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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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/MCL-1-5325cb29/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MCL-1-5325cb29/inputs/seq.fa: 1 curr_seq: _UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UACAAACCGGAGUUUUCUUUGCGCCAUUAGCCUGAGUUGGAGAUGACACCCCCCCGGCCGAACCCCCGGCCGUCGCCGCCGCGGUGGGCGGGCCCUCCCGCUGAAAACCGAUGCCUCUUCCUCCGGAGCCGGGCCGCUCUCUAUCCCCCUCCCCUCCGGCCGCGCCACUAACCGCCUUCGCGGCCGCGUUCGGGGGGCAGGUGGGAGUGCGGUCUGAGGGCCUCCCAGCGCGCCGGCGGCGGGUAACCGCGGCUCCAGGGGCUGCAGUGGCGCUGGGGGCGCUCCGACGAAAAGAAGCGC 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 300 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: 1505 n_atoms_counter: 1505 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 300.000000 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: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 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: 1 Temperature: 1.050000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1226.482832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.482832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.482832 (E_RNA) where: Base-Base interactions energy: -59.033 where: short stacking energy: -59.033 Base-Backbone interact. energy: -0.000 local terms energy: -1167.449273 where: bonds (distance) C4'-P energy: -291.473 bonds (distance) P-C4' energy: -269.290 flat angles C4'-P-C4' energy: -220.267 flat angles P-C4'-P energy: -251.962 tors. eta vs tors. theta energy: -134.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1477.677965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.677965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.677965 (E_RNA) where: Base-Base interactions energy: -619.415 where: short stacking energy: -619.030 Base-Backbone interact. energy: -0.027 local terms energy: -858.235735 where: bonds (distance) C4'-P energy: -198.830 bonds (distance) P-C4' energy: -185.982 flat angles C4'-P-C4' energy: -208.585 flat angles P-C4'-P energy: -104.856 tors. eta vs tors. theta energy: -159.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1440.492563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.492563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.492563 (E_RNA) where: Base-Base interactions energy: -608.514 where: short stacking energy: -607.809 Base-Backbone interact. energy: -0.075 local terms energy: -831.903731 where: bonds (distance) C4'-P energy: -194.256 bonds (distance) P-C4' energy: -192.380 flat angles C4'-P-C4' energy: -183.213 flat angles P-C4'-P energy: -111.864 tors. eta vs tors. theta energy: -150.190 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: 2 Temperature: 1.000000 Total energy: -1383.177515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.177515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.177515 (E_RNA) where: Base-Base interactions energy: -578.849 where: short stacking energy: -571.288 Base-Backbone interact. energy: -0.212 local terms energy: -804.116176 where: bonds (distance) C4'-P energy: -185.578 bonds (distance) P-C4' energy: -189.677 flat angles C4'-P-C4' energy: -176.128 flat angles P-C4'-P energy: -116.201 tors. eta vs tors. theta energy: -136.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1295.204250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.204250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.204250 (E_RNA) where: Base-Base interactions energy: -543.419 where: short stacking energy: -538.274 Base-Backbone interact. energy: -0.538 local terms energy: -751.247703 where: bonds (distance) C4'-P energy: -167.846 bonds (distance) P-C4' energy: -181.548 flat angles C4'-P-C4' energy: -176.946 flat angles P-C4'-P energy: -100.961 tors. eta vs tors. theta energy: -123.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1235.978568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.978568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.978568 (E_RNA) where: Base-Base interactions energy: -86.797 where: short stacking energy: -86.797 Base-Backbone interact. energy: -0.000 local terms energy: -1149.181012 where: bonds (distance) C4'-P energy: -282.278 bonds (distance) P-C4' energy: -259.439 flat angles C4'-P-C4' energy: -220.717 flat angles P-C4'-P energy: -249.971 tors. eta vs tors. theta energy: -136.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1253.628559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.628559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.628559 (E_RNA) where: Base-Base interactions energy: -135.062 where: short stacking energy: -135.062 Base-Backbone interact. energy: -0.000 local terms energy: -1118.566444 where: bonds (distance) C4'-P energy: -267.091 bonds (distance) P-C4' energy: -243.604 flat angles C4'-P-C4' energy: -218.838 flat angles P-C4'-P energy: -244.392 tors. eta vs tors. theta energy: -144.642 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1250.278175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.278175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.278175 (E_RNA) where: Base-Base interactions energy: -193.262 where: short stacking energy: -193.262 Base-Backbone interact. energy: -0.000 local terms energy: -1057.015531 where: bonds (distance) C4'-P energy: -234.707 bonds (distance) P-C4' energy: -220.172 flat angles C4'-P-C4' energy: -219.235 flat angles P-C4'-P energy: -234.283 tors. eta vs tors. theta energy: -148.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1241.257413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.257413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.257413 (E_RNA) where: Base-Base interactions energy: -109.206 where: short stacking energy: -109.206 Base-Backbone interact. energy: -0.000 local terms energy: -1132.051336 where: bonds (distance) C4'-P energy: -274.450 bonds (distance) P-C4' energy: -251.039 flat angles C4'-P-C4' energy: -218.833 flat angles P-C4'-P energy: -246.883 tors. eta vs tors. theta energy: -140.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1234.062081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.062081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.062081 (E_RNA) where: Base-Base interactions energy: -81.022 where: short stacking energy: -81.022 Base-Backbone interact. energy: -0.000 local terms energy: -1153.039689 where: bonds (distance) C4'-P energy: -286.477 bonds (distance) P-C4' energy: -262.582 flat angles C4'-P-C4' energy: -218.362 flat angles P-C4'-P energy: -249.008 tors. eta vs tors. theta energy: -136.610 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1244.396815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.396815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.396815 (E_RNA) where: Base-Base interactions energy: -159.328 where: short stacking energy: -159.328 Base-Backbone interact. energy: -0.000 local terms energy: -1085.068596 where: bonds (distance) C4'-P energy: -257.646 bonds (distance) P-C4' energy: -218.498 flat angles C4'-P-C4' energy: -221.031 flat angles P-C4'-P energy: -239.806 tors. eta vs tors. theta energy: -148.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1554.047845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.047845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.047845 (E_RNA) where: Base-Base interactions energy: -715.612 where: short stacking energy: -715.612 Base-Backbone interact. energy: 0.127 local terms energy: -838.562333 where: bonds (distance) C4'-P energy: -188.009 bonds (distance) P-C4' energy: -176.625 flat angles C4'-P-C4' energy: -195.450 flat angles P-C4'-P energy: -124.284 tors. eta vs tors. theta energy: -154.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1434.838601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.838601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.838601 (E_RNA) where: Base-Base interactions energy: -626.523 where: short stacking energy: -622.352 Base-Backbone interact. energy: -0.422 local terms energy: -807.893723 where: bonds (distance) C4'-P energy: -175.402 bonds (distance) P-C4' energy: -196.406 flat angles C4'-P-C4' energy: -192.940 flat angles P-C4'-P energy: -103.071 tors. eta vs tors. theta energy: -140.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1391.614113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.614113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.614113 (E_RNA) where: Base-Base interactions energy: -626.695 where: short stacking energy: -619.654 Base-Backbone interact. energy: 0.101 local terms energy: -765.020225 where: bonds (distance) C4'-P energy: -160.652 bonds (distance) P-C4' energy: -180.969 flat angles C4'-P-C4' energy: -192.307 flat angles P-C4'-P energy: -112.177 tors. eta vs tors. theta energy: -118.915 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: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1285.223782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.223782 (E_RNA) where: Base-Base interactions energy: -525.556 where: short stacking energy: -520.171 Base-Backbone interact. energy: -0.339 local terms energy: -759.328906 where: bonds (distance) C4'-P energy: -186.356 bonds (distance) P-C4' energy: -170.683 flat angles C4'-P-C4' energy: -177.288 flat angles P-C4'-P energy: -103.729 tors. eta vs tors. theta energy: -121.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1163.868216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.868216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.868216 (E_RNA) where: Base-Base interactions energy: -485.797 where: short stacking energy: -471.577 Base-Backbone interact. energy: 0.735 local terms energy: -678.806334 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -169.593 flat angles C4'-P-C4' energy: -177.079 flat angles P-C4'-P energy: -89.784 tors. eta vs tors. theta energy: -85.825 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: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1072.721016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.721016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.721016 (E_RNA) where: Base-Base interactions energy: -449.526 where: short stacking energy: -440.237 Base-Backbone interact. energy: 1.956 local terms energy: -625.151310 where: bonds (distance) C4'-P energy: -161.256 bonds (distance) P-C4' energy: -161.299 flat angles C4'-P-C4' energy: -147.582 flat angles P-C4'-P energy: -80.597 tors. eta vs tors. theta energy: -74.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -997.822426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.822426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.822426 (E_RNA) where: Base-Base interactions energy: -413.786 where: short stacking energy: -398.343 Base-Backbone interact. energy: -0.672 local terms energy: -583.364329 where: bonds (distance) C4'-P energy: -121.509 bonds (distance) P-C4' energy: -169.454 flat angles C4'-P-C4' energy: -150.648 flat angles P-C4'-P energy: -83.716 tors. eta vs tors. theta energy: -58.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -870.065269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.065269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.065269 (E_RNA) where: Base-Base interactions energy: -308.201 where: short stacking energy: -293.357 Base-Backbone interact. energy: -1.634 local terms energy: -560.229579 where: bonds (distance) C4'-P energy: -172.527 bonds (distance) P-C4' energy: -157.094 flat angles C4'-P-C4' energy: -134.826 flat angles P-C4'-P energy: -80.712 tors. eta vs tors. theta energy: -15.072 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -838.723178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.723178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.723178 (E_RNA) where: Base-Base interactions energy: -311.624 where: short stacking energy: -295.610 Base-Backbone interact. energy: 4.639 local terms energy: -531.738055 where: bonds (distance) C4'-P energy: -158.890 bonds (distance) P-C4' energy: -165.293 flat angles C4'-P-C4' energy: -130.135 flat angles P-C4'-P energy: -71.270 tors. eta vs tors. theta energy: -6.150 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -772.722126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.722126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.722126 (E_RNA) where: Base-Base interactions energy: -280.427 where: short stacking energy: -270.118 Base-Backbone interact. energy: -0.392 local terms energy: -491.903656 where: bonds (distance) C4'-P energy: -156.669 bonds (distance) P-C4' energy: -146.198 flat angles C4'-P-C4' energy: -103.086 flat angles P-C4'-P energy: -76.764 tors. eta vs tors. theta energy: -9.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1595.799301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.799301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.799301 (E_RNA) where: Base-Base interactions energy: -714.824 where: short stacking energy: -701.998 Base-Backbone interact. energy: -0.702 local terms energy: -880.272926 where: bonds (distance) C4'-P energy: -184.751 bonds (distance) P-C4' energy: -198.902 flat angles C4'-P-C4' energy: -202.211 flat angles P-C4'-P energy: -119.162 tors. eta vs tors. theta energy: -175.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1488.813970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.813970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.813970 (E_RNA) where: Base-Base interactions energy: -667.996 where: short stacking energy: -644.669 Base-Backbone interact. energy: -0.159 local terms energy: -820.659054 where: bonds (distance) C4'-P energy: -171.837 bonds (distance) P-C4' energy: -185.688 flat angles C4'-P-C4' energy: -183.545 flat angles P-C4'-P energy: -128.926 tors. eta vs tors. theta energy: -150.664 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1408.883132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.883132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.883132 (E_RNA) where: Base-Base interactions energy: -608.589 where: short stacking energy: -591.908 Base-Backbone interact. energy: -0.461 local terms energy: -799.832476 where: bonds (distance) C4'-P energy: -184.626 bonds (distance) P-C4' energy: -182.809 flat angles C4'-P-C4' energy: -186.666 flat angles P-C4'-P energy: -98.337 tors. eta vs tors. theta energy: -147.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1271.222935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.222935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.222935 (E_RNA) where: Base-Base interactions energy: -561.116 where: short stacking energy: -536.668 Base-Backbone interact. energy: -1.221 local terms energy: -708.886415 where: bonds (distance) C4'-P energy: -140.705 bonds (distance) P-C4' energy: -180.794 flat angles C4'-P-C4' energy: -164.069 flat angles P-C4'-P energy: -126.964 tors. eta vs tors. theta energy: -96.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1159.906492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.906492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.906492 (E_RNA) where: Base-Base interactions energy: -499.978 where: short stacking energy: -476.806 Base-Backbone interact. energy: 4.353 local terms energy: -664.280624 where: bonds (distance) C4'-P energy: -167.846 bonds (distance) P-C4' energy: -170.290 flat angles C4'-P-C4' energy: -160.847 flat angles P-C4'-P energy: -96.399 tors. eta vs tors. theta energy: -68.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -1066.979906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.979906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.979906 (E_RNA) where: Base-Base interactions energy: -430.061 where: short stacking energy: -419.003 Base-Backbone interact. energy: -0.051 local terms energy: -636.867543 where: bonds (distance) C4'-P energy: -165.369 bonds (distance) P-C4' energy: -176.613 flat angles C4'-P-C4' energy: -135.052 flat angles P-C4'-P energy: -90.503 tors. eta vs tors. theta energy: -69.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -943.379169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.379169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.379169 (E_RNA) where: Base-Base interactions energy: -363.464 where: short stacking energy: -350.944 Base-Backbone interact. energy: 1.870 local terms energy: -581.785340 where: bonds (distance) C4'-P energy: -176.704 bonds (distance) P-C4' energy: -148.658 flat angles C4'-P-C4' energy: -154.460 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -25.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -907.518292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.518292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.518292 (E_RNA) where: Base-Base interactions energy: -348.291 where: short stacking energy: -308.263 Base-Backbone interact. energy: 0.862 local terms energy: -560.089126 where: bonds (distance) C4'-P energy: -146.938 bonds (distance) P-C4' energy: -155.704 flat angles C4'-P-C4' energy: -145.816 flat angles P-C4'-P energy: -92.831 tors. eta vs tors. theta energy: -18.799 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -866.181104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.181104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.181104 (E_RNA) where: Base-Base interactions energy: -344.688 where: short stacking energy: -313.557 Base-Backbone interact. energy: 5.124 local terms energy: -526.617661 where: bonds (distance) C4'-P energy: -148.257 bonds (distance) P-C4' energy: -162.331 flat angles C4'-P-C4' energy: -136.205 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -20.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -740.078248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.078248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.078248 (E_RNA) where: Base-Base interactions energy: -231.073 where: short stacking energy: -197.618 Base-Backbone interact. energy: 4.516 local terms energy: -513.520708 where: bonds (distance) C4'-P energy: -173.540 bonds (distance) P-C4' energy: -154.966 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -95.264 tors. eta vs tors. theta energy: 27.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1665.284766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.284766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.284766 (E_RNA) where: Base-Base interactions energy: -788.419 where: short stacking energy: -779.274 Base-Backbone interact. energy: -0.411 local terms energy: -876.453974 where: bonds (distance) C4'-P energy: -166.006 bonds (distance) P-C4' energy: -205.083 flat angles C4'-P-C4' energy: -187.627 flat angles P-C4'-P energy: -123.314 tors. eta vs tors. theta energy: -194.422 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: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1537.173803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.173803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.173803 (E_RNA) where: Base-Base interactions energy: -709.867 where: short stacking energy: -691.336 Base-Backbone interact. energy: 1.201 local terms energy: -828.507829 where: bonds (distance) C4'-P energy: -180.263 bonds (distance) P-C4' energy: -182.157 flat angles C4'-P-C4' energy: -197.881 flat angles P-C4'-P energy: -100.240 tors. eta vs tors. theta energy: -167.