat angles P-C4'-P energy: -136.186 tors. eta vs tors. theta energy: -241.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2683.908851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.908851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.908851 (E_RNA) where: Base-Base interactions energy: -1881.488 where: short stacking energy: -830.942 Base-Backbone interact. energy: -2.862 local terms energy: -799.558768 where: bonds (distance) C4'-P energy: -146.265 bonds (distance) P-C4' energy: -154.878 flat angles C4'-P-C4' energy: -167.015 flat angles P-C4'-P energy: -104.842 tors. eta vs tors. theta energy: -226.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2337.185904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.185904 (E_RNA) where: Base-Base interactions energy: -1575.662 where: short stacking energy: -671.542 Base-Backbone interact. energy: -2.975 local terms energy: -758.549320 where: bonds (distance) C4'-P energy: -154.832 bonds (distance) P-C4' energy: -162.964 flat angles C4'-P-C4' energy: -163.296 flat angles P-C4'-P energy: -120.546 tors. eta vs tors. theta energy: -156.911 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: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2357.115706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.115706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.115706 (E_RNA) where: Base-Base interactions energy: -1641.210 where: short stacking energy: -697.029 Base-Backbone interact. energy: 3.258 local terms energy: -719.163666 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -152.518 flat angles C4'-P-C4' energy: -162.402 flat angles P-C4'-P energy: -86.127 tors. eta vs tors. theta energy: -178.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2113.950612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.950612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.950612 (E_RNA) where: Base-Base interactions energy: -1402.600 where: short stacking energy: -593.670 Base-Backbone interact. energy: 0.029 local terms energy: -711.379102 where: bonds (distance) C4'-P energy: -168.496 bonds (distance) P-C4' energy: -141.218 flat angles C4'-P-C4' energy: -139.612 flat angles P-C4'-P energy: -106.450 tors. eta vs tors. theta energy: -155.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1932.700858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.700858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.700858 (E_RNA) where: Base-Base interactions energy: -1330.386 where: short stacking energy: -563.038 Base-Backbone interact. energy: -1.014 local terms energy: -601.300902 where: bonds (distance) C4'-P energy: -120.697 bonds (distance) P-C4' energy: -143.771 flat angles C4'-P-C4' energy: -133.075 flat angles P-C4'-P energy: -85.658 tors. eta vs tors. theta energy: -118.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1633.148814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.148814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.148814 (E_RNA) where: Base-Base interactions energy: -1047.607 where: short stacking energy: -469.539 Base-Backbone interact. energy: -1.061 local terms energy: -584.480680 where: bonds (distance) C4'-P energy: -147.349 bonds (distance) P-C4' energy: -139.648 flat angles C4'-P-C4' energy: -139.095 flat angles P-C4'-P energy: -70.109 tors. eta vs tors. theta energy: -88.281 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: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1201.738623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.738623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.738623 (E_RNA) where: Base-Base interactions energy: -699.147 where: short stacking energy: -340.185 Base-Backbone interact. energy: 0.790 local terms energy: -503.381466 where: bonds (distance) C4'-P energy: -120.583 bonds (distance) P-C4' energy: -150.450 flat angles C4'-P-C4' energy: -121.333 flat angles P-C4'-P energy: -80.503 tors. eta vs tors. theta energy: -30.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3078.122969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.122969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.122969 (E_RNA) where: Base-Base interactions energy: -2181.897 where: short stacking energy: -897.227 Base-Backbone interact. energy: -1.360 local terms energy: -894.865533 where: bonds (distance) C4'-P energy: -161.283 bonds (distance) P-C4' energy: -161.752 flat angles C4'-P-C4' energy: -195.382 flat angles P-C4'-P energy: -127.177 tors. eta vs tors. theta energy: -249.272 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: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -2911.047375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.047375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.047375 (E_RNA) where: Base-Base interactions energy: -2021.958 where: short stacking energy: -889.369 Base-Backbone interact. energy: -2.186 local terms energy: -886.903357 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -162.166 flat angles C4'-P-C4' energy: -190.192 flat angles P-C4'-P energy: -134.343 tors. eta vs tors. theta energy: -252.106 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: 495 Temperature: 1.000000 Total energy: -2886.395821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.395821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.395821 (E_RNA) where: Base-Base interactions energy: -2003.731 where: short stacking energy: -858.294 Base-Backbone interact. energy: -2.283 local terms energy: -880.381618 where: bonds (distance) C4'-P energy: -163.106 bonds (distance) P-C4' energy: -151.665 flat angles C4'-P-C4' energy: -191.412 flat angles P-C4'-P energy: -131.555 tors. eta vs tors. theta energy: -242.644 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: 5 