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1392.142517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.142517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.142517 (E_RNA) where: Base-Base interactions energy: -601.570 where: short stacking energy: -559.781 Base-Backbone interact. energy: -2.657 local terms energy: -787.915051 where: bonds (distance) C4'-P energy: -179.550 bonds (distance) P-C4' energy: -181.392 flat angles C4'-P-C4' energy: -191.629 flat angles P-C4'-P energy: -122.352 tors. eta vs tors. theta energy: -112.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1370.998281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.998281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.998281 (E_RNA) where: Base-Base interactions energy: -648.960 where: short stacking energy: -572.934 Base-Backbone interact. energy: -0.860 local terms energy: -721.178100 where: bonds (distance) C4'-P energy: -154.294 bonds (distance) P-C4' energy: -170.990 flat angles C4'-P-C4' energy: -182.634 flat angles P-C4'-P energy: -103.361 tors. eta vs tors. theta energy: -109.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1229.484974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.484974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.484974 (E_RNA) where: Base-Base interactions energy: -543.964 where: short stacking energy: -511.671 Base-Backbone interact. energy: -2.136 local terms energy: -683.384809 where: bonds (distance) C4'-P energy: -171.761 bonds (distance) P-C4' energy: -169.026 flat angles C4'-P-C4' energy: -143.134 flat angles P-C4'-P energy: -100.943 tors. eta vs tors. theta energy: -98.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -1115.778267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.778267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.778267 (E_RNA) where: Base-Base interactions energy: -500.256 where: short stacking energy: -422.113 Base-Backbone interact. energy: 4.130 local terms energy: -619.652424 where: bonds (distance) C4'-P energy: -153.880 bonds (distance) P-C4' energy: -170.476 flat angles C4'-P-C4' energy: -151.245 flat angles P-C4'-P energy: -84.454 tors. eta vs tors. theta energy: -59.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -966.349577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.349577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.349577 (E_RNA) where: Base-Base interactions energy: -396.612 where: short stacking energy: -353.352 Base-Backbone interact. energy: 1.583 local terms energy: -571.320693 where: bonds (distance) C4'-P energy: -150.334 bonds (distance) P-C4' energy: -160.404 flat angles C4'-P-C4' energy: -157.318 flat angles P-C4'-P energy: -83.072 tors. eta vs tors. theta energy: -20.193 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: 7 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -914.443197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.443197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.443197 (E_RNA) where: Base-Base interactions energy: -397.945 where: short stacking energy: -324.302 Base-Backbone interact. energy: 4.686 local terms energy: -521.183780 where: bonds (distance) C4'-P energy: -149.346 bonds (distance) P-C4' energy: -150.821 flat angles C4'-P-C4' energy: -135.306 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -19.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -800.157264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.157264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.157264 (E_RNA) where: Base-Base interactions energy: -264.250 where: short stacking energy: -236.086 Base-Backbone interact. energy: -1.289 local terms energy: -534.618340 where: bonds (distance) C4'-P energy: -170.541 bonds (distance) P-C4' energy: -159.835 flat angles C4'-P-C4' energy: -117.326 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: 10.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -786.334600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.334600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.334600 (E_RNA) where: Base-Base interactions energy: -345.441 where: short stacking energy: -212.360 Base-Backbone interact. energy: 2.036 local terms energy: -442.929437 where: bonds (distance) C4'-P energy: -152.486 bonds (distance) P-C4' energy: -143.858 flat angles C4'-P-C4' energy: -96.381 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: 21.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1697.301085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.301085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.301085 (E_RNA) where: Base-Base interactions energy: -818.303 where: short stacking energy: -772.107 Base-Backbone interact. energy: -0.634 local terms energy: -878.364181 where: bonds (distance) C4'-P energy: -185.558 bonds (distance) P-C4' energy: -184.022 flat angles C4'-P-C4' energy: -197.846 flat angles P-C4'-P energy: -122.121 tors. eta vs tors. theta energy: -188.818 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: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1566.736255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.736255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.736255 (E_RNA) where: Base-Base interactions energy: -720.354 where: short stacking energy: -673.901 Base-Backbone interact. energy: 0.193 local terms energy: -846.574718 where: bonds (distance) C4'-P energy: -200.463 bonds (distance) P-C4' energy: -167.029 flat angles C4'-P-C4' energy: -184.112 flat angles P-C4'-P energy: -117.678 tors. eta vs tors. theta energy: -177.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1426.771964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.771964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.771964 (E_RNA) where: Base-Base interactions energy: -690.452 where: short stacking energy: -569.071 Base-Backbone interact. energy: 3.659 local terms energy: -739.978562 where: bonds (distance) C4'-P energy: -168.344 bonds (distance) P-C4' energy: -174.613 flat angles C4'-P-C4' energy: -191.161 flat angles P-C4'-P energy: -90.083 tors. eta vs tors. theta energy: -115.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1385.775177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.775177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.775177 (E_RNA) where: Base-Base interactions energy: -649.631 where: short stacking energy: -575.240 Base-Backbone interact. energy: -4.258 local terms energy: -731.885408 where: bonds (distance) C4'-P energy: -155.271 bonds (distance) P-C4' energy: -173.791 flat angles C4'-P-C4' energy: -187.144 flat angles P-C4'-P energy: -100.952 tors. eta vs tors. theta energy: -114.727 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -1294.395564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.395564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.395564 (E_RNA) where: Base-Base interactions energy: -620.738 where: short stacking energy: -535.519 Base-Backbone interact. energy: 5.863 local terms energy: -679.520881 where: bonds (distance) C4'-P energy: -164.804 bonds (distance) P-C4' energy: -159.837 flat angles C4'-P-C4' energy: -153.052 flat angles P-C4'-P energy: -100.890 tors. eta vs tors. theta energy: -100.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1100.762633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.762633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.762633 (E_RNA) where: Base-Base interactions energy: -447.987 where: short stacking energy: -405.769 Base-Backbone interact. energy: 3.239 local terms energy: -656.014406 where: bonds (distance) C4'-P energy: -168.853 bonds (distance) P-C4' energy: -179.729 flat angles C4'-P-C4' energy: -164.496 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -61.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -974.892526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.892526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.892526 (E_RNA) where: Base-Base interactions energy: -397.389 where: short stacking energy: -364.530 Base-Backbone interact. energy: 2.538 local terms energy: -580.041176 where: bonds (distance) C4'-P energy: -164.800 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -161.952 flat angles P-C4'-P energy: -90.948 tors. eta vs tors. theta energy: -16.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -903.887180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.887180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.887180 (E_RNA) where: Base-Base interactions energy: -373.653 where: short stacking energy: -294.240 Base-Backbone interact. energy: -3.857 local terms energy: -526.377063 where: bonds (distance) C4'-P energy: -125.903 bonds (distance) P-C4' energy: -163.923 flat angles C4'-P-C4' energy: -124.930 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -18.086 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -833.900114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.900114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.900114 (E_RNA) where: Base-Base interactions energy: -326.050 where: short stacking energy: -244.020 Base-Backbone interact. energy: -2.479 local terms energy: -505.370812 where: bonds (distance) C4'-P energy: -144.735 bonds (distance) P-C4' energy: -149.836 flat angles C4'-P-C4' energy: -150.501 flat angles P-C4'-P energy: -82.300 tors. eta vs tors. theta energy: 22.001 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: -763.734055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.734055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.734055 (E_RNA) where: Base-Base interactions energy: -302.849 where: short stacking energy: -250.675 Base-Backbone interact. energy: 9.949 local terms energy: -470.834207 where: bonds (distance) C4'-P energy: -147.351 bonds (distance) P-C4' energy: -147.604 flat angles C4'-P-C4' energy: -143.890 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: 18.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1689.597925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.597925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.597925 (E_RNA) where: Base-Base interactions energy: -810.992 where: short stacking energy: -746.853 Base-Backbone interact. energy: -0.155 local terms energy: -878.451429 where: bonds (distance) C4'-P energy: -177.824 bonds (distance) P-C4' energy: -184.905 flat angles C4'-P-C4' energy: -210.856 flat angles P-C4'-P energy: -120.245 tors. eta vs tors. theta energy: -184.620 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: 7 Temperature: 0.950000 Total energy: -1565.491992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.491992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.491992 (E_RNA) where: Base-Base interactions energy: -712.698 where: short stacking energy: -660.033 Base-Backbone interact. energy: 1.269 local terms energy: -854.063002 where: bonds (distance) C4'-P energy: -182.778 bonds (distance) P-C4' energy: -195.450 flat angles C4'-P-C4' energy: -188.166 flat angles P-C4'-P energy: -120.866 tors. eta vs tors. theta energy: -166.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1463.683831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.683831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.683831 (E_RNA) where: Base-Base interactions energy: -700.007 where: short stacking energy: -593.843 Base-Backbone interact. energy: -1.789 local terms energy: -761.888007 where: bonds (distance) C4'-P energy: -177.155 bonds (distance) P-C4' energy: -190.580 flat angles C4'-P-C4' energy: -178.214 flat angles P-C4'-P energy: -96.366 tors. eta vs tors. theta energy: -119.573 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1410.173372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.173372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.173372 (E_RNA) where: Base-Base interactions energy: -682.765 where: short stacking energy: -545.679 Base-Backbone interact. energy: 0.970 local terms energy: -728.378633 where: bonds (distance) C4'-P energy: -159.899 bonds (distance) P-C4' energy: -173.283 flat angles C4'-P-C4' energy: -181.050 flat angles P-C4'-P energy: -112.327 tors. eta vs tors. theta energy: -101.820 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: 6 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1266.322019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.322019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.322019 (E_RNA) where: Base-Base interactions energy: -569.396 where: short stacking energy: -448.364 Base-Backbone interact. energy: -0.328 local terms energy: -696.597866 where: bonds (distance) C4'-P energy: -185.413 bonds (distance) P-C4' energy: -168.576 flat angles C4'-P-C4' energy: -156.732 flat angles P-C4'-P energy: -112.741 tors. eta vs tors. theta energy: -73.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1108.501613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.501613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.501613 (E_RNA) where: Base-Base interactions energy: -499.111 where: short stacking energy: -406.226 Base-Backbone interact. energy: 3.918 local terms energy: -613.308587 where: bonds (distance) C4'-P energy: -176.643 bonds (distance) P-C4' energy: -151.748 flat angles C4'-P-C4' energy: -148.012 flat angles P-C4'-P energy: -88.810 tors. eta vs tors. theta energy: -48.096 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: 7 Temperature: 1.200000 Total energy: -1111.926328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.926328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.926328 (E_RNA) where: Base-Base interactions energy: -540.996 where: short stacking energy: -392.912 Base-Backbone interact. energy: -2.450 local terms energy: -568.479997 where: bonds (distance) C4'-P energy: -142.517 bonds (distance) P-C4' energy: -154.974 flat angles C4'-P-C4' energy: -140.518 flat angles P-C4'-P energy: -96.732 tors. eta vs tors. theta energy: -33.739 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: 7 Temperature: 1.250000 Total energy: -925.813587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.813587 (E_RNA) where: Base-Base interactions energy: -394.488 where: short stacking energy: -314.310 Base-Backbone interact. energy: 1.378 local terms energy: -532.704206 where: bonds (distance) C4'-P energy: -147.445 bonds (distance) P-C4' energy: -169.151 flat angles C4'-P-C4' energy: -131.614 flat angles P-C4'-P energy: -66.261 tors. eta vs tors. theta energy: -18.233 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: 8 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -979.482869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.482869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.482869 (E_RNA) where: Base-Base interactions energy: -461.012 where: short stacking energy: -273.477 Base-Backbone interact. energy: 2.686 local terms energy: -521.157134 where: bonds (distance) C4'-P energy: -139.754 bonds (distance) P-C4' energy: -169.241 flat angles C4'-P-C4' energy: -121.374 flat angles P-C4'-P energy: -93.534 tors. eta vs tors. theta energy: 2.746 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -800.649524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.649524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.649524 (E_RNA) where: Base-Base interactions energy: -316.846 where: short stacking energy: -251.371 Base-Backbone interact. energy: 1.381 local terms energy: -485.184761 where: bonds (distance) C4'-P energy: -147.126 bonds (distance) P-C4' energy: -132.005 flat angles C4'-P-C4' energy: -130.828 flat angles P-C4'-P energy: -79.313 tors. eta vs tors. theta energy: 4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1736.572506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.572506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.572506 (E_RNA) where: Base-Base interactions energy: -858.657 where: short stacking energy: -769.512 Base-Backbone interact. energy: 0.577 local terms energy: -878.492937 where: bonds (distance) C4'-P energy: -174.805 bonds (distance) P-C4' energy: -194.197 flat angles C4'-P-C4' energy: -205.102 flat angles P-C4'-P energy: -123.678 tors. eta vs tors. theta energy: -180.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1594.683222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.683222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.683222 (E_RNA) where: Base-Base interactions energy: -777.775 where: short stacking energy: -692.489 Base-Backbone interact. energy: -1.186 local terms energy: -815.721403 where: bonds (distance) C4'-P energy: -188.329 bonds (distance) P-C4' energy: -174.339 flat angles C4'-P-C4' energy: -191.250 flat angles P-C4'-P energy: -112.158 tors. eta vs tors. theta energy: -149.645 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: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1543.465692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.465692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.465692 (E_RNA) where: Base-Base interactions energy: -741.314 where: short stacking energy: -587.308 Base-Backbone interact. energy: -0.140 local terms energy: -802.011323 where: bonds (distance) C4'-P energy: -186.252 bonds (distance) P-C4' energy: -179.808 flat angles C4'-P-C4' energy: -186.980 flat angles P-C4'-P energy: -127.374 tors. eta vs tors. theta energy: -121.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -1524.386525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.386525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.386525 (E_RNA) where: Base-Base interactions energy: -800.879 where: short stacking energy: -552.378 Base-Backbone interact. energy: -2.766 local terms energy: -720.742274 where: bonds (distance) C4'-P energy: -161.411 bonds (distance) P-C4' energy: -174.822 flat angles C4'-P-C4' energy: -169.122 flat angles P-C4'-P energy: -94.113 tors. eta vs tors. theta energy: -121.274 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1364.723503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.723503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.723503 (E_RNA) where: Base-Base interactions energy: -686.442 where: short stacking energy: -491.852 Base-Backbone interact. energy: -0.941 local terms energy: -677.340482 where: bonds (distance) C4'-P energy: -172.082 bonds (distance) P-C4' energy: -174.889 flat angles C4'-P-C4' energy: -158.751 flat angles P-C4'-P energy: -85.643 tors. eta vs tors. theta energy: -85.976 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: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1257.336133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.336133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.336133 (E_RNA) where: Base-Base interactions energy: -613.581 where: short stacking energy: -481.806 Base-Backbone interact. energy: -3.598 local terms energy: -640.156993 where: bonds (distance) C4'-P energy: -167.183 bonds (distance) P-C4' energy: -143.601 flat angles C4'-P-C4' energy: -161.223 flat angles P-C4'-P energy: -95.394 tors. eta vs tors. theta energy: -72.756 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: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1191.301067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.301067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.301067 (E_RNA) where: Base-Base interactions energy: -579.217 where: short stacking energy: -369.069 Base-Backbone interact. energy: -1.005 local terms energy: -611.079331 where: bonds (distance) C4'-P energy: -145.033 bonds (distance) P-C4' energy: -158.530 flat angles C4'-P-C4' energy: -174.458 flat angles P-C4'-P energy: -89.350 tors. eta vs tors. theta energy: -43.708 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: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -869.927342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.927342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.927342 (E_RNA) where: Base-Base interactions energy: -339.315 where: short stacking energy: -245.317 Base-Backbone interact. energy: 3.176 local terms energy: -533.788442 where: bonds (distance) C4'-P energy: -162.093 bonds (distance) P-C4' energy: -164.143 flat angles C4'-P-C4' energy: -136.432 flat angles P-C4'-P energy: -86.544 tors. eta vs tors. theta energy: 15.