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2641.553803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.553803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.553803 (E_RNA) where: Base-Base interactions energy: -1835.266 where: short stacking energy: -799.997 Base-Backbone interact. energy: -1.486 local terms energy: -804.802409 where: bonds (distance) C4'-P energy: -143.830 bonds (distance) P-C4' energy: -169.607 flat angles C4'-P-C4' energy: -168.454 flat angles P-C4'-P energy: -101.282 tors. eta vs tors. theta energy: -221.629 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: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2367.728171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.728171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.728171 (E_RNA) where: Base-Base interactions energy: -1674.681 where: short stacking energy: -706.596 Base-Backbone interact. energy: -2.270 local terms energy: -690.776638 where: bonds (distance) C4'-P energy: -131.644 bonds (distance) P-C4' energy: -143.944 flat angles C4'-P-C4' energy: -156.046 flat angles P-C4'-P energy: -94.650 tors. eta vs tors. theta energy: -164.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2331.378017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.378017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.378017 (E_RNA) where: Base-Base interactions energy: -1636.492 where: short stacking energy: -696.692 Base-Backbone interact. energy: 1.014 local terms energy: -695.899724 where: bonds (distance) C4'-P energy: -141.553 bonds (distance) P-C4' energy: -129.384 flat angles C4'-P-C4' energy: -164.354 flat angles P-C4'-P energy: -95.754 tors. eta vs tors. theta energy: -164.856 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: 8 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2100.359928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.359928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.359928 (E_RNA) where: Base-Base interactions energy: -1393.343 where: short stacking energy: -586.571 Base-Backbone interact. energy: -0.568 local terms energy: -706.448975 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -151.336 flat angles C4'-P-C4' energy: -157.704 flat angles P-C4'-P energy: -102.539 tors. eta vs tors. theta energy: -154.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1941.522023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.522023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.522023 (E_RNA) where: Base-Base interactions energy: -1335.588 where: short stacking energy: -580.312 Base-Backbone interact. energy: 2.874 local terms energy: -608.808147 where: bonds (distance) C4'-P energy: -144.043 bonds (distance) P-C4' energy: -126.940 flat angles C4'-P-C4' energy: -142.864 flat angles P-C4'-P energy: -84.915 tors. eta vs tors. theta energy: -110.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1536.476686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.476686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.476686 (E_RNA) where: Base-Base interactions energy: -979.818 where: short stacking energy: -434.102 Base-Backbone interact. energy: -0.814 local terms energy: -555.845158 where: bonds (distance) C4'-P energy: -121.542 bonds (distance) P-C4' energy: -156.048 flat angles C4'-P-C4' energy: -122.620 flat angles P-C4'-P energy: -82.674 tors. eta vs tors. theta energy: -72.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1176.063060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.063060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.063060 (E_RNA) where: Base-Base interactions energy: -700.021 where: short stacking energy: -345.098 Base-Backbone interact. energy: -2.305 local terms energy: -473.736330 where: bonds (distance) C4'-P energy: -122.503 bonds (distance) P-C4' energy: -139.969 flat angles C4'-P-C4' energy: -123.193 flat angles P-C4'-P energy: -66.739 tors. eta vs tors. theta energy: -21.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3065.262478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.262478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.262478 (E_RNA) where: Base-Base interactions energy: -2163.849 where: short stacking energy: -868.452 Base-Backbone interact. energy: -2.860 local terms energy: -898.554007 where: bonds (distance) C4'-P energy: -174.190 bonds (distance) P-C4' energy: -149.909 flat angles C4'-P-C4' energy: -192.861 flat angles P-C4'-P energy: -138.167 tors. eta vs tors. theta energy: -243.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -2925.390820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.390820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.390820 (E_RNA) where: Base-Base interactions energy: -2010.441 where: short stacking energy: -887.770 Base-Backbone interact. energy: -0.078 local terms energy: -914.871718 where: bonds (distance) C4'-P energy: -157.573 bonds (distance) P-C4' energy: -169.317 flat angles C4'-P-C4' energy: -185.320 flat angles P-C4'-P energy: -138.003 tors. eta vs tors. theta energy: -264.659 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: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -2819.417718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.417718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.417718 (E_RNA) where: Base-Base interactions energy: -1982.967 where: short stacking energy: -819.347 Base-Backbone interact. energy: -3.539 local terms energy: -832.911381 where: bonds (distance) C4'-P energy: -143.798 bonds (distance) P-C4' energy: -162.366 flat angles C4'-P-C4' energy: -177.798 flat angles P-C4'-P energy: -118.320 tors. eta vs tors. theta energy: -230.629 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: 5 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2624.777000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.777000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.777000 (E_RNA) where: Base-Base interactions energy: -1795.456 where: short stacking energy: -787.300 Base-Backbone interact. energy: -2.624 local terms energy: -826.697187 where: bonds (distance) C4'-P energy: -143.716 bonds (distance) P-C4' energy: -137.705 flat angles C4'-P-C4' energy: -192.171 flat angles P-C4'-P energy: -125.049 tors. eta vs tors. theta energy: -228.056 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: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2443.509994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.509994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.509994 (E_RNA) where: Base-Base interactions energy: -1704.165 where: short stacking energy: -740.706 Base-Backbone interact. energy: 0.668 local terms energy: -740.013733 where: bonds (distance) C4'-P energy: -133.512 bonds (distance) P-C4' energy: -146.718 flat angles C4'-P-C4' energy: -163.344 flat angles P-C4'-P energy: -98.080 tors. eta vs tors. theta energy: -198.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2357.575837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.575837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.575837 (E_RNA) where: Base-Base interactions energy: -1634.256 where: short stacking energy: -703.142 Base-Backbone interact. energy: 1.181 local terms energy: -724.501372 where: bonds (distance) C4'-P energy: -127.926 bonds (distance) P-C4' energy: -160.150 flat angles C4'-P-C4' energy: -170.365 flat angles P-C4'-P energy: -96.935 tors. eta vs tors. theta energy: -169.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2057.392125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.392125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.392125 (E_RNA) where: Base-Base interactions energy: -1369.980 where: short stacking energy: -577.368 Base-Backbone interact. energy: -4.202 local terms energy: -683.210217 where: bonds (distance) C4'-P energy: -143.692 bonds (distance) P-C4' energy: -150.339 flat angles C4'-P-C4' energy: -167.886 flat angles P-C4'-P energy: -86.455 tors. eta vs tors. theta energy: -134.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1918.886233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.886233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.886233 (E_RNA) where: Base-Base interactions energy: -1294.798 where: short stacking energy: -534.078 Base-Backbone interact. energy: -1.424 local terms energy: -622.663784 where: bonds (distance) C4'-P energy: -122.643 bonds (distance) P-C4' energy: -147.844 flat angles C4'-P-C4' energy: -143.421 flat angles P-C4'-P energy: -79.252 tors. eta vs tors. theta energy: -129.503 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: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1628.403436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.403436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.403436 (E_RNA) where: Base-Base interactions energy: -1079.308 where: short stacking energy: -447.631 Base-Backbone interact. energy: -2.593 local terms energy: -546.501627 where: bonds (distance) C4'-P energy: -121.295 bonds (distance) P-C4' energy: -143.452 flat angles C4'-P-C4' energy: -140.659 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -65.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1182.032014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.032014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.032014 (E_RNA) where: Base-Base interactions energy: -716.507 where: short stacking energy: -357.181 Base-Backbone interact. energy: 2.641 local terms energy: -468.165874 where: bonds (distance) C4'-P energy: -141.581 bonds (distance) P-C4' energy: -118.034 flat angles C4'-P-C4' energy: -99.056 flat angles P-C4'-P energy: -76.572 tors. eta vs tors. theta energy: -32.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3069.143651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.143651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.143651 (E_RNA) where: Base-Base interactions energy: -2177.772 where: short stacking energy: -891.819 Base-Backbone interact. energy: -2.494 local terms energy: -888.877126 where: bonds (distance) C4'-P energy: -154.657 bonds (distance) P-C4' energy: -152.244 flat angles C4'-P-C4' energy: -195.370 flat angles P-C4'-P energy: -130.562 tors. eta vs tors. theta energy: -256.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -2937.549058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.549058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.549058 (E_RNA) where: Base-Base interactions energy: -2053.154 where: short stacking energy: -913.422 Base-Backbone interact. energy: 0.283 local terms energy: -884.678758 where: bonds (distance) C4'-P energy: -149.477 bonds (distance) P-C4' energy: -143.972 flat angles C4'-P-C4' energy: -191.247 flat angles P-C4'-P energy: -135.547 tors. eta vs tors. theta energy: -264.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -2816.249018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.249018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.249018 (E_RNA) where: Base-Base interactions energy: -1994.360 where: short stacking energy: -867.992 Base-Backbone interact. energy: -0.680 local terms energy: -821.209549 where: bonds (distance) C4'-P energy: -132.702 bonds (distance) P-C4' energy: -155.879 flat angles C4'-P-C4' energy: -179.731 flat angles P-C4'-P energy: -115.303 tors. eta vs tors. theta energy: -237.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2630.840832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.840832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.840832 (E_RNA) where: Base-Base interactions energy: -1790.356 where: short stacking energy: -773.506 Base-Backbone interact. energy: 2.586 local terms energy: -843.070764 where: bonds (distance) C4'-P energy: -156.695 bonds (distance) P-C4' energy: -164.645 flat angles C4'-P-C4' energy: -170.526 flat angles P-C4'-P energy: -129.801 tors. eta vs tors. theta energy: -221.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2490.567148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.567148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.567148 (E_RNA) where: Base-Base interactions energy: -1707.759 where: short stacking energy: -759.497 Base-Backbone interact. energy: -3.409 local terms energy: -779.399122 where: bonds (distance) C4'-P energy: -129.373 bonds (distance) P-C4' energy: -170.666 flat angles C4'-P-C4' energy: -172.923 flat angles P-C4'-P energy: -93.669 tors. eta vs tors. theta energy: -212.768 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: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2347.649833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.649833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.649833 (E_RNA) where: Base-Base interactions energy: -1613.934 where: short stacking energy: -681.732 Base-Backbone interact. energy: -0.281 local terms energy: -733.434697 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -151.113 flat angles C4'-P-C4' energy: -169.647 flat angles P-C4'-P energy: -107.224 tors. eta vs tors. theta energy: -154.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2118.573134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.573134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.573134 (E_RNA) where: Base-Base interactions energy: -1440.139 where: short stacking energy: -638.986 Base-Backbone interact. energy: -3.386 local terms energy: -675.048516 where: bonds (distance) C4'-P energy: -136.899 bonds (distance) P-C4' energy: -150.685 flat angles C4'-P-C4' energy: -148.253 flat angles P-C4'-P energy: -79.396 tors. eta vs tors. theta energy: -159.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1854.577114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.577114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.577114 (E_RNA) where: Base-Base interactions energy: -1264.939 where: short stacking energy: -536.766 Base-Backbone interact. energy: 0.543 local terms energy: -590.181152 where: bonds (distance) C4'-P energy: -131.359 bonds (distance) P-C4' energy: -121.384 flat angles C4'-P-C4' energy: -148.363 flat angles P-C4'-P energy: -79.855 tors. eta vs tors. theta energy: -109.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1611.594618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.594618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.594618 (E_RNA) where: Base-Base interactions energy: -1072.080 where: short stacking energy: -478.806 Base-Backbone interact. energy: -3.631 local terms energy: -535.883549 where: bonds (distance) C4'-P energy: -136.010 bonds (distance) P-C4' energy: -128.904 flat angles C4'-P-C4' energy: -137.604 flat angles P-C4'-P energy: -67.100 tors. eta vs tors. theta energy: -66.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1175.909195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.909195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.909195 (E_RNA) where: Base-Base interactions energy: -664.673 where: short stacking energy: -332.176 Base-Backbone interact. energy: -1.562 local terms energy: -509.674322 where: bonds (distance) C4'-P energy: -140.422 bonds (distance) P-C4' energy: -140.593 flat angles C4'-P-C4' energy: -136.875 flat angles P-C4'-P energy: -68.274 tors. eta vs tors. theta energy: -23.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3062.829271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.829271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.829271 (E_RNA) where: Base-Base interactions energy: -2164.394 where: short stacking energy: -869.116 Base-Backbone interact. energy: 1.878 local terms energy: -900.313834 where: bonds (distance) C4'-P energy: -163.636 bonds (distance) P-C4' energy: -171.731 flat angles C4'-P-C4' energy: -193.108 flat angles P-C4'-P energy: -124.290 tors. eta vs tors. theta energy: -247.548 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: 498 Temperature: 0.950000 Total energy: -2933.708086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.708086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.708086 (E_RNA) where: Base-Base interactions energy: -2031.177 where: short stacking energy: -889.222 Base-Backbone interact. energy: -1.750 local terms energy: -900.780824 where: bonds (distance) C4'-P energy: -158.973 bonds (distance) P-C4' energy: -173.544 flat angles C4'-P-C4' energy: -184.152 flat angles P-C4'-P energy: -116.716 tors. eta vs tors. theta energy: -267.397 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: 498 Temperature: 1.000000 Total energy: -2848.638037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.638037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.638037 (E_RNA) where: Base-Base interactions energy: -2015.727 where: short stacking energy: -839.175 Base-Backbone interact. energy: -2.695 local terms energy: -830.215962 where: bonds (distance) C4'-P energy: -145.856 bonds (distance) P-C4' energy: -173.981 flat angles C4'-P-C4' energy: -165.568 flat angles P-C4'-P energy: -104.413 tors. eta vs tors. theta energy: -240.