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -1089.842690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.842690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.842690 (E_RNA) where: Base-Base interactions energy: -557.733 where: short stacking energy: -327.219 Base-Backbone interact. energy: 0.774 local terms energy: -532.884065 where: bonds (distance) C4'-P energy: -153.273 bonds (distance) P-C4' energy: -150.794 flat angles C4'-P-C4' energy: -133.383 flat angles P-C4'-P energy: -71.183 tors. eta vs tors. theta energy: -24.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -834.498912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.498912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.498912 (E_RNA) where: Base-Base interactions energy: -360.758 where: short stacking energy: -273.703 Base-Backbone interact. energy: -0.262 local terms energy: -473.478847 where: bonds (distance) C4'-P energy: -135.409 bonds (distance) P-C4' energy: -149.337 flat angles C4'-P-C4' energy: -125.853 flat angles P-C4'-P energy: -83.327 tors. eta vs tors. theta energy: 20.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1787.145495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.145495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.145495 (E_RNA) where: Base-Base interactions energy: -928.287 where: short stacking energy: -739.974 Base-Backbone interact. energy: 1.535 local terms energy: -860.392949 where: bonds (distance) C4'-P energy: -182.451 bonds (distance) P-C4' energy: -187.259 flat angles C4'-P-C4' energy: -201.926 flat angles P-C4'-P energy: -113.798 tors. eta vs tors. theta energy: -174.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1606.120789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.120789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.120789 (E_RNA) where: Base-Base interactions energy: -785.420 where: short stacking energy: -710.432 Base-Backbone interact. energy: -1.819 local terms energy: -818.882252 where: bonds (distance) C4'-P energy: -169.466 bonds (distance) P-C4' energy: -174.171 flat angles C4'-P-C4' energy: -187.847 flat angles P-C4'-P energy: -110.371 tors. eta vs tors. theta energy: -177.027 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: 3, replica: 3 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1681.449766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.449766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.449766 (E_RNA) where: Base-Base interactions energy: -882.165 where: short stacking energy: -670.999 Base-Backbone interact. energy: 1.461 local terms energy: -800.745257 where: bonds (distance) C4'-P energy: -159.590 bonds (distance) P-C4' energy: -186.375 flat angles C4'-P-C4' energy: -191.502 flat angles P-C4'-P energy: -122.102 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: 4, replica: 4 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1599.913156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.913156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.913156 (E_RNA) where: Base-Base interactions energy: -859.038 where: short stacking energy: -588.520 Base-Backbone interact. energy: -2.482 local terms energy: -738.393525 where: bonds (distance) C4'-P energy: -172.219 bonds (distance) P-C4' energy: -169.732 flat angles C4'-P-C4' energy: -160.817 flat angles P-C4'-P energy: -104.056 tors. eta vs tors. theta energy: -131.569 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: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -1470.460213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.460213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.460213 (E_RNA) where: Base-Base interactions energy: -811.958 where: short stacking energy: -533.877 Base-Backbone interact. energy: -0.528 local terms energy: -657.974124 where: bonds (distance) C4'-P energy: -146.381 bonds (distance) P-C4' energy: -157.556 flat angles C4'-P-C4' energy: -164.384 flat angles P-C4'-P energy: -96.320 tors. eta vs tors. theta energy: -93.334 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: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1370.614383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.614383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.614383 (E_RNA) where: Base-Base interactions energy: -767.157 where: short stacking energy: -424.087 Base-Backbone interact. energy: 1.315 local terms energy: -604.772002 where: bonds (distance) C4'-P energy: -162.590 bonds (distance) P-C4' energy: -160.186 flat angles C4'-P-C4' energy: -155.656 flat angles P-C4'-P energy: -95.103 tors. eta vs tors. theta energy: -31.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1204.088375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.088375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.088375 (E_RNA) where: Base-Base interactions energy: -576.906 where: short stacking energy: -390.915 Base-Backbone interact. energy: 4.860 local terms energy: -632.042242 where: bonds (distance) C4'-P energy: -167.608 bonds (distance) P-C4' energy: -177.306 flat angles C4'-P-C4' energy: -148.347 flat angles P-C4'-P energy: -84.920 tors. eta vs tors. theta energy: -53.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -1187.873385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.873385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.873385 (E_RNA) where: Base-Base interactions energy: -632.945 where: short stacking energy: -396.316 Base-Backbone interact. energy: -3.049 local terms energy: -551.879959 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -163.661 flat angles C4'-P-C4' energy: -107.500 flat angles P-C4'-P energy: -79.585 tors. eta vs tors. theta energy: -36.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -826.933339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.933339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.933339 (E_RNA) where: Base-Base interactions energy: -324.561 where: short stacking energy: -266.088 Base-Backbone interact. energy: 5.368 local terms energy: -507.740053 where: bonds (distance) C4'-P energy: -132.950 bonds (distance) P-C4' energy: -173.543 flat angles C4'-P-C4' energy: -135.690 flat angles P-C4'-P energy: -68.851 tors. eta vs tors. theta energy: 3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -861.044980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.044980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.044980 (E_RNA) where: Base-Base interactions energy: -373.058 where: short stacking energy: -258.522 Base-Backbone interact. energy: 3.970 local terms energy: -491.957132 where: bonds (distance) C4'-P energy: -144.313 bonds (distance) P-C4' energy: -149.317 flat angles C4'-P-C4' energy: -144.638 flat angles P-C4'-P energy: -72.548 tors. eta vs tors. theta energy: 18.860 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: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1876.187738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.187738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.187738 (E_RNA) where: Base-Base interactions energy: -1014.335 where: short stacking energy: -798.710 Base-Backbone interact. energy: 0.872 local terms energy: -862.724697 where: bonds (distance) C4'-P energy: -174.772 bonds (distance) P-C4' energy: -193.585 flat angles C4'-P-C4' energy: -198.635 flat angles P-C4'-P energy: -114.484 tors. eta vs tors. theta energy: -181.248 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: 10 Temperature: 0.950000 Total energy: -1640.349176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.349176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.349176 (E_RNA) where: Base-Base interactions energy: -804.579 where: short stacking energy: -700.245 Base-Backbone interact. energy: 1.515 local terms energy: -837.285046 where: bonds (distance) C4'-P energy: -178.795 bonds (distance) P-C4' energy: -192.483 flat angles C4'-P-C4' energy: -188.664 flat angles P-C4'-P energy: -118.252 tors. eta vs tors. theta energy: -159.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1652.279444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.279444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.279444 (E_RNA) where: Base-Base interactions energy: -871.895 where: short stacking energy: -583.958 Base-Backbone interact. energy: -1.954 local terms energy: -778.430327 where: bonds (distance) C4'-P energy: -175.317 bonds (distance) P-C4' energy: -185.280 flat angles C4'-P-C4' energy: -180.901 flat angles P-C4'-P energy: -112.307 tors. eta vs tors. theta energy: -124.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1693.339905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.339905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.339905 (E_RNA) where: Base-Base interactions energy: -968.050 where: short stacking energy: -600.400 Base-Backbone interact. energy: -0.254 local terms energy: -725.035979 where: bonds (distance) C4'-P energy: -160.806 bonds (distance) P-C4' energy: -165.412 flat angles C4'-P-C4' energy: -172.500 flat angles P-C4'-P energy: -108.547 tors. eta vs tors. theta energy: -117.770 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: 9 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1487.485924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.485924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.485924 (E_RNA) where: Base-Base interactions energy: -828.172 where: short stacking energy: -498.454 Base-Backbone interact. energy: -0.442 local terms energy: -658.871685 where: bonds (distance) C4'-P energy: -165.300 bonds (distance) P-C4' energy: -165.971 flat angles C4'-P-C4' energy: -153.827 flat angles P-C4'-P energy: -95.449 tors. eta vs tors. theta energy: -78.325 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: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1398.473612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.473612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.473612 (E_RNA) where: Base-Base interactions energy: -748.994 where: short stacking energy: -478.321 Base-Backbone interact. energy: -3.755 local terms energy: -645.724999 where: bonds (distance) C4'-P energy: -171.309 bonds (distance) P-C4' energy: -159.765 flat angles C4'-P-C4' energy: -154.993 flat angles P-C4'-P energy: -75.065 tors. eta vs tors. theta energy: -84.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1221.572068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.572068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.572068 (E_RNA) where: Base-Base interactions energy: -653.695 where: short stacking energy: -400.742 Base-Backbone interact. energy: -5.162 local terms energy: -562.715575 where: bonds (distance) C4'-P energy: -155.584 bonds (distance) P-C4' energy: -150.511 flat angles C4'-P-C4' energy: -128.468 flat angles P-C4'-P energy: -65.659 tors. eta vs tors. theta energy: -62.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -1260.872279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.872279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.872279 (E_RNA) where: Base-Base interactions energy: -659.659 where: short stacking energy: -378.437 Base-Backbone interact. energy: -0.381 local terms energy: -600.831884 where: bonds (distance) C4'-P energy: -144.975 bonds (distance) P-C4' energy: -168.950 flat angles C4'-P-C4' energy: -142.936 flat angles P-C4'-P energy: -95.424 tors. eta vs tors. theta energy: -48.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -958.699326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.699326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.699326 (E_RNA) where: Base-Base interactions energy: -443.737 where: short stacking energy: -318.200 Base-Backbone interact. energy: -2.869 local terms energy: -512.093272 where: bonds (distance) C4'-P energy: -154.259 bonds (distance) P-C4' energy: -148.473 flat angles C4'-P-C4' energy: -132.939 flat angles P-C4'-P energy: -69.720 tors. eta vs tors. theta energy: -6.701 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: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -787.333718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.333718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.333718 (E_RNA) where: Base-Base interactions energy: -317.146 where: short stacking energy: -265.701 Base-Backbone interact. energy: 4.888 local terms energy: -475.075705 where: bonds (distance) C4'-P energy: -133.353 bonds (distance) P-C4' energy: -161.413 flat angles C4'-P-C4' energy: -124.306 flat angles P-C4'-P energy: -65.537 tors. eta vs tors. theta energy: 9.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1934.366236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.366236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.366236 (E_RNA) where: Base-Base interactions energy: -1022.804 where: short stacking energy: -785.993 Base-Backbone interact. energy: 2.612 local terms energy: -914.173961 where: bonds (distance) C4'-P energy: -206.589 bonds (distance) P-C4' energy: -172.201 flat angles C4'-P-C4' energy: -202.316 flat angles P-C4'-P energy: -139.536 tors. eta vs tors. theta energy: -193.532 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: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1898.942233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.942233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.942233 (E_RNA) where: Base-Base interactions energy: -1054.400 where: short stacking energy: -659.119 Base-Backbone interact. energy: -0.494 local terms energy: -844.048201 where: bonds (distance) C4'-P energy: -186.474 bonds (distance) P-C4' energy: -180.058 flat angles C4'-P-C4' energy: -190.010 flat angles P-C4'-P energy: -135.100 tors. eta vs tors. theta energy: -152.406 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: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1463.671256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.671256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.671256 (E_RNA) where: Base-Base interactions energy: -685.145 where: short stacking energy: -572.520 Base-Backbone interact. energy: 1.300 local terms energy: -779.826189 where: bonds (distance) C4'-P energy: -177.189 bonds (distance) P-C4' energy: -180.207 flat angles C4'-P-C4' energy: -168.591 flat angles P-C4'-P energy: -133.160 tors. eta vs tors. theta energy: -120.679 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: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1730.152526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.152526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.152526 (E_RNA) where: Base-Base interactions energy: -982.145 where: short stacking energy: -572.169 Base-Backbone interact. energy: -0.261 local terms energy: -747.746798 where: bonds (distance) C4'-P energy: -159.335 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -192.522 flat angles P-C4'-P energy: -101.080 tors. eta vs tors. theta energy: -127.375 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: 9 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1641.650950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.650950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.650950 (E_RNA) where: Base-Base interactions energy: -927.937 where: short stacking energy: -542.596 Base-Backbone interact. energy: 4.235 local terms energy: -717.949269 where: bonds (distance) C4'-P energy: -145.708 bonds (distance) P-C4' energy: -177.697 flat angles C4'-P-C4' energy: -187.687 flat angles P-C4'-P energy: -108.192 tors. eta vs tors. theta energy: -98.665 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: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1349.544212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.544212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.544212 (E_RNA) where: Base-Base interactions energy: -702.399 where: short stacking energy: -456.056 Base-Backbone interact. energy: 5.610 local terms energy: -652.755965 where: bonds (distance) C4'-P energy: -160.391 bonds (distance) P-C4' energy: -159.900 flat angles C4'-P-C4' energy: -157.363 flat angles P-C4'-P energy: -103.222 tors. eta vs tors. theta energy: -71.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1321.647271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.647271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.647271 (E_RNA) where: Base-Base interactions energy: -720.900 where: short stacking energy: -445.874 Base-Backbone interact. energy: -0.041 local terms energy: -600.706475 where: bonds (distance) C4'-P energy: -150.886 bonds (distance) P-C4' energy: -147.319 flat angles C4'-P-C4' energy: -143.200 flat angles P-C4'-P energy: -78.605 tors. eta vs tors. theta energy: -80.697 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: 8, replica: 8 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1170.991005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.991005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.991005 (E_RNA) where: Base-Base interactions energy: -635.873 where: short stacking energy: -385.647 Base-Backbone interact. energy: -0.945 local terms energy: -534.172650 where: bonds (distance) C4'-P energy: -142.033 bonds (distance) P-C4' energy: -163.576 flat angles C4'-P-C4' energy: -140.205 flat angles P-C4'-P energy: -59.011 tors. eta vs tors. theta energy: -29.346 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: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -973.812982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.812982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.812982 (E_RNA) where: Base-Base interactions energy: -456.375 where: short stacking energy: -300.642 Base-Backbone interact. energy: -0.767 local terms energy: -516.671166 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -140.045 flat angles C4'-P-C4' energy: -138.846 flat angles P-C4'-P energy: -67.372 tors. eta vs tors. theta energy: -21.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -720.709888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.709888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.709888 (E_RNA) where: Base-Base interactions energy: -276.116 where: short stacking energy: -206.315 Base-Backbone interact. energy: -0.256 local terms energy: -444.337334 where: bonds (distance) C4'-P energy: -144.652 bonds (distance) P-C4' energy: -161.757 flat angles C4'-P-C4' energy: -124.055 flat angles P-C4'-P energy: -60.461 tors. eta vs tors. theta energy: 46.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -2057.215519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.215519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.215519 (E_RNA) where: Base-Base interactions energy: -1174.272 where: short stacking energy: -745.705 Base-Backbone interact. energy: -0.433 local terms energy: -882.511229 where: bonds (distance) C4'-P energy: -194.480 bonds (distance) P-C4' energy: -187.189 flat angles C4'-P-C4' energy: -199.029 flat angles P-C4'-P energy: -125.964 tors. eta vs tors. theta energy: -175.