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2602.429771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.429771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.429771 (E_RNA) where: Base-Base interactions energy: -1784.664 where: short stacking energy: -768.041 Base-Backbone interact. energy: -3.200 local terms energy: -814.565540 where: bonds (distance) C4'-P energy: -160.410 bonds (distance) P-C4' energy: -148.566 flat angles C4'-P-C4' energy: -186.856 flat angles P-C4'-P energy: -103.612 tors. eta vs tors. theta energy: -215.121 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: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2529.647200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.647200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.647200 (E_RNA) where: Base-Base interactions energy: -1737.427 where: short stacking energy: -761.816 Base-Backbone interact. energy: -1.884 local terms energy: -790.335785 where: bonds (distance) C4'-P energy: -139.522 bonds (distance) P-C4' energy: -159.623 flat angles C4'-P-C4' energy: -177.156 flat angles P-C4'-P energy: -98.735 tors. eta vs tors. theta energy: -215.300 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: 7 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2352.666866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.666866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.666866 (E_RNA) where: Base-Base interactions energy: -1629.094 where: short stacking energy: -700.944 Base-Backbone interact. energy: 0.712 local terms energy: -724.284983 where: bonds (distance) C4'-P energy: -150.581 bonds (distance) P-C4' energy: -152.954 flat angles C4'-P-C4' energy: -159.867 flat angles P-C4'-P energy: -93.713 tors. eta vs tors. theta energy: -167.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2104.317792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.317792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.317792 (E_RNA) where: Base-Base interactions energy: -1404.978 where: short stacking energy: -611.168 Base-Backbone interact. energy: -2.656 local terms energy: -696.684002 where: bonds (distance) C4'-P energy: -123.915 bonds (distance) P-C4' energy: -153.833 flat angles C4'-P-C4' energy: -163.086 flat angles P-C4'-P energy: -106.848 tors. eta vs tors. theta energy: -149.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1895.278870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.278870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.278870 (E_RNA) where: Base-Base interactions energy: -1304.889 where: short stacking energy: -558.406 Base-Backbone interact. energy: -2.225 local terms energy: -588.164903 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -127.819 flat angles C4'-P-C4' energy: -139.307 flat angles P-C4'-P energy: -81.124 tors. eta vs tors. theta energy: -103.423 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: 9 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1616.069983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.069983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.069983 (E_RNA) where: Base-Base interactions energy: -1053.927 where: short stacking energy: -481.705 Base-Backbone interact. energy: 1.405 local terms energy: -563.548330 where: bonds (distance) C4'-P energy: -130.923 bonds (distance) P-C4' energy: -124.083 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -76.346 tors. eta vs tors. theta energy: -105.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1149.022233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.022233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.022233 (E_RNA) where: Base-Base interactions energy: -692.755 where: short stacking energy: -318.263 Base-Backbone interact. energy: -1.059 local terms energy: -455.208802 where: bonds (distance) C4'-P energy: -127.602 bonds (distance) P-C4' energy: -126.402 flat angles C4'-P-C4' energy: -107.083 flat angles P-C4'-P energy: -71.157 tors. eta vs tors. theta energy: -22.964 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: 10 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3087.810544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.810544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.810544 (E_RNA) where: Base-Base interactions energy: -2187.979 where: short stacking energy: -894.346 Base-Backbone interact. energy: -3.721 local terms energy: -896.110424 where: bonds (distance) C4'-P energy: -153.699 bonds (distance) P-C4' energy: -167.583 flat angles C4'-P-C4' energy: -191.976 flat angles P-C4'-P energy: -134.512 tors. eta vs tors. theta energy: -248.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -2920.140227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.140227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.140227 (E_RNA) where: Base-Base interactions energy: -2024.064 where: short stacking energy: -878.494 Base-Backbone interact. energy: -3.923 local terms energy: -892.152676 where: bonds (distance) C4'-P energy: -174.461 bonds (distance) P-C4' energy: -159.309 flat angles C4'-P-C4' energy: -185.994 flat angles P-C4'-P energy: -124.174 tors. eta vs tors. theta energy: -248.214 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: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -2798.248760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.248760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.248760 (E_RNA) where: Base-Base interactions energy: -1955.608 where: short stacking energy: -811.904 Base-Backbone interact. energy: -4.621 local terms energy: -838.020176 where: bonds (distance) C4'-P energy: -155.741 bonds (distance) P-C4' energy: -155.514 flat angles C4'-P-C4' energy: -177.668 flat angles P-C4'-P energy: -121.840 tors. eta vs tors. theta energy: -227.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2612.996672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.996672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.996672 (E_RNA) where: Base-Base interactions energy: -1819.907 where: short stacking energy: -790.170 Base-Backbone interact. energy: -1.345 local terms energy: -791.744356 where: bonds (distance) C4'-P energy: -142.954 bonds (distance) P-C4' energy: -139.668 flat angles C4'-P-C4' energy: -175.376 flat angles P-C4'-P energy: -110.686 tors. eta vs tors. theta energy: -223.