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1887.962311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.962311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.962311 (E_RNA) where: Base-Base interactions energy: -990.150 where: short stacking energy: -754.748 Base-Backbone interact. energy: -0.561 local terms energy: -897.251598 where: bonds (distance) C4'-P energy: -173.217 bonds (distance) P-C4' energy: -196.521 flat angles C4'-P-C4' energy: -189.727 flat angles P-C4'-P energy: -127.043 tors. eta vs tors. theta energy: -210.743 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: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1895.708826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.708826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.708826 (E_RNA) where: Base-Base interactions energy: -1107.699 where: short stacking energy: -635.839 Base-Backbone interact. energy: -5.067 local terms energy: -782.943398 where: bonds (distance) C4'-P energy: -159.285 bonds (distance) P-C4' energy: -183.229 flat angles C4'-P-C4' energy: -193.972 flat angles P-C4'-P energy: -123.162 tors. eta vs tors. theta energy: -123.296 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: 1 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1376.113583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.113583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.113583 (E_RNA) where: Base-Base interactions energy: -677.839 where: short stacking energy: -578.528 Base-Backbone interact. energy: -1.133 local terms energy: -697.141443 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -183.761 flat angles C4'-P-C4' energy: -167.111 flat angles P-C4'-P energy: -83.144 tors. eta vs tors. theta energy: -117.673 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: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1594.170732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.170732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.170732 (E_RNA) where: Base-Base interactions energy: -901.573 where: short stacking energy: -543.373 Base-Backbone interact. energy: -3.131 local terms energy: -689.467228 where: bonds (distance) C4'-P energy: -146.807 bonds (distance) P-C4' energy: -167.658 flat angles C4'-P-C4' energy: -174.078 flat angles P-C4'-P energy: -101.519 tors. eta vs tors. theta energy: -99.404 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: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1404.581823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.581823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.581823 (E_RNA) where: Base-Base interactions energy: -754.598 where: short stacking energy: -469.422 Base-Backbone interact. energy: 4.144 local terms energy: -654.127903 where: bonds (distance) C4'-P energy: -168.905 bonds (distance) P-C4' energy: -172.342 flat angles C4'-P-C4' energy: -155.647 flat angles P-C4'-P energy: -75.217 tors. eta vs tors. theta energy: -82.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1420.225065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.225065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.225065 (E_RNA) where: Base-Base interactions energy: -814.556 where: short stacking energy: -468.399 Base-Backbone interact. energy: 0.665 local terms energy: -606.334309 where: bonds (distance) C4'-P energy: -138.818 bonds (distance) P-C4' energy: -167.799 flat angles C4'-P-C4' energy: -129.751 flat angles P-C4'-P energy: -106.534 tors. eta vs tors. theta energy: -63.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1158.256883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.256883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.256883 (E_RNA) where: Base-Base interactions energy: -579.645 where: short stacking energy: -381.177 Base-Backbone interact. energy: -1.970 local terms energy: -576.642008 where: bonds (distance) C4'-P energy: -150.699 bonds (distance) P-C4' energy: -151.867 flat angles C4'-P-C4' energy: -131.501 flat angles P-C4'-P energy: -101.159 tors. eta vs tors. theta energy: -41.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -1056.158155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.158155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.158155 (E_RNA) where: Base-Base interactions energy: -499.204 where: short stacking energy: -322.385 Base-Backbone interact. energy: 4.891 local terms energy: -561.845030 where: bonds (distance) C4'-P energy: -153.568 bonds (distance) P-C4' energy: -170.898 flat angles C4'-P-C4' energy: -140.030 flat angles P-C4'-P energy: -69.972 tors. eta vs tors. theta energy: -27.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -785.516684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.516684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.516684 (E_RNA) where: Base-Base interactions energy: -303.171 where: short stacking energy: -228.845 Base-Backbone interact. energy: 0.208 local terms energy: -482.553712 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -139.287 flat angles P-C4'-P energy: -72.592 tors. eta vs tors. theta energy: 43.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -2057.836816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.836816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.836816 (E_RNA) where: Base-Base interactions energy: -1201.188 where: short stacking energy: -776.663 Base-Backbone interact. energy: -0.194 local terms energy: -856.454947 where: bonds (distance) C4'-P energy: -179.228 bonds (distance) P-C4' energy: -195.009 flat angles C4'-P-C4' energy: -198.536 flat angles P-C4'-P energy: -107.368 tors. eta vs tors. theta energy: -176.314 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: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -2023.721285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.721285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.721285 (E_RNA) where: Base-Base interactions energy: -1198.176 where: short stacking energy: -660.822 Base-Backbone interact. energy: -1.873 local terms energy: -823.672852 where: bonds (distance) C4'-P energy: -177.215 bonds (distance) P-C4' energy: -187.464 flat angles C4'-P-C4' energy: -193.073 flat angles P-C4'-P energy: -125.096 tors. eta vs tors. theta energy: -140.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1773.742068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.742068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.742068 (E_RNA) where: Base-Base interactions energy: -924.133 where: short stacking energy: -706.760 Base-Backbone interact. energy: -2.378 local terms energy: -847.230983 where: bonds (distance) C4'-P energy: -190.496 bonds (distance) P-C4' energy: -177.347 flat angles C4'-P-C4' energy: -182.169 flat angles P-C4'-P energy: -108.342 tors. eta vs tors. theta energy: -188.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1755.123433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.123433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.123433 (E_RNA) where: Base-Base interactions energy: -1006.800 where: short stacking energy: -549.604 Base-Backbone interact. energy: -0.167 local terms energy: -748.156506 where: bonds (distance) C4'-P energy: -176.770 bonds (distance) P-C4' energy: -178.386 flat angles C4'-P-C4' energy: -181.330 flat angles P-C4'-P energy: -111.573 tors. eta vs tors. theta energy: -100.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1346.019687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.019687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.019687 (E_RNA) where: Base-Base interactions energy: -667.130 where: short stacking energy: -477.390 Base-Backbone interact. energy: 1.428 local terms energy: -680.317028 where: bonds (distance) C4'-P energy: -159.127 bonds (distance) P-C4' energy: -170.573 flat angles C4'-P-C4' energy: -174.371 flat angles P-C4'-P energy: -90.322 tors. eta vs tors. theta energy: -85.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1577.082419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.082419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.082419 (E_RNA) where: Base-Base interactions energy: -911.885 where: short stacking energy: -493.375 Base-Backbone interact. energy: -2.615 local terms energy: -662.582530 where: bonds (distance) C4'-P energy: -165.852 bonds (distance) P-C4' energy: -158.085 flat angles C4'-P-C4' energy: -150.404 flat angles P-C4'-P energy: -90.607 tors. eta vs tors. theta energy: -97.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1512.951395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.951395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.951395 (E_RNA) where: Base-Base interactions energy: -894.364 where: short stacking energy: -471.241 Base-Backbone interact. energy: -3.069 local terms energy: -615.519026 where: bonds (distance) C4'-P energy: -147.661 bonds (distance) P-C4' energy: -160.960 flat angles C4'-P-C4' energy: -145.403 flat angles P-C4'-P energy: -86.920 tors. eta vs tors. theta energy: -74.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1198.127837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.127837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.127837 (E_RNA) where: Base-Base interactions energy: -662.090 where: short stacking energy: -417.548 Base-Backbone interact. energy: 2.773 local terms energy: -538.810361 where: bonds (distance) C4'-P energy: -130.568 bonds (distance) P-C4' energy: -171.820 flat angles C4'-P-C4' energy: -143.861 flat angles P-C4'-P energy: -56.249 tors. eta vs tors. theta energy: -36.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -1014.873191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.873191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.873191 (E_RNA) where: Base-Base interactions energy: -515.521 where: short stacking energy: -343.764 Base-Backbone interact. energy: -0.931 local terms energy: -498.421312 where: bonds (distance) C4'-P energy: -134.690 bonds (distance) P-C4' energy: -136.572 flat angles C4'-P-C4' energy: -132.597 flat angles P-C4'-P energy: -86.676 tors. eta vs tors. theta energy: -7.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -830.494977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.494977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.494977 (E_RNA) where: Base-Base interactions energy: -359.221 where: short stacking energy: -248.559 Base-Backbone interact. energy: 1.930 local terms energy: -473.203570 where: bonds (distance) C4'-P energy: -157.177 bonds (distance) P-C4' energy: -142.583 flat angles C4'-P-C4' energy: -109.886 flat angles P-C4'-P energy: -73.033 tors. eta vs tors. theta energy: 9.474 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: 4 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -2266.467241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.467241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.467241 (E_RNA) where: Base-Base interactions energy: -1376.439 where: short stacking energy: -735.883 Base-Backbone interact. energy: -4.274 local terms energy: -885.753802 where: bonds (distance) C4'-P energy: -188.339 bonds (distance) P-C4' energy: -180.272 flat angles C4'-P-C4' energy: -213.936 flat angles P-C4'-P energy: -123.336 tors. eta vs tors. theta energy: -179.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1991.893812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.893812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.893812 (E_RNA) where: Base-Base interactions energy: -1167.986 where: short stacking energy: -731.252 Base-Backbone interact. energy: 1.910 local terms energy: -825.817856 where: bonds (distance) C4'-P energy: -177.815 bonds (distance) P-C4' energy: -185.697 flat angles C4'-P-C4' energy: -196.984 flat angles P-C4'-P energy: -105.452 tors. eta vs tors. theta energy: -159.870 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: 9 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1976.948899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.948899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.948899 (E_RNA) where: Base-Base interactions energy: -1162.789 where: short stacking energy: -689.490 Base-Backbone interact. energy: 1.156 local terms energy: -815.315428 where: bonds (distance) C4'-P energy: -185.293 bonds (distance) P-C4' energy: -181.859 flat angles C4'-P-C4' energy: -182.779 flat angles P-C4'-P energy: -125.249 tors. eta vs tors. theta energy: -140.135 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: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1572.749544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.749544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.749544 (E_RNA) where: Base-Base interactions energy: -832.089 where: short stacking energy: -595.687 Base-Backbone interact. energy: -3.707 local terms energy: -736.954464 where: bonds (distance) C4'-P energy: -171.544 bonds (distance) P-C4' energy: -169.060 flat angles C4'-P-C4' energy: -170.375 flat angles P-C4'-P energy: -112.881 tors. eta vs tors. theta energy: -113.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1716.472702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.472702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.472702 (E_RNA) where: Base-Base interactions energy: -1053.794 where: short stacking energy: -561.463 Base-Backbone interact. energy: 0.614 local terms energy: -663.292079 where: bonds (distance) C4'-P energy: -150.773 bonds (distance) P-C4' energy: -151.297 flat angles C4'-P-C4' energy: -164.903 flat angles P-C4'-P energy: -103.877 tors. eta vs tors. theta energy: -92.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1244.581644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.581644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.581644 (E_RNA) where: Base-Base interactions energy: -626.957 where: short stacking energy: -411.748 Base-Backbone interact. energy: -0.230 local terms energy: -617.394640 where: bonds (distance) C4'-P energy: -157.037 bonds (distance) P-C4' energy: -169.350 flat angles C4'-P-C4' energy: -145.697 flat angles P-C4'-P energy: -83.111 tors. eta vs tors. theta energy: -62.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1589.167027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.167027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.167027 (E_RNA) where: Base-Base interactions energy: -925.881 where: short stacking energy: -506.194 Base-Backbone interact. energy: 0.191 local terms energy: -663.476425 where: bonds (distance) C4'-P energy: -154.133 bonds (distance) P-C4' energy: -175.415 flat angles C4'-P-C4' energy: -163.093 flat angles P-C4'-P energy: -93.563 tors. eta vs tors. theta energy: -77.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1241.826004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.826004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.826004 (E_RNA) where: Base-Base interactions energy: -684.171 where: short stacking energy: -411.775 Base-Backbone interact. energy: -2.138 local terms energy: -555.517637 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -159.293 flat angles C4'-P-C4' energy: -125.697 flat angles P-C4'-P energy: -98.028 tors. eta vs tors. theta energy: -43.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -1003.165642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.165642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.165642 (E_RNA) where: Base-Base interactions energy: -483.440 where: short stacking energy: -305.479 Base-Backbone interact. energy: 2.603 local terms energy: -522.328650 where: bonds (distance) C4'-P energy: -136.329 bonds (distance) P-C4' energy: -158.687 flat angles C4'-P-C4' energy: -127.692 flat angles P-C4'-P energy: -89.248 tors. eta vs tors. theta energy: -10.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -880.200480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.200480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.200480 (E_RNA) where: Base-Base interactions energy: -380.479 where: short stacking energy: -254.475 Base-Backbone interact. energy: -2.151 local terms energy: -497.570942 where: bonds (distance) C4'-P energy: -154.795 bonds (distance) P-C4' energy: -161.364 flat angles C4'-P-C4' energy: -120.869 flat angles P-C4'-P energy: -76.589 tors. eta vs tors. theta energy: 16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -2341.426677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.426677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.426677 (E_RNA) where: Base-Base interactions energy: -1444.010 where: short stacking energy: -788.401 Base-Backbone interact. energy: -0.792 local terms energy: -896.624581 where: bonds (distance) C4'-P energy: -179.961 bonds (distance) P-C4' energy: -189.442 flat angles C4'-P-C4' energy: -213.340 flat angles P-C4'-P energy: -115.696 tors. eta vs tors. theta energy: -198.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1993.748259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.748259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.748259 (E_RNA) where: Base-Base interactions energy: -1185.816 where: short stacking energy: -735.402 Base-Backbone interact. energy: -2.168 local terms energy: -805.763981 where: bonds (distance) C4'-P energy: -167.012 bonds (distance) P-C4' energy: -179.166 flat angles C4'-P-C4' energy: -180.269 flat angles P-C4'-P energy: -106.484 tors. eta vs tors. theta energy: -172.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -2066.203176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.203176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.203176 (E_RNA) where: Base-Base interactions energy: -1289.257 where: short stacking energy: -697.512 Base-Backbone interact. energy: -3.849 local terms energy: -773.097236 where: bonds (distance) C4'-P energy: -160.228 bonds (distance) P-C4' energy: -165.855 flat angles C4'-P-C4' energy: -180.355 flat angles P-C4'-P energy: -109.260 tors. eta vs tors. theta energy: -157.399 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: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1884.086905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.086905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.086905 (E_RNA) where: Base-Base interactions energy: -1132.712 where: short stacking energy: -600.261 Base-Backbone interact. energy: -0.431 local terms energy: -750.943840 where: bonds (distance) C4'-P energy: -182.621 bonds (distance) P-C4' energy: -180.316 flat angles C4'-P-C4' energy: -179.695 flat angles P-C4'-P energy: -91.183 tors. eta vs tors. theta energy: -117.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1446.714708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.714708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.714708 (E_RNA) where: Base-Base interactions energy: -765.664 where: short stacking energy: -507.293 Base-Backbone interact. energy: -1.870 local terms energy: -679.180630 where: bonds (distance) C4'-P energy: -143.773 bonds (distance) P-C4' energy: -160.408 flat angles C4'-P-C4' energy: -175.291 flat angles P-C4'-P energy: -104.193 tors. eta vs tors. theta energy: -95.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1755.383060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.383060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.383060 (E_RNA) where: Base-Base interactions energy: -1104.563 where: short stacking energy: -574.133 Base-Backbone interact. energy: -4.743 local terms energy: -646.076822 where: bonds (distance) C4'-P energy: -139.614 bonds (distance) P-C4' energy: -160.222 flat angles C4'-P-C4' energy: -141.861 flat angles P-C4'-P energy: -103.596 tors. eta vs tors. theta energy: -100.