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2479.040441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.040441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.040441 (E_RNA) where: Base-Base interactions energy: -1746.820 where: short stacking energy: -764.619 Base-Backbone interact. energy: 0.466 local terms energy: -732.687041 where: bonds (distance) C4'-P energy: -123.434 bonds (distance) P-C4' energy: -139.399 flat angles C4'-P-C4' energy: -170.476 flat angles P-C4'-P energy: -99.572 tors. eta vs tors. theta energy: -199.806 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: 7 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2368.078137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.078137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.078137 (E_RNA) where: Base-Base interactions energy: -1632.874 where: short stacking energy: -676.206 Base-Backbone interact. energy: -5.390 local terms energy: -729.814579 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -144.806 flat angles C4'-P-C4' energy: -153.074 flat angles P-C4'-P energy: -91.447 tors. eta vs tors. theta energy: -193.220 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: 8 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2040.635611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.635611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.635611 (E_RNA) where: Base-Base interactions energy: -1360.684 where: short stacking energy: -575.153 Base-Backbone interact. energy: -1.167 local terms energy: -678.784924 where: bonds (distance) C4'-P energy: -125.500 bonds (distance) P-C4' energy: -151.532 flat angles C4'-P-C4' energy: -150.640 flat angles P-C4'-P energy: -106.611 tors. eta vs tors. theta energy: -144.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1872.982598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.982598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.982598 (E_RNA) where: Base-Base interactions energy: -1195.041 where: short stacking energy: -527.618 Base-Backbone interact. energy: -2.339 local terms energy: -675.602871 where: bonds (distance) C4'-P energy: -144.440 bonds (distance) P-C4' energy: -142.891 flat angles C4'-P-C4' energy: -161.905 flat angles P-C4'-P energy: -114.876 tors. eta vs tors. theta energy: -111.490 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: 9, replica: 9 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1653.885849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.885849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.885849 (E_RNA) where: Base-Base interactions energy: -1066.664 where: short stacking energy: -468.660 Base-Backbone interact. energy: -2.624 local terms energy: -584.597484 where: bonds (distance) C4'-P energy: -118.757 bonds (distance) P-C4' energy: -144.835 flat angles C4'-P-C4' energy: -146.083 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -74.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1143.164718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.164718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.164718 (E_RNA) where: Base-Base interactions energy: -687.228 where: short stacking energy: -337.033 Base-Backbone interact. energy: 9.165 local terms energy: -465.101921 where: bonds (distance) C4'-P energy: -117.462 bonds (distance) P-C4' energy: -126.205 flat angles C4'-P-C4' energy: -105.284 flat angles P-C4'-P energy: -83.845 tors. eta vs tors. theta energy: -32.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -3087.922610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.922610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.922610 (E_RNA) where: Base-Base interactions energy: -2183.310 where: short stacking energy: -867.348 Base-Backbone interact. energy: -2.356 local terms energy: -902.257127 where: bonds (distance) C4'-P energy: -178.977 bonds (distance) P-C4' energy: -160.287 flat angles C4'-P-C4' energy: -190.360 flat angles P-C4'-P energy: -124.319 tors. eta vs tors. theta energy: -248.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -2933.216231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.216231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.216231 (E_RNA) where: Base-Base interactions energy: -2021.479 where: short stacking energy: -908.225 Base-Backbone interact. energy: -0.637 local terms energy: -911.099991 where: bonds (distance) C4'-P energy: -155.717 bonds (distance) P-C4' energy: -169.697 flat angles C4'-P-C4' energy: -195.748 flat angles P-C4'-P energy: -126.700 tors. eta vs tors. theta energy: -263.237 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: 3, replica: 1 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -2847.446096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.446096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.446096 (E_RNA) where: Base-Base interactions energy: -2002.509 where: short stacking energy: -848.563 Base-Backbone interact. energy: 3.482 local terms energy: -848.419496 where: bonds (distance) C4'-P energy: -142.251 bonds (distance) P-C4' energy: -164.307 flat angles C4'-P-C4' energy: -181.624 flat angles P-C4'-P energy: -124.285 tors. eta vs tors. theta energy: -235.954 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: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -2626.672880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.672880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.672880 (E_RNA) where: Base-Base interactions energy: -1801.992 where: short stacking energy: -766.977 Base-Backbone interact. energy: -2.238 local terms energy: -822.442944 where: bonds (distance) C4'-P energy: -150.934 bonds (distance) P-C4' energy: -160.917 flat angles C4'-P-C4' energy: -179.163 flat angles P-C4'-P energy: -111.283 tors. eta vs tors. theta energy: -220.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -2494.208156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.208156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.208156 (E_RNA) where: Base-Base interactions energy: -1731.273 where: short stacking energy: -744.684 Base-Backbone interact. energy: -3.146 local terms energy: -759.789612 where: bonds (distance) C4'-P energy: -146.993 bonds (distance) P-C4' energy: -130.089 flat angles C4'-P-C4' energy: -178.806 flat angles P-C4'-P energy: -105.229 tors. eta vs tors. theta energy: -198.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -2329.363615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.363615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.363615 (E_RNA) where: Base-Base interactions energy: -1630.501 where: short stacking energy: -702.610 Base-Backbone interact. energy: -2.203 local terms energy: -696.659567 where: bonds (distance) C4'-P energy: -124.790 bonds (distance) P-C4' energy: -153.111 flat angles C4'-P-C4' energy: -151.380 flat angles P-C4'-P energy: -93.449 tors. eta vs tors. theta energy: -173.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -2084.702799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.702799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.702799 (E_RNA) where: Base-Base interactions energy: -1407.792 where: short stacking energy: -587.825 Base-Backbone interact. energy: -4.577 local terms energy: -672.333416 where: bonds (distance) C4'-P energy: -134.253 bonds (distance) P-C4' energy: -136.987 flat angles C4'-P-C4' energy: -151.683 flat angles P-C4'-P energy: -103.569 tors. eta vs tors. theta energy: -145.842 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: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1846.682264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.682264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.682264 (E_RNA) where: Base-Base interactions energy: -1249.278 where: short stacking energy: -527.051 Base-Backbone interact. energy: -0.750 local terms energy: -596.654467 where: bonds (distance) C4'-P energy: -122.567 bonds (distance) P-C4' energy: -138.910 flat angles C4'-P-C4' energy: -147.008 flat angles P-C4'-P energy: -85.458 tors. eta vs tors. theta energy: -102.711 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: 9 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -1612.997921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.997921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.997921 (E_RNA) where: Base-Base interactions energy: -1073.697 where: short stacking energy: -505.437 Base-Backbone interact. energy: -0.846 local terms energy: -538.454937 where: bonds (distance) C4'-P energy: -112.858 bonds (distance) P-C4' energy: -129.816 flat angles C4'-P-C4' energy: -135.073 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -89.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -1147.273305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.273305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.273305 (E_RNA) where: Base-Base interactions energy: -636.310 where: short stacking energy: -310.642 Base-Backbone interact. energy: -2.872 local terms energy: -508.090776 where: bonds (distance) C4'-P energy: -140.821 bonds (distance) P-C4' energy: -138.704 flat angles C4'-P-C4' energy: -133.304 flat angles P-C4'-P energy: -80.974 tors. eta vs tors. theta energy: -14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -3128.478044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.478044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.478044 (E_RNA) where: Base-Base interactions energy: -2208.882 where: short stacking energy: -917.260 Base-Backbone interact. energy: -3.635 local terms energy: -915.960815 where: bonds (distance) C4'-P energy: -167.558 bonds (distance) P-C4' energy: -166.444 flat angles C4'-P-C4' energy: -194.735 flat angles P-C4'-P energy: -130.894 tors. eta vs tors. theta energy: -256.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -2917.324034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.324034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.324034 (E_RNA) where: Base-Base interactions energy: -2052.579 where: short stacking energy: -913.068 Base-Backbone interact. energy: -0.149 local terms energy: -864.595247 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -152.141 flat angles C4'-P-C4' energy: -204.195 flat angles P-C4'-P energy: -122.263 tors. eta vs tors. theta energy: -253.928 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: 1 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -2852.461566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.461566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.461566 (E_RNA) where: Base-Base interactions energy: -2019.803 where: short stacking energy: -847.760 Base-Backbone interact. energy: -1.425 local terms energy: -831.232746 where: bonds (distance) C4'-P energy: -156.707 bonds (distance) P-C4' energy: -157.716 flat angles C4'-P-C4' energy: -166.582 flat angles P-C4'-P energy: -106.158 tors. eta vs tors. theta energy: -244.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -2624.617519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.617519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.617519 (E_RNA) where: Base-Base interactions energy: -1806.562 where: short stacking energy: -781.962 Base-Backbone interact. energy: -2.983 local terms energy: -815.071711 where: bonds (distance) C4'-P energy: -151.779 bonds (distance) P-C4' energy: -146.584 flat angles C4'-P-C4' energy: -176.850 flat angles P-C4'-P energy: -115.044 tors. eta vs tors. theta energy: -224.815 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: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -2514.812386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.812386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.812386 (E_RNA) where: Base-Base interactions energy: -1736.803 where: short stacking energy: -755.929 Base-Backbone interact. energy: -2.723 local terms energy: -775.286546 where: bonds (distance) C4'-P energy: -136.282 bonds (distance) P-C4' energy: -149.826 flat angles C4'-P-C4' energy: -161.076 flat angles P-C4'-P energy: -107.090 tors. eta vs tors. theta energy: -221.