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1149.012605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.012605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.012605 (E_RNA) where: Base-Base interactions energy: -590.877 where: short stacking energy: -415.330 Base-Backbone interact. energy: -2.864 local terms energy: -555.271716 where: bonds (distance) C4'-P energy: -126.415 bonds (distance) P-C4' energy: -157.152 flat angles C4'-P-C4' energy: -158.904 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -51.674 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1199.586942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.586942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.586942 (E_RNA) where: Base-Base interactions energy: -628.310 where: short stacking energy: -376.460 Base-Backbone interact. energy: -0.245 local terms energy: -571.032011 where: bonds (distance) C4'-P energy: -130.616 bonds (distance) P-C4' energy: -172.980 flat angles C4'-P-C4' energy: -150.428 flat angles P-C4'-P energy: -75.448 tors. eta vs tors. theta energy: -41.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -1022.618176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.618176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.618176 (E_RNA) where: Base-Base interactions energy: -500.416 where: short stacking energy: -310.440 Base-Backbone interact. energy: 9.300 local terms energy: -531.502568 where: bonds (distance) C4'-P energy: -148.048 bonds (distance) P-C4' energy: -164.482 flat angles C4'-P-C4' energy: -142.522 flat angles P-C4'-P energy: -75.786 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -1017.909556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.909556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.909556 (E_RNA) where: Base-Base interactions energy: -529.543 where: short stacking energy: -288.360 Base-Backbone interact. energy: -1.489 local terms energy: -486.877748 where: bonds (distance) C4'-P energy: -136.998 bonds (distance) P-C4' energy: -154.708 flat angles C4'-P-C4' energy: -134.049 flat angles P-C4'-P energy: -70.927 tors. eta vs tors. theta energy: 9.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2412.780692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.780692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.780692 (E_RNA) where: Base-Base interactions energy: -1530.020 where: short stacking energy: -801.374 Base-Backbone interact. energy: 2.353 local terms energy: -885.113464 where: bonds (distance) C4'-P energy: -168.661 bonds (distance) P-C4' energy: -196.299 flat angles C4'-P-C4' energy: -197.923 flat angles P-C4'-P energy: -130.208 tors. eta vs tors. theta energy: -192.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -2043.659093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.659093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.659093 (E_RNA) where: Base-Base interactions energy: -1185.443 where: short stacking energy: -718.204 Base-Backbone interact. energy: -4.926 local terms energy: -853.290407 where: bonds (distance) C4'-P energy: -181.521 bonds (distance) P-C4' energy: -179.882 flat angles C4'-P-C4' energy: -188.374 flat angles P-C4'-P energy: -125.023 tors. eta vs tors. theta energy: -178.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -2154.050710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.050710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.050710 (E_RNA) where: Base-Base interactions energy: -1342.358 where: short stacking energy: -706.642 Base-Backbone interact. energy: -3.718 local terms energy: -807.974687 where: bonds (distance) C4'-P energy: -171.653 bonds (distance) P-C4' energy: -185.233 flat angles C4'-P-C4' energy: -191.482 flat angles P-C4'-P energy: -108.740 tors. eta vs tors. theta energy: -150.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1902.821023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.821023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.821023 (E_RNA) where: Base-Base interactions energy: -1148.861 where: short stacking energy: -613.108 Base-Backbone interact. energy: 1.509 local terms energy: -755.469104 where: bonds (distance) C4'-P energy: -165.726 bonds (distance) P-C4' energy: -174.127 flat angles C4'-P-C4' energy: -161.143 flat angles P-C4'-P energy: -103.214 tors. eta vs tors. theta energy: -151.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1927.233845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.233845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.233845 (E_RNA) where: Base-Base interactions energy: -1217.974 where: short stacking energy: -610.544 Base-Backbone interact. energy: 3.558 local terms energy: -712.817801 where: bonds (distance) C4'-P energy: -157.912 bonds (distance) P-C4' energy: -161.523 flat angles C4'-P-C4' energy: -161.203 flat angles P-C4'-P energy: -106.113 tors. eta vs tors. theta energy: -126.067 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: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1436.969025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.969025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.969025 (E_RNA) where: Base-Base interactions energy: -745.726 where: short stacking energy: -474.145 Base-Backbone interact. energy: -0.944 local terms energy: -690.299246 where: bonds (distance) C4'-P energy: -152.641 bonds (distance) P-C4' energy: -174.654 flat angles C4'-P-C4' energy: -169.745 flat angles P-C4'-P energy: -108.964 tors. eta vs tors. theta energy: -84.296 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: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1378.432941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.432941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.432941 (E_RNA) where: Base-Base interactions energy: -744.277 where: short stacking energy: -399.881 Base-Backbone interact. energy: 2.252 local terms energy: -636.408480 where: bonds (distance) C4'-P energy: -151.530 bonds (distance) P-C4' energy: -162.160 flat angles C4'-P-C4' energy: -179.514 flat angles P-C4'-P energy: -98.252 tors. eta vs tors. theta energy: -44.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1107.480860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.480860 (E_RNA) where: Base-Base interactions energy: -557.291 where: short stacking energy: -337.404 Base-Backbone interact. energy: 0.371 local terms energy: -550.561378 where: bonds (distance) C4'-P energy: -163.768 bonds (distance) P-C4' energy: -165.741 flat angles C4'-P-C4' energy: -122.347 flat angles P-C4'-P energy: -85.859 tors. eta vs tors. theta energy: -12.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -1077.403822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.403822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.403822 (E_RNA) where: Base-Base interactions energy: -547.116 where: short stacking energy: -365.908 Base-Backbone interact. energy: -1.856 local terms energy: -528.432047 where: bonds (distance) C4'-P energy: -149.970 bonds (distance) P-C4' energy: -153.286 flat angles C4'-P-C4' energy: -141.767 flat angles P-C4'-P energy: -69.258 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -1017.983274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.983274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.983274 (E_RNA) where: Base-Base interactions energy: -525.298 where: short stacking energy: -293.905 Base-Backbone interact. energy: 8.494 local terms energy: -501.179091 where: bonds (distance) C4'-P energy: -136.662 bonds (distance) P-C4' energy: -165.970 flat angles C4'-P-C4' energy: -106.271 flat angles P-C4'-P energy: -84.639 tors. eta vs tors. theta energy: -7.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2435.384691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.384691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.384691 (E_RNA) where: Base-Base interactions energy: -1544.310 where: short stacking energy: -806.835 Base-Backbone interact. energy: -2.426 local terms energy: -888.648439 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -190.190 flat angles C4'-P-C4' energy: -197.406 flat angles P-C4'-P energy: -143.463 tors. eta vs tors. theta energy: -186.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -2339.774389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.774389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.774389 (E_RNA) where: Base-Base interactions energy: -1446.384 where: short stacking energy: -768.601 Base-Backbone interact. energy: -1.724 local terms energy: -891.665770 where: bonds (distance) C4'-P energy: -195.841 bonds (distance) P-C4' energy: -175.418 flat angles C4'-P-C4' energy: -198.471 flat angles P-C4'-P energy: -124.052 tors. eta vs tors. theta energy: -197.884 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: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1989.853950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.853950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.853950 (E_RNA) where: Base-Base interactions energy: -1159.480 where: short stacking energy: -727.149 Base-Backbone interact. energy: -2.637 local terms energy: -827.736415 where: bonds (distance) C4'-P energy: -155.870 bonds (distance) P-C4' energy: -182.425 flat angles C4'-P-C4' energy: -197.076 flat angles P-C4'-P energy: -133.418 tors. eta vs tors. theta energy: -158.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -2070.233912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.233912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.233912 (E_RNA) where: Base-Base interactions energy: -1308.904 where: short stacking energy: -696.257 Base-Backbone interact. energy: 5.571 local terms energy: -766.901423 where: bonds (distance) C4'-P energy: -180.504 bonds (distance) P-C4' energy: -152.207 flat angles C4'-P-C4' energy: -187.781 flat angles P-C4'-P energy: -110.376 tors. eta vs tors. theta energy: -136.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1860.651862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.651862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.651862 (E_RNA) where: Base-Base interactions energy: -1119.696 where: short stacking energy: -606.930 Base-Backbone interact. energy: 3.731 local terms energy: -744.686815 where: bonds (distance) C4'-P energy: -159.858 bonds (distance) P-C4' energy: -180.887 flat angles C4'-P-C4' energy: -181.348 flat angles P-C4'-P energy: -97.709 tors. eta vs tors. theta energy: -124.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1568.879027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.879027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.879027 (E_RNA) where: Base-Base interactions energy: -884.942 where: short stacking energy: -494.098 Base-Backbone interact. energy: -1.421 local terms energy: -682.516550 where: bonds (distance) C4'-P energy: -161.233 bonds (distance) P-C4' energy: -178.795 flat angles C4'-P-C4' energy: -169.760 flat angles P-C4'-P energy: -89.630 tors. eta vs tors. theta energy: -83.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1418.983907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.983907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.983907 (E_RNA) where: Base-Base interactions energy: -798.435 where: short stacking energy: -515.265 Base-Backbone interact. energy: 4.010 local terms energy: -624.558090 where: bonds (distance) C4'-P energy: -160.557 bonds (distance) P-C4' energy: -137.841 flat angles C4'-P-C4' energy: -152.740 flat angles P-C4'-P energy: -92.634 tors. eta vs tors. theta energy: -80.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -1189.310228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.310228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.310228 (E_RNA) where: Base-Base interactions energy: -652.059 where: short stacking energy: -380.676 Base-Backbone interact. energy: -0.289 local terms energy: -536.962486 where: bonds (distance) C4'-P energy: -133.387 bonds (distance) P-C4' energy: -159.148 flat angles C4'-P-C4' energy: -134.766 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -20.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1108.740222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.740222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.740222 (E_RNA) where: Base-Base interactions energy: -597.578 where: short stacking energy: -342.068 Base-Backbone interact. energy: 4.776 local terms energy: -515.939188 where: bonds (distance) C4'-P energy: -147.706 bonds (distance) P-C4' energy: -154.106 flat angles C4'-P-C4' energy: -146.727 flat angles P-C4'-P energy: -52.188 tors. eta vs tors. theta energy: -15.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -1076.871609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.871609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.871609 (E_RNA) where: Base-Base interactions energy: -544.893 where: short stacking energy: -304.501 Base-Backbone interact. energy: -2.900 local terms energy: -529.078705 where: bonds (distance) C4'-P energy: -151.720 bonds (distance) P-C4' energy: -141.617 flat angles C4'-P-C4' energy: -142.689 flat angles P-C4'-P energy: -103.153 tors. eta vs tors. theta energy: 10.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2418.570504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.570504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.570504 (E_RNA) where: Base-Base interactions energy: -1541.093 where: short stacking energy: -784.632 Base-Backbone interact. energy: 1.108 local terms energy: -878.585974 where: bonds (distance) C4'-P energy: -185.499 bonds (distance) P-C4' energy: -178.736 flat angles C4'-P-C4' energy: -204.415 flat angles P-C4'-P energy: -127.336 tors. eta vs tors. theta energy: -182.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -2368.760000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.760000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.760000 (E_RNA) where: Base-Base interactions energy: -1478.225 where: short stacking energy: -768.545 Base-Backbone interact. energy: -3.474 local terms energy: -887.060740 where: bonds (distance) C4'-P energy: -167.649 bonds (distance) P-C4' energy: -183.598 flat angles C4'-P-C4' energy: -203.825 flat angles P-C4'-P energy: -136.438 tors. eta vs tors. theta energy: -195.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2209.150225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.150225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.150225 (E_RNA) where: Base-Base interactions energy: -1394.611 where: short stacking energy: -732.030 Base-Backbone interact. energy: -3.056 local terms energy: -811.483206 where: bonds (distance) C4'-P energy: -171.131 bonds (distance) P-C4' energy: -183.067 flat angles C4'-P-C4' energy: -193.410 flat angles P-C4'-P energy: -107.112 tors. eta vs tors. theta energy: -156.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1892.324431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.324431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.324431 (E_RNA) where: Base-Base interactions energy: -1134.469 where: short stacking energy: -640.816 Base-Backbone interact. energy: -1.447 local terms energy: -756.409319 where: bonds (distance) C4'-P energy: -153.331 bonds (distance) P-C4' energy: -199.126 flat angles C4'-P-C4' energy: -179.568 flat angles P-C4'-P energy: -104.307 tors. eta vs tors. theta energy: -120.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1837.329723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.329723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.329723 (E_RNA) where: Base-Base interactions energy: -1133.278 where: short stacking energy: -608.064 Base-Backbone interact. energy: -2.226 local terms energy: -701.826265 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -161.478 flat angles C4'-P-C4' energy: -161.432 flat angles P-C4'-P energy: -104.818 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: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1590.114407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.114407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.114407 (E_RNA) where: Base-Base interactions energy: -940.824 where: short stacking energy: -468.407 Base-Backbone interact. energy: 2.074 local terms energy: -651.364286 where: bonds (distance) C4'-P energy: -159.348 bonds (distance) P-C4' energy: -157.569 flat angles C4'-P-C4' energy: -155.763 flat angles P-C4'-P energy: -105.682 tors. eta vs tors. theta energy: -73.002 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: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -1452.339587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.339587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.339587 (E_RNA) where: Base-Base interactions energy: -780.580 where: short stacking energy: -475.728 Base-Backbone interact. energy: -2.154 local terms energy: -669.604842 where: bonds (distance) C4'-P energy: -152.240 bonds (distance) P-C4' energy: -160.912 flat angles C4'-P-C4' energy: -173.963 flat angles P-C4'-P energy: -108.772 tors. eta vs tors. theta energy: -73.717 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: 18 Temperature: 1.250000 Total energy: -1166.183491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.183491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.183491 (E_RNA) where: Base-Base interactions energy: -611.034 where: short stacking energy: -364.449 Base-Backbone interact. energy: 6.128 local terms energy: -561.277711 where: bonds (distance) C4'-P energy: -158.851 bonds (distance) P-C4' energy: -152.397 flat angles C4'-P-C4' energy: -130.963 flat angles P-C4'-P energy: -90.086 tors. eta vs tors. theta energy: -28.981 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: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -1087.539701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.539701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.539701 (E_RNA) where: Base-Base interactions energy: -572.453 where: short stacking energy: -311.773 Base-Backbone interact. energy: -0.950 local terms energy: -514.136573 where: bonds (distance) C4'-P energy: -146.080 bonds (distance) P-C4' energy: -158.742 flat angles C4'-P-C4' energy: -120.771 flat angles P-C4'-P energy: -81.576 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -1059.965113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.965113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.965113 (E_RNA) where: Base-Base interactions energy: -554.506 where: short stacking energy: -312.358 Base-Backbone interact. energy: 7.843 local terms energy: -513.302140 where: bonds (distance) C4'-P energy: -149.592 bonds (distance) P-C4' energy: -143.758 flat angles C4'-P-C4' energy: -136.961 flat angles P-C4'-P energy: -87.995 tors. eta vs tors. theta energy: 5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2442.362847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.362847 (E_RNA) where: Base-Base interactions energy: -1542.229 where: short stacking energy: -809.120 Base-Backbone interact. energy: -4.606 local terms energy: -895.527481 where: bonds (distance) C4'-P energy: -179.532 bonds (distance) P-C4' energy: -189.954 flat angles C4'-P-C4' energy: -208.711 flat angles P-C4'-P energy: -123.355 tors. eta vs tors. theta energy: -193.976 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: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2352.191819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.191819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.191819 (E_RNA) where: Base-Base interactions energy: -1477.894 where: short stacking energy: -770.805 Base-Backbone interact. energy: 0.390 local terms energy: -874.687628 where: bonds (distance) C4'-P energy: -192.256 bonds (distance) P-C4' energy: -194.424 flat angles C4'-P-C4' energy: -189.633 flat angles P-C4'-P energy: -121.147 tors. eta vs tors. theta energy: -177.227 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: 19 Temperature: 1.000000 Total energy: -2262.858778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.858778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.858778 (E_RNA) where: Base-Base interactions energy: -1442.806 where: short stacking energy: -717.001 Base-Backbone interact. energy: -3.585 local terms energy: -816.467930 where: bonds (distance) C4'-P energy: -191.533 bonds (distance) P-C4' energy: -175.549 flat angles C4'-P-C4' energy: -184.450 flat angles P-C4'-P energy: -102.102 tors. eta vs tors. theta energy: -162.