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -2283.686884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.686884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.686884 (E_RNA) where: Base-Base interactions energy: -1593.833 where: short stacking energy: -645.356 Base-Backbone interact. energy: 6.767 local terms energy: -696.620381 where: bonds (distance) C4'-P energy: -151.003 bonds (distance) P-C4' energy: -135.884 flat angles C4'-P-C4' energy: -151.113 flat angles P-C4'-P energy: -88.115 tors. eta vs tors. theta energy: -170.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -2102.295249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.295249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.295249 (E_RNA) where: Base-Base interactions energy: -1407.095 where: short stacking energy: -599.165 Base-Backbone interact. energy: -1.892 local terms energy: -693.307645 where: bonds (distance) C4'-P energy: -151.151 bonds (distance) P-C4' energy: -131.286 flat angles C4'-P-C4' energy: -160.258 flat angles P-C4'-P energy: -89.038 tors. eta vs tors. theta energy: -161.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1819.921106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.921106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.921106 (E_RNA) where: Base-Base interactions energy: -1206.674 where: short stacking energy: -540.373 Base-Backbone interact. energy: -2.090 local terms energy: -611.157694 where: bonds (distance) C4'-P energy: -121.356 bonds (distance) P-C4' energy: -150.628 flat angles C4'-P-C4' energy: -148.616 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -107.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -1534.879593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.879593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.879593 (E_RNA) where: Base-Base interactions energy: -988.221 where: short stacking energy: -438.863 Base-Backbone interact. energy: -1.454 local terms energy: -545.204084 where: bonds (distance) C4'-P energy: -128.605 bonds (distance) P-C4' energy: -121.750 flat angles C4'-P-C4' energy: -127.101 flat angles P-C4'-P energy: -81.773 tors. eta vs tors. theta energy: -85.975 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: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -1176.329959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.329959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.329959 (E_RNA) where: Base-Base interactions energy: -638.832 where: short stacking energy: -313.074 Base-Backbone interact. energy: -0.187 local terms energy: -537.310374 where: bonds (distance) C4'-P energy: -134.457 bonds (distance) P-C4' energy: -144.146 flat angles C4'-P-C4' energy: -140.265 flat angles P-C4'-P energy: -91.075 tors. eta vs tors. theta energy: -27.368 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) replica 10 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 169860291 moves confirmed later: 194607103 all moves confirmed: 364467394 percent of confirmed moves: 45.558424 current total energy: -3004.015444 recalc. total energy: -3004.015444 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 188939233 moves confirmed later: 219305680 all moves confirmed: 408244913 percent of confirmed moves: 51.030614 current total energy: -2803.214689 recalc. total energy: -2803.214689 replica 1 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 138423750 moves confirmed later: 152348183 all moves confirmed: 290771933 percent of confirmed moves: 36.346492 current total energy: -2768.556499 recalc. total energy: -2768.556499 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 148404312 moves confirmed later: 165012705 all moves confirmed: 313417017 percent of confirmed moves: 39.177127 current total energy: -2363.356415 recalc. total energy: -2363.356415 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 162222113 moves confirmed later: 183545802 all moves confirmed: 345767915 percent of confirmed moves: 43.220989 current total energy: -2367.118751 recalc. total energy: -2367.118751 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 162529856 moves confirmed later: 183307961 all moves confirmed: 345837817 percent of confirmed moves: 43.229727 current total energy: -2085.757190 recalc. total energy: -2085.757190 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 250222199 moves confirmed later: 299406494 all moves confirmed: 549628693 percent of confirmed moves: 68.703587 current total energy: -1843.633337 recalc. total energy: -1843.633337 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 218999780 moves confirmed later: 257631215 all moves confirmed: 476630995 percent of confirmed moves: 59.578874 current total energy: -1651.691454 recalc. total energy: -1651.691454 replica 9 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 186003042 moves confirmed later: 214536181 all moves confirmed: 400539223 percent of confirmed moves: 50.067403 current total energy: -1366.714284 recalc. total energy: -1366.714284 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 222477323 moves confirmed later: 262511485 all moves confirmed: 484988808 percent of confirmed moves: 60.623601 current total energy: -973.130794 recalc. total energy: -973.130794 out arg RESULTS//1/Human-8cb31200_01 Time of doing 8000000 iterations: 60538.281 seconds