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -2026.960427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.960427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.960427 (E_RNA) where: Base-Base interactions energy: -1286.270 where: short stacking energy: -617.320 Base-Backbone interact. energy: -4.022 local terms energy: -736.668530 where: bonds (distance) C4'-P energy: -170.007 bonds (distance) P-C4' energy: -167.405 flat angles C4'-P-C4' energy: -176.876 flat angles P-C4'-P energy: -112.096 tors. eta vs tors. theta energy: -110.284 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: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1752.502585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.502585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.502585 (E_RNA) where: Base-Base interactions energy: -1027.125 where: short stacking energy: -573.897 Base-Backbone interact. energy: 6.271 local terms energy: -731.648733 where: bonds (distance) C4'-P energy: -169.059 bonds (distance) P-C4' energy: -172.490 flat angles C4'-P-C4' energy: -173.164 flat angles P-C4'-P energy: -90.612 tors. eta vs tors. theta energy: -126.323 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: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1759.260551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.260551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.260551 (E_RNA) where: Base-Base interactions energy: -1089.635 where: short stacking energy: -537.004 Base-Backbone interact. energy: 3.512 local terms energy: -673.137395 where: bonds (distance) C4'-P energy: -156.687 bonds (distance) P-C4' energy: -176.944 flat angles C4'-P-C4' energy: -152.472 flat angles P-C4'-P energy: -96.007 tors. eta vs tors. theta energy: -91.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -1443.261797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.261797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.261797 (E_RNA) where: Base-Base interactions energy: -791.199 where: short stacking energy: -468.470 Base-Backbone interact. energy: -0.007 local terms energy: -652.055614 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -161.071 flat angles C4'-P-C4' energy: -165.822 flat angles P-C4'-P energy: -106.514 tors. eta vs tors. theta energy: -72.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1241.566959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.566959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.566959 (E_RNA) where: Base-Base interactions energy: -669.592 where: short stacking energy: -403.831 Base-Backbone interact. energy: 1.834 local terms energy: -573.808765 where: bonds (distance) C4'-P energy: -150.692 bonds (distance) P-C4' energy: -151.214 flat angles C4'-P-C4' energy: -143.090 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -37.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1149.518880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.518880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.518880 (E_RNA) where: Base-Base interactions energy: -613.035 where: short stacking energy: -351.343 Base-Backbone interact. energy: 5.663 local terms energy: -542.146795 where: bonds (distance) C4'-P energy: -141.718 bonds (distance) P-C4' energy: -155.619 flat angles C4'-P-C4' energy: -151.016 flat angles P-C4'-P energy: -68.049 tors. eta vs tors. theta energy: -25.745 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: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -1111.541675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.541675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.541675 (E_RNA) where: Base-Base interactions energy: -597.637 where: short stacking energy: -340.986 Base-Backbone interact. energy: -0.725 local terms energy: -513.179763 where: bonds (distance) C4'-P energy: -152.720 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -122.126 flat angles P-C4'-P energy: -79.665 tors. eta vs tors. theta energy: -18.801 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: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2498.738850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.738850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.738850 (E_RNA) where: Base-Base interactions energy: -1611.588 where: short stacking energy: -814.716 Base-Backbone interact. energy: -1.569 local terms energy: -885.582256 where: bonds (distance) C4'-P energy: -170.534 bonds (distance) P-C4' energy: -182.629 flat angles C4'-P-C4' energy: -201.580 flat angles P-C4'-P energy: -130.252 tors. eta vs tors. theta energy: -200.587 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: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2415.151824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.151824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.151824 (E_RNA) where: Base-Base interactions energy: -1525.943 where: short stacking energy: -776.247 Base-Backbone interact. energy: -1.149 local terms energy: -888.059968 where: bonds (distance) C4'-P energy: -183.190 bonds (distance) P-C4' energy: -195.789 flat angles C4'-P-C4' energy: -197.636 flat angles P-C4'-P energy: -127.156 tors. eta vs tors. theta energy: -184.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -2320.678354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.678354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.678354 (E_RNA) where: Base-Base interactions energy: -1471.545 where: short stacking energy: -748.361 Base-Backbone interact. energy: -4.618 local terms energy: -844.515537 where: bonds (distance) C4'-P energy: -183.467 bonds (distance) P-C4' energy: -181.258 flat angles C4'-P-C4' energy: -191.581 flat angles P-C4'-P energy: -117.054 tors. eta vs tors. theta energy: -171.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -2092.054387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.054387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.054387 (E_RNA) where: Base-Base interactions energy: -1340.465 where: short stacking energy: -668.916 Base-Backbone interact. energy: -1.015 local terms energy: -750.574676 where: bonds (distance) C4'-P energy: -155.497 bonds (distance) P-C4' energy: -151.537 flat angles C4'-P-C4' energy: -176.960 flat angles P-C4'-P energy: -103.960 tors. eta vs tors. theta energy: -162.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1983.041943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.041943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.041943 (E_RNA) where: Base-Base interactions energy: -1229.645 where: short stacking energy: -586.736 Base-Backbone interact. energy: 1.320 local terms energy: -754.716322 where: bonds (distance) C4'-P energy: -153.694 bonds (distance) P-C4' energy: -184.114 flat angles C4'-P-C4' energy: -183.024 flat angles P-C4'-P energy: -109.607 tors. eta vs tors. theta energy: -124.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1653.598302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.598302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.598302 (E_RNA) where: Base-Base interactions energy: -952.928 where: short stacking energy: -544.758 Base-Backbone interact. energy: -2.788 local terms energy: -697.881815 where: bonds (distance) C4'-P energy: -161.892 bonds (distance) P-C4' energy: -150.554 flat angles C4'-P-C4' energy: -165.711 flat angles P-C4'-P energy: -103.553 tors. eta vs tors. theta energy: -116.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1501.472853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.472853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.472853 (E_RNA) where: Base-Base interactions energy: -840.306 where: short stacking energy: -486.195 Base-Backbone interact. energy: -2.182 local terms energy: -658.985190 where: bonds (distance) C4'-P energy: -154.348 bonds (distance) P-C4' energy: -163.411 flat angles C4'-P-C4' energy: -162.507 flat angles P-C4'-P energy: -97.077 tors. eta vs tors. theta energy: -81.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1179.115379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.115379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.115379 (E_RNA) where: Base-Base interactions energy: -616.507 where: short stacking energy: -363.096 Base-Backbone interact. energy: 2.556 local terms energy: -565.164986 where: bonds (distance) C4'-P energy: -148.740 bonds (distance) P-C4' energy: -160.434 flat angles C4'-P-C4' energy: -148.020 flat angles P-C4'-P energy: -66.756 tors. eta vs tors. theta energy: -41.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1303.224517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.224517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.224517 (E_RNA) where: Base-Base interactions energy: -776.255 where: short stacking energy: -418.500 Base-Backbone interact. energy: 3.340 local terms energy: -530.309603 where: bonds (distance) C4'-P energy: -113.254 bonds (distance) P-C4' energy: -151.476 flat angles C4'-P-C4' energy: -146.250 flat angles P-C4'-P energy: -73.347 tors. eta vs tors. theta energy: -45.982 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: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -1101.302577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.302577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.302577 (E_RNA) where: Base-Base interactions energy: -600.163 where: short stacking energy: -307.973 Base-Backbone interact. energy: 5.996 local terms energy: -507.136156 where: bonds (distance) C4'-P energy: -153.864 bonds (distance) P-C4' energy: -149.059 flat angles C4'-P-C4' energy: -134.815 flat angles P-C4'-P energy: -76.555 tors. eta vs tors. theta energy: 7.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2479.096557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.096557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.096557 (E_RNA) where: Base-Base interactions energy: -1579.194 where: short stacking energy: -813.937 Base-Backbone interact. energy: -4.023 local terms energy: -895.879048 where: bonds (distance) C4'-P energy: -177.325 bonds (distance) P-C4' energy: -182.741 flat angles C4'-P-C4' energy: -207.964 flat angles P-C4'-P energy: -130.653 tors. eta vs tors. theta energy: -197.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2451.947991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.947991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.947991 (E_RNA) where: Base-Base interactions energy: -1595.839 where: short stacking energy: -771.829 Base-Backbone interact. energy: 1.393 local terms energy: -857.501767 where: bonds (distance) C4'-P energy: -179.980 bonds (distance) P-C4' energy: -178.946 flat angles C4'-P-C4' energy: -193.061 flat angles P-C4'-P energy: -117.597 tors. eta vs tors. theta energy: -187.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -2417.754348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.754348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.754348 (E_RNA) where: Base-Base interactions energy: -1557.034 where: short stacking energy: -749.176 Base-Backbone interact. energy: -3.995 local terms energy: -856.725169 where: bonds (distance) C4'-P energy: -197.770 bonds (distance) P-C4' energy: -174.624 flat angles C4'-P-C4' energy: -185.775 flat angles P-C4'-P energy: -115.517 tors. eta vs tors. theta energy: -183.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -2121.263534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.263534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.263534 (E_RNA) where: Base-Base interactions energy: -1331.297 where: short stacking energy: -701.629 Base-Backbone interact. energy: -1.016 local terms energy: -788.950691 where: bonds (distance) C4'-P energy: -162.759 bonds (distance) P-C4' energy: -169.677 flat angles C4'-P-C4' energy: -183.249 flat angles P-C4'-P energy: -107.561 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: 21 Temperature: 1.100000 Total energy: -2035.710342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.710342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.710342 (E_RNA) where: Base-Base interactions energy: -1296.999 where: short stacking energy: -669.100 Base-Backbone interact. energy: 1.363 local terms energy: -740.074256 where: bonds (distance) C4'-P energy: -161.585 bonds (distance) P-C4' energy: -161.144 flat angles C4'-P-C4' energy: -169.302 flat angles P-C4'-P energy: -95.769 tors. eta vs tors. theta energy: -152.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1533.782954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.782954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.782954 (E_RNA) where: Base-Base interactions energy: -911.056 where: short stacking energy: -500.482 Base-Backbone interact. energy: 3.248 local terms energy: -625.975382 where: bonds (distance) C4'-P energy: -149.829 bonds (distance) P-C4' energy: -161.960 flat angles C4'-P-C4' energy: -146.408 flat angles P-C4'-P energy: -91.824 tors. eta vs tors. theta energy: -75.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1463.654331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.654331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.654331 (E_RNA) where: Base-Base interactions energy: -865.469 where: short stacking energy: -443.575 Base-Backbone interact. energy: 10.302 local terms energy: -608.486820 where: bonds (distance) C4'-P energy: -160.026 bonds (distance) P-C4' energy: -148.556 flat angles C4'-P-C4' energy: -147.599 flat angles P-C4'-P energy: -66.173 tors. eta vs tors. theta energy: -86.133 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: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1482.846519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.846519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.846519 (E_RNA) where: Base-Base interactions energy: -872.537 where: short stacking energy: -453.876 Base-Backbone interact. energy: 1.858 local terms energy: -612.167176 where: bonds (distance) C4'-P energy: -152.313 bonds (distance) P-C4' energy: -160.344 flat angles C4'-P-C4' energy: -148.671 flat angles P-C4'-P energy: -94.248 tors. eta vs tors. theta energy: -56.591 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: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1161.269083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.269083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.269083 (E_RNA) where: Base-Base interactions energy: -608.641 where: short stacking energy: -341.209 Base-Backbone interact. energy: 4.832 local terms energy: -557.459895 where: bonds (distance) C4'-P energy: -165.031 bonds (distance) P-C4' energy: -151.796 flat angles C4'-P-C4' energy: -141.757 flat angles P-C4'-P energy: -79.174 tors. eta vs tors. theta energy: -19.702 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -1093.893477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.893477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.893477 (E_RNA) where: Base-Base interactions energy: -633.275 where: short stacking energy: -309.028 Base-Backbone interact. energy: 7.343 local terms energy: -467.961109 where: bonds (distance) C4'-P energy: -134.311 bonds (distance) P-C4' energy: -136.072 flat angles C4'-P-C4' energy: -134.481 flat angles P-C4'-P energy: -71.951 tors. eta vs tors. theta energy: 8.852 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: 9 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2529.523516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.523516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.523516 (E_RNA) where: Base-Base interactions energy: -1625.715 where: short stacking energy: -845.709 Base-Backbone interact. energy: -2.618 local terms energy: -901.190712 where: bonds (distance) C4'-P energy: -193.021 bonds (distance) P-C4' energy: -196.896 flat angles C4'-P-C4' energy: -191.906 flat angles P-C4'-P energy: -120.699 tors. eta vs tors. theta energy: -198.669 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: 2, replica: 4 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2436.025255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.025255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.025255 (E_RNA) where: Base-Base interactions energy: -1551.189 where: short stacking energy: -764.018 Base-Backbone interact. energy: -0.013 local terms energy: -884.823744 where: bonds (distance) C4'-P energy: -169.224 bonds (distance) P-C4' energy: -207.764 flat angles C4'-P-C4' energy: -201.060 flat angles P-C4'-P energy: -122.539 tors. eta vs tors. theta energy: -184.237 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: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -2516.096732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.096732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.096732 (E_RNA) where: Base-Base interactions energy: -1619.531 where: short stacking energy: -792.718 Base-Backbone interact. energy: -2.664 local terms energy: -893.901397 where: bonds (distance) C4'-P energy: -184.790 bonds (distance) P-C4' energy: -182.858 flat angles C4'-P-C4' energy: -193.247 flat angles P-C4'-P energy: -134.572 tors. eta vs tors. theta energy: -198.435 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: 6 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -2168.665385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.665385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.665385 (E_RNA) where: Base-Base interactions energy: -1351.927 where: short stacking energy: -668.436 Base-Backbone interact. energy: 0.028 local terms energy: -816.766160 where: bonds (distance) C4'-P energy: -161.241 bonds (distance) P-C4' energy: -179.175 flat angles C4'-P-C4' energy: -170.798 flat angles P-C4'-P energy: -124.750 tors. eta vs tors. theta energy: -180.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -2138.518551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.518551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.518551 (E_RNA) where: Base-Base interactions energy: -1354.911 where: short stacking energy: -684.511 Base-Backbone interact. energy: 0.219 local terms energy: -783.825880 where: bonds (distance) C4'-P energy: -174.605 bonds (distance) P-C4' energy: -169.315 flat angles C4'-P-C4' energy: -185.937 flat angles P-C4'-P energy: -111.140 tors. eta vs tors. theta energy: -142.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1633.182316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.182316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.182316 (E_RNA) where: Base-Base interactions energy: -933.906 where: short stacking energy: -512.033 Base-Backbone interact. energy: -0.941 local terms energy: -698.335917 where: bonds (distance) C4'-P energy: -162.535 bonds (distance) P-C4' energy: -185.838 flat angles C4'-P-C4' energy: -147.862 flat angles P-C4'-P energy: -107.616 tors. eta vs tors. theta energy: -94.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1700.196098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.196098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.196098 (E_RNA) where: Base-Base interactions energy: -1043.742 where: short stacking energy: -530.662 Base-Backbone interact. energy: -4.293 local terms energy: -652.161644 where: bonds (distance) C4'-P energy: -131.410 bonds (distance) P-C4' energy: -158.216 flat angles C4'-P-C4' energy: -170.464 flat angles P-C4'-P energy: -93.727 tors. eta vs tors. theta energy: -98.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1364.599234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.599234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.599234 (E_RNA) where: Base-Base interactions energy: -753.359 where: short stacking energy: -377.310 Base-Backbone interact. energy: -0.141 local terms energy: -611.099423 where: bonds (distance) C4'-P energy: -134.461 bonds (distance) P-C4' energy: -182.422 flat angles C4'-P-C4' energy: -146.310 flat angles P-C4'-P energy: -95.176 tors. eta vs tors. theta energy: -52.730 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: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1192.067896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.067896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.067896 (E_RNA) where: Base-Base interactions energy: -659.112 where: short stacking energy: -350.871 Base-Backbone interact. energy: 3.721 local terms energy: -536.676958 where: bonds (distance) C4'-P energy: -136.494 bonds (distance) P-C4' energy: -174.625 flat angles C4'-P-C4' energy: -131.637 flat angles P-C4'-P energy: -88.141 tors. eta vs tors. theta energy: -5.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -1039.796243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.796243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.796243 (E_RNA) where: Base-Base interactions energy: -542.079 where: short stacking energy: -298.506 Base-Backbone interact. energy: 0.577 local terms energy: -498.293972 where: bonds (distance) C4'-P energy: -145.228 bonds (distance) P-C4' energy: -139.049 flat angles C4'-P-C4' energy: -125.890 flat angles P-C4'-P energy: -93.214 tors. eta vs tors. theta energy: 5.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2573.905752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.905752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.905752 (E_RNA) where: Base-Base interactions energy: -1687.887 where: short stacking energy: -834.818 Base-Backbone interact. energy: -2.530 local terms energy: -883.488583 where: bonds (distance) C4'-P energy: -180.643 bonds (distance) P-C4' energy: -176.769 flat angles C4'-P-C4' energy: -192.292 flat angles P-C4'-P energy: -133.117 tors. eta vs tors. theta energy: -200.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2584.721561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.721561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.721561 (E_RNA) where: Base-Base interactions energy: -1729.074 where: short stacking energy: -786.528 Base-Backbone interact. energy: -0.057 local terms energy: -855.590845 where: bonds (distance) C4'-P energy: -174.902 bonds (distance) P-C4' energy: -187.522 flat angles C4'-P-C4' energy: -188.389 flat angles P-C4'-P energy: -125.168 tors. eta vs tors. theta energy: -179.609 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: 4 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -2333.031020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.031020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.031020 (E_RNA) where: Base-Base interactions energy: -1520.179 where: short stacking energy: -694.044 Base-Backbone interact. energy: -1.301 local terms energy: -811.550700 where: bonds (distance) C4'-P energy: -173.649 bonds (distance) P-C4' energy: -168.604 flat angles C4'-P-C4' energy: -180.074 flat angles P-C4'-P energy: -126.268 tors. eta vs tors. theta energy: -162.955 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: 6 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -2153.764666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.764666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.764666 (E_RNA) where: Base-Base interactions energy: -1372.130 where: short stacking energy: -708.691 Base-Backbone interact. energy: -1.061 local terms energy: -780.573860 where: bonds (distance) C4'-P energy: -162.394 bonds (distance) P-C4' energy: -161.688 flat angles C4'-P-C4' energy: -184.484 flat angles P-C4'-P energy: -110.472 tors. eta vs tors. theta energy: -161.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -2202.224399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.224399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.224399 (E_RNA) where: Base-Base interactions energy: -1451.347 where: short stacking energy: -646.748 Base-Backbone interact. energy: -3.679 local terms energy: -747.198875 where: bonds (distance) C4'-P energy: -164.473 bonds (distance) P-C4' energy: -163.562 flat angles C4'-P-C4' energy: -155.296 flat angles P-C4'-P energy: -122.149 tors. eta vs tors. theta energy: -141.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1611.495516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.495516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.495516 (E_RNA) where: Base-Base interactions energy: -921.432 where: short stacking energy: -528.075 Base-Backbone interact. energy: -0.961 local terms energy: -689.101743 where: bonds (distance) C4'-P energy: -166.330 bonds (distance) P-C4' energy: -159.589 flat angles C4'-P-C4' energy: -160.351 flat angles P-C4'-P energy: -106.838 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: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1783.696996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.696996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.696996 (E_RNA) where: Base-Base interactions energy: -1133.451 where: short stacking energy: -553.115 Base-Backbone interact. energy: 2.241 local terms energy: -652.486830 where: bonds (distance) C4'-P energy: -133.485 bonds (distance) P-C4' energy: -167.492 flat angles C4'-P-C4' energy: -158.837 flat angles P-C4'-P energy: -89.556 tors. eta vs tors. theta energy: -103.117 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: 3 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1343.885751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.885751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.885751 (E_RNA) where: Base-Base interactions energy: -804.140 where: short stacking energy: -402.448 Base-Backbone interact. energy: 6.043 local terms energy: -545.788394 where: bonds (distance) C4'-P energy: -124.031 bonds (distance) P-C4' energy: -175.807 flat angles C4'-P-C4' energy: -135.380 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -39.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -1217.119161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.119161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.119161 (E_RNA) where: Base-Base interactions energy: -677.475 where: short stacking energy: -357.557 Base-Backbone interact. energy: 0.854 local terms energy: -540.498796 where: bonds (distance) C4'-P energy: -128.311 bonds (distance) P-C4' energy: -154.526 flat angles C4'-P-C4' energy: -140.974 flat angles P-C4'-P energy: -81.823 tors. eta vs tors. theta energy: -34.864 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: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -1075.280427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.280427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.280427 (E_RNA) where: Base-Base interactions energy: -599.021 where: short stacking energy: -319.003 Base-Backbone interact. energy: 2.445 local terms energy: -478.704183 where: bonds (distance) C4'-P energy: -156.357 bonds (distance) P-C4' energy: -139.426 flat angles C4'-P-C4' energy: -119.400 flat angles P-C4'-P energy: -57.777 tors. eta vs tors. theta energy: -5.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2666.422413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.422413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.422413 (E_RNA) where: Base-Base interactions energy: -1766.700 where: short stacking energy: -864.616 Base-Backbone interact. energy: -4.507 local terms energy: -895.214840 where: bonds (distance) C4'-P energy: -168.800 bonds (distance) P-C4' energy: -189.477 flat angles C4'-P-C4' energy: -204.441 flat angles P-C4'-P energy: -123.508 tors. eta vs tors. theta energy: -208.989 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: 9 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2447.138607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.138607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.138607 (E_RNA) where: Base-Base interactions energy: -1585.942 where: short stacking energy: -775.358 Base-Backbone interact. energy: -4.355 local terms energy: -856.841449 where: bonds (distance) C4'-P energy: -176.443 bonds (distance) P-C4' energy: -174.399 flat angles C4'-P-C4' energy: -189.001 flat angles P-C4'-P energy: -125.435 tors. eta vs tors. theta energy: -191.564 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: 4 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -2263.773741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.773741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.773741 (E_RNA) where: Base-Base interactions energy: -1463.418 where: short stacking energy: -693.876 Base-Backbone interact. energy: -1.647 local terms energy: -798.708609 where: bonds (distance) C4'-P energy: -166.913 bonds (distance) P-C4' energy: -185.587 flat angles C4'-P-C4' energy: -189.346 flat angles P-C4'-P energy: -106.847 tors. eta vs tors. theta energy: -150.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -2146.916360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.916360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.916360 (E_RNA) where: Base-Base interactions energy: -1395.420 where: short stacking energy: -698.611 Base-Backbone interact. energy: 0.042 local terms energy: -751.538405 where: bonds (distance) C4'-P energy: -173.268 bonds (distance) P-C4' energy: -153.003 flat angles C4'-P-C4' energy: -197.004 flat angles P-C4'-P energy: -94.858 tors. eta vs tors. theta energy: -133.406 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: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -2336.436339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.436339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.436339 (E_RNA) where: Base-Base interactions energy: -1588.955 where: short stacking energy: -730.897 Base-Backbone interact. energy: -2.055 local terms energy: -745.426672 where: bonds (distance) C4'-P energy: -146.431 bonds (distance) P-C4' energy: -154.168 flat angles C4'-P-C4' energy: -193.153 flat angles P-C4'-P energy: -87.336 tors. eta vs tors. theta energy: -164.338 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: 24 Temperature: 1.150000 Total energy: -1623.613130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.613130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.613130 (E_RNA) where: Base-Base interactions energy: -936.571 where: short stacking energy: -537.793 Base-Backbone interact. energy: -0.462 local terms energy: -686.579850 where: bonds (distance) C4'-P energy: -160.870 bonds (distance) P-C4' energy: -168.997 flat angles C4'-P-C4' energy: -173.017 flat angles P-C4'-P energy: -88.020 tors. eta vs tors. theta energy: -95.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1865.462184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.462184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.462184 (E_RNA) where: Base-Base interactions energy: -1171.471 where: short stacking energy: -574.741 Base-Backbone interact. energy: -3.135 local terms energy: -690.856337 where: bonds (distance) C4'-P energy: -143.044 bonds (distance) P-C4' energy: -169.512 flat angles C4'-P-C4' energy: -157.714 flat angles P-C4'-P energy: -103.930 tors. eta vs tors. theta energy: -116.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1307.908087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.908087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.908087 (E_RNA) where: Base-Base interactions energy: -740.901 where: short stacking energy: -414.440 Base-Backbone interact. energy: -2.851 local terms energy: -564.155293 where: bonds (distance) C4'-P energy: -161.277 bonds (distance) P-C4' energy: -145.805 flat angles C4'-P-C4' energy: -136.174 flat angles P-C4'-P energy: -77.697 tors. eta vs tors. theta energy: -43.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1239.132883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.132883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.132883 (E_RNA) where: Base-Base interactions energy: -698.260 where: short stacking energy: -383.006 Base-Backbone interact. energy: 4.892 local terms energy: -545.765105 where: bonds (distance) C4'-P energy: -126.696 bonds (distance) P-C4' energy: -156.290 flat angles C4'-P-C4' energy: -156.232 flat angles P-C4'-P energy: -70.012 tors. eta vs tors. theta energy: -36.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1099.870645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.870645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.870645 (E_RNA) where: Base-Base interactions energy: -623.997 where: short stacking energy: -350.445 Base-Backbone interact. energy: 10.331 local terms energy: -486.204584 where: bonds (distance) C4'-P energy: -108.492 bonds (distance) P-C4' energy: -137.142 flat angles C4'-P-C4' energy: -148.215 flat angles P-C4'-P energy: -82.454 tors. eta vs tors. theta energy: -9.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2754.905843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.905843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.905843 (E_RNA) where: Base-Base interactions energy: -1824.613 where: short stacking energy: -895.378 Base-Backbone interact. energy: 1.713 local terms energy: -932.006630 where: bonds (distance) C4'-P energy: -184.056 bonds (distance) P-C4' energy: -201.994 flat angles C4'-P-C4' energy: -205.010 flat angles P-C4'-P energy: -119.780 tors. eta vs tors. theta energy: -221.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2501.353186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.353186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.353186 (E_RNA) where: Base-Base interactions energy: -1639.654 where: short stacking energy: -832.677 Base-Backbone interact. energy: -2.143 local terms energy: -859.556373 where: bonds (distance) C4'-P energy: -169.479 bonds (distance) P-C4' energy: -173.411 flat angles C4'-P-C4' energy: -197.860 flat angles P-C4'-P energy: -129.879 tors. eta vs tors. theta energy: -188.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2356.101084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.101084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.101084 (E_RNA) where: Base-Base interactions energy: -1530.378 where: short stacking energy: -735.286 Base-Backbone interact. energy: 4.333 local terms energy: -830.056082 where: bonds (distance) C4'-P energy: -168.566 bonds (distance) P-C4' energy: -173.544 flat angles C4'-P-C4' energy: -186.543 flat angles P-C4'-P energy: -124.630 tors. eta vs tors. theta energy: -176.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2495.530938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.530938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.530938 (E_RNA) where: Base-Base interactions energy: -1670.609 where: short stacking energy: -748.665 Base-Backbone interact. energy: 1.237 local terms energy: -826.158568 where: bonds (distance) C4'-P energy: -173.947 bonds (distance) P-C4' energy: -183.807 flat angles C4'-P-C4' energy: -185.953 flat angles P-C4'-P energy: -105.807 tors. eta vs tors. theta energy: -176.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -2140.771085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.771085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.771085 (E_RNA) where: Base-Base interactions energy: -1358.394 where: short stacking energy: -634.105 Base-Backbone interact. energy: 3.654 local terms energy: -786.030600 where: bonds (distance) C4'-P energy: -157.375 bonds (distance) P-C4' energy: -189.312 flat angles C4'-P-C4' energy: -194.278 flat angles P-C4'-P energy: -111.119 tors. eta vs tors. theta energy: -133.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -2089.592606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.592606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.592606 (E_RNA) where: Base-Base interactions energy: -1371.899 where: short stacking energy: -625.920 Base-Backbone interact. energy: 1.158 local terms energy: -718.851697 where: bonds (distance) C4'-P energy: -126.807 bonds (distance) P-C4' energy: -174.814 flat angles C4'-P-C4' energy: -169.552 flat angles P-C4'-P energy: -112.856 tors. eta vs tors. theta energy: -134.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1554.213812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.213812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.213812 (E_RNA) where: Base-Base interactions energy: -912.602 where: short stacking energy: -526.896 Base-Backbone interact. energy: -2.048 local terms energy: -639.563621 where: bonds (distance) C4'-P energy: -141.905 bonds (distance) P-C4' energy: -175.029 flat angles C4'-P-C4' energy: -158.558 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -92.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1287.542398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.542398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.542398 (E_RNA) where: Base-Base interactions energy: -723.140 where: short stacking energy: -395.801 Base-Backbone interact. energy: -0.889 local terms energy: -563.513561 where: bonds (distance) C4'-P energy: -145.088 bonds (distance) P-C4' energy: -154.654 flat angles C4'-P-C4' energy: -163.693 flat angles P-C4'-P energy: -58.618 tors. eta vs tors. theta energy: -41.461 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: 3 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1231.044316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.044316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.044316 (E_RNA) where: Base-Base interactions energy: -696.594 where: short stacking energy: -408.874 Base-Backbone interact. energy: -0.026 local terms energy: -534.424119 where: bonds (distance) C4'-P energy: -136.237 bonds (distance) P-C4' energy: -152.926 flat angles C4'-P-C4' energy: -143.579 flat angles P-C4'-P energy: -61.708 tors. eta vs tors. theta energy: -39.975 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -1055.811598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.811598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.811598 (E_RNA) where: Base-Base interactions energy: -572.321 where: short stacking energy: -336.688 Base-Backbone interact. energy: -0.979 local terms energy: -482.511565 where: bonds (distance) C4'-P energy: -133.097 bonds (distance) P-C4' energy: -141.906 flat angles C4'-P-C4' energy: -119.853 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -23.392 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: 1, replica: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2757.398483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.398483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.398483 (E_RNA) where: Base-Base interactions energy: -1808.887 where: short stacking energy: -891.324 Base-Backbone interact. energy: -3.993 local terms energy: -944.518757 where: bonds (distance) C4'-P energy: -194.588 bonds (distance) P-C4' energy: -182.019 flat angles C4'-P-C4' energy: -206.027 flat angles P-C4'-P energy: -132.530 tors. eta vs tors. theta energy: -229.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -2518.754664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.754664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.754664 (E_RNA) where: Base-Base interactions energy: -1616.763 where: short stacking energy: -804.615 Base-Backbone interact. energy: -6.697 local terms energy: -895.294596 where: bonds (distance) C4'-P energy: -182.977 bonds (distance) P-C4' energy: -172.989 flat angles C4'-P-C4' energy: -197.460 flat angles P-C4'-P energy: -138.049 tors. eta vs tors. theta energy: -203.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2561.887684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.887684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.887684 (E_RNA) where: Base-Base interactions energy: -1728.185 where: short stacking energy: -780.553 Base-Backbone interact. energy: 1.046 local terms energy: -834.748791 where: bonds (distance) C4'-P energy: -161.472 bonds (distance) P-C4' energy: -170.684 flat angles C4'-P-C4' energy: -194.603 flat angles P-C4'-P energy: -115.634 tors. eta vs tors. theta energy: -192.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -2212.274006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.274006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.274006 (E_RNA) where: Base-Base interactions energy: -1419.293 where: short stacking energy: -672.229 Base-Backbone interact. energy: -2.395 local terms energy: -790.585629 where: bonds (distance) C4'-P energy: -174.222 bonds (distance) P-C4' energy: -181.316 flat angles C4'-P-C4' energy: -186.050 flat angles P-C4'-P energy: -104.352 tors. eta vs tors. theta energy: -144.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -2237.423308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.423308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.423308 (E_RNA) where: Base-Base interactions energy: -1447.109 where: short stacking energy: -684.755 Base-Backbone interact. energy: -2.078 local terms energy: -788.236672 where: bonds (distance) C4'-P energy: -163.286 bonds (distance) P-C4' energy: -166.368 flat angles C4'-P-C4' energy: -189.085 flat angles P-C4'-P energy: -98.550 tors. eta vs tors. theta energy: -170.948 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: 6 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -2017.912700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.912700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.912700 (E_RNA) where: Base-Base interactions energy: -1299.510 where: short stacking energy: -619.128 Base-Backbone interact. energy: 4.081 local terms energy: -722.484168 where: bonds (distance) C4'-P energy: -168.865 bonds (distance) P-C4' energy: -147.327 flat angles C4'-P-C4' energy: -181.349 flat angles P-C4'-P energy: -104.285 tors. eta vs tors. theta energy: -120.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1484.350688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.350688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.350688 (E_RNA) where: Base-Base interactions energy: -820.872 where: short stacking energy: -467.057 Base-Backbone interact. energy: 3.453 local terms energy: -666.932024 where: bonds (distance) C4'-P energy: -143.919 bonds (distance) P-C4' energy: -163.542 flat angles C4'-P-C4' energy: -172.010 flat angles P-C4'-P energy: -112.946 tors. eta vs tors. theta energy: -74.516 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: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1353.883573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.883573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.883573 (E_RNA) where: Base-Base interactions energy: -784.743 where: short stacking energy: -431.753 Base-Backbone interact. energy: -0.629 local terms energy: -568.511417 where: bonds (distance) C4'-P energy: -149.252 bonds (distance) P-C4' energy: -144.605 flat angles C4'-P-C4' energy: -147.383 flat angles P-C4'-P energy: -73.613 tors. eta vs tors. theta energy: -53.657 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: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1159.156744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.156744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.156744 (E_RNA) where: Base-Base interactions energy: -621.362 where: short stacking energy: -343.392 Base-Backbone interact. energy: 3.285 local terms energy: -541.079818 where: bonds (distance) C4'-P energy: -147.477 bonds (distance) P-C4' energy: -151.180 flat angles C4'-P-C4' energy: -141.465 flat angles P-C4'-P energy: -103.515 tors. eta vs tors. theta energy: 2.558 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: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1041.615502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.615502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.615502 (E_RNA) where: Base-Base interactions energy: -514.630 where: short stacking energy: -269.996 Base-Backbone interact. energy: 0.062 local terms energy: -527.047375 where: bonds (distance) C4'-P energy: -152.434 bonds (distance) P-C4' energy: -165.864 flat angles C4'-P-C4' energy: -131.739 flat angles P-C4'-P energy: -91.760 tors. eta vs tors. theta energy: 14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2791.684999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.684999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.684999 (E_RNA) where: Base-Base interactions energy: -1885.914 where: short stacking energy: -930.508 Base-Backbone interact. energy: -0.959 local terms energy: -904.812106 where: bonds (distance) C4'-P energy: -176.844 bonds (distance) P-C4' energy: -167.715 flat angles C4'-P-C4' energy: -208.540 flat angles P-C4'-P energy: -125.381 tors. eta vs tors. theta energy: -226.332 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: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2705.590543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.590543 (E_RNA) where: Base-Base interactions energy: -1822.422 where: short stacking energy: -852.784 Base-Backbone interact. energy: -0.484 local terms energy: -882.684047 where: bonds (distance) C4'-P energy: -167.016 bonds (distance) P-C4' energy: -168.266 flat angles C4'-P-C4' energy: -206.999 flat angles P-C4'-P energy: -131.444 tors. eta vs tors. theta energy: -208.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2460.923565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.923565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.923565 (E_RNA) where: Base-Base interactions energy: -1604.850 where: short stacking energy: -797.073 Base-Backbone interact. energy: 3.454 local terms energy: -859.528219 where: bonds (distance) C4'-P energy: -170.595 bonds (distance) P-C4' energy: -173.464 flat angles C4'-P-C4' energy: -187.328 flat angles P-C4'-P energy: -132.628 tors. eta vs tors. theta energy: -195.514 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: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -2272.417161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.417161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.417161 (E_RNA) where: Base-Base interactions energy: -1482.222 where: short stacking energy: -722.310 Base-Backbone interact. energy: 0.448 local terms energy: -790.643680 where: bonds (distance) C4'-P energy: -157.405 bonds (distance) P-C4' energy: -169.931 flat angles C4'-P-C4' energy: -199.779 flat angles P-C4'-P energy: -107.771 tors. eta vs tors. theta energy: -155.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -2221.434554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.434554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.434554 (E_RNA) where: Base-Base interactions energy: -1449.455 where: short stacking energy: -689.372 Base-Backbone interact. energy: 1.645 local terms energy: -773.624883 where: bonds (distance) C4'-P energy: -168.764 bonds (distance) P-C4' energy: -152.721 flat angles C4'-P-C4' energy: -180.148 flat angles P-C4'-P energy: -120.080 tors. eta vs tors. theta energy: -151.913 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: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1975.187666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.187666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.187666 (E_RNA) where: Base-Base interactions energy: -1296.961 where: short stacking energy: -597.486 Base-Backbone interact. energy: 4.144 local terms energy: -682.370971 where: bonds (distance) C4'-P energy: -161.993 bonds (distance) P-C4' energy: -153.326 flat angles C4'-P-C4' energy: -152.039 flat angles P-C4'-P energy: -100.313 tors. eta vs tors. theta energy: -114.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1589.259900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.259900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.259900 (E_RNA) where: Base-Base interactions energy: -925.722 where: short stacking energy: -480.790 Base-Backbone interact. energy: -2.691 local terms energy: -660.847478 where: bonds (distance) C4'-P energy: -152.495 bonds (distance) P-C4' energy: -147.926 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -107.003 tors. eta vs tors. theta energy: -101.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1360.934343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.934343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.934343 (E_RNA) where: Base-Base interactions energy: -731.056 where: short stacking energy: -419.863 Base-Backbone interact. energy: 1.137 local terms energy: -631.015430 where: bonds (distance) C4'-P energy: -145.684 bonds (distance) P-C4' energy: -166.388 flat angles C4'-P-C4' energy: -152.808 flat angles P-C4'-P energy: -101.128 tors. eta vs tors. theta energy: -65.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -1214.487876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.487876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.487876 (E_RNA) where: Base-Base interactions energy: -659.577 where: short stacking energy: -378.188 Base-Backbone interact. energy: 2.252 local terms energy: -557.163293 where: bonds (distance) C4'-P energy: -167.550 bonds (distance) P-C4' energy: -144.369 flat angles C4'-P-C4' energy: -122.890 flat angles P-C4'-P energy: -81.274 tors. eta vs tors. theta energy: -41.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -1115.781627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.781627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.781627 (E_RNA) where: Base-Base interactions energy: -611.060 where: short stacking energy: -318.468 Base-Backbone interact. energy: 1.547 local terms energy: -506.268657 where: bonds (distance) C4'-P energy: -133.922 bonds (distance) P-C4' energy: -154.691 flat angles C4'-P-C4' energy: -136.171 flat angles P-C4'-P energy: -76.627 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2798.678731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.678731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.678731 (E_RNA) where: Base-Base interactions energy: -1850.524 where: short stacking energy: -899.353 Base-Backbone interact. energy: -0.098 local terms energy: -948.056730 where: bonds (distance) C4'-P energy: -199.961 bonds (distance) P-C4' energy: -186.744 flat angles C4'-P-C4' energy: -209.413 flat angles P-C4'-P energy: -128.237 tors. eta vs tors. theta energy: -223.702 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: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2670.141029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.141029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.141029 (E_RNA) where: Base-Base interactions energy: -1820.258 where: short stacking energy: -811.086 Base-Backbone interact. energy: -4.309 local terms energy: -845.574094 where: bonds (distance) C4'-P energy: -179.087 bonds (distance) P-C4' energy: -173.071 flat angles C4'-P-C4' energy: -192.819 flat angles P-C4'-P energy: -127.742 tors. eta vs tors. theta energy: -172.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2436.752006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.752006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.752006 (E_RNA) where: Base-Base interactions energy: -1621.262 where: short stacking energy: -764.802 Base-Backbone interact. energy: -1.938 local terms energy: -813.552169 where: bonds (distance) C4'-P energy: -176.189 bonds (distance) P-C4' energy: -152.460 flat angles C4'-P-C4' energy: -186.867 flat angles P-C4'-P energy: -122.249 tors. eta vs tors. theta energy: -175.786 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: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -2213.255023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.255023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.255023 (E_RNA) where: Base-Base interactions energy: -1435.303 where: short stacking energy: -672.974 Base-Backbone interact. energy: -0.093 local terms energy: -777.859315 where: bonds (distance) C4'-P energy: -177.363 bonds (distance) P-C4' energy: -174.656 flat angles C4'-P-C4' energy: -178.096 flat angles P-C4'-P energy: -107.186 tors. eta vs tors. theta energy: -140.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -2234.675064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.675064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.675064 (E_RNA) where: Base-Base interactions energy: -1457.773 where: short stacking energy: -692.243 Base-Backbone interact. energy: -0.766 local terms energy: -776.135573 where: bonds (distance) C4'-P energy: -137.675 bonds (distance) P-C4' energy: -163.755 flat angles C4'-P-C4' energy: -187.407 flat angles P-C4'-P energy: -118.162 tors. eta vs tors. theta energy: -169.136 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: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1907.562264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.562264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.562264 (E_RNA) where: Base-Base interactions energy: -1177.941 where: short stacking energy: -571.318 Base-Backbone interact. energy: -1.836 local terms energy: -727.785235 where: bonds (distance) C4'-P energy: -165.214 bonds (distance) P-C4' energy: -167.360 flat angles C4'-P-C4' energy: -163.360 flat angles P-C4'-P energy: -127.448 tors. eta vs tors. theta energy: -104.404 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: 28 Temperature: 1.200000 Total energy: -1629.873340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.873340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.873340 (E_RNA) where: Base-Base interactions energy: -969.254 where: short stacking energy: -481.146 Base-Backbone interact. energy: -0.987 local terms energy: -659.631658 where: bonds (distance) C4'-P energy: -145.253 bonds (distance) P-C4' energy: -173.534 flat angles C4'-P-C4' energy: -155.571 flat angles P-C4'-P energy: -101.371 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1379.911300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.911300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.911300 (E_RNA) where: Base-Base interactions energy: -799.268 where: short stacking energy: -432.584 Base-Backbone interact. energy: -1.393 local terms energy: -579.250211 where: bonds (distance) C4'-P energy: -163.575 bonds (distance) P-C4' energy: -159.927 flat angles C4'-P-C4' energy: -140.335 flat angles P-C4'-P energy: -79.011 tors. eta vs tors. theta energy: -36.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1306.803888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.803888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.803888 (E_RNA) where: Base-Base interactions energy: -750.500 where: short stacking energy: -384.974 Base-Backbone interact. energy: -2.268 local terms energy: -554.035759 where: bonds (distance) C4'-P energy: -145.900 bonds (distance) P-C4' energy: -173.773 flat angles C4'-P-C4' energy: -129.020 flat angles P-C4'-P energy: -71.440 tors. eta vs tors. theta energy: -33.902 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: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -1190.778412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.778412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.778412 (E_RNA) where: Base-Base interactions energy: -678.223 where: short stacking energy: -347.431 Base-Backbone interact. energy: 2.110 local terms energy: -514.665589 where: bonds (distance) C4'-P energy: -153.631 bonds (distance) P-C4' energy: -146.538 flat angles C4'-P-C4' energy: -124.225 flat angles P-C4'-P energy: -72.484 tors. eta vs tors. theta energy: -17.788 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2818.260008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.260008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.260008 (E_RNA) where: Base-Base interactions energy: -1877.739 where: short stacking energy: -878.312 Base-Backbone interact. energy: -2.530 local terms energy: -937.991249 where: bonds (distance) C4'-P energy: -170.036 bonds (distance) P-C4' energy: -184.332 flat angles C4'-P-C4' energy: -208.944 flat angles P-C4'-P energy: -143.413 tors. eta vs tors. theta energy: -231.266 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: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2719.805824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.805824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.805824 (E_RNA) where: Base-Base interactions energy: -1820.511 where: short stacking energy: -846.058 Base-Backbone interact. energy: 2.573 local terms energy: -901.867942 where: bonds (distance) C4'-P energy: -177.916 bonds (distance) P-C4' energy: -171.513 flat angles C4'-P-C4' energy: -199.958 flat angles P-C4'-P energy: -140.620 tors. eta vs tors. theta energy: -211.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2413.093495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.093495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.093495 (E_RNA) where: Base-Base interactions energy: -1602.851 where: short stacking energy: -765.290 Base-Backbone interact. energy: -0.910 local terms energy: -809.333289 where: bonds (distance) C4'-P energy: -164.282 bonds (distance) P-C4' energy: -165.982 flat angles C4'-P-C4' energy: -192.127 flat angles P-C4'-P energy: -118.141 tors. eta vs tors. theta energy: -168.801 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: 7 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -2448.031537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.031537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.031537 (E_RNA) where: Base-Base interactions energy: -1659.705 where: short stacking energy: -746.306 Base-Backbone interact. energy: -4.465 local terms energy: -783.861489 where: bonds (distance) C4'-P energy: -167.505 bonds (distance) P-C4' energy: -174.161 flat angles C4'-P-C4' energy: -166.683 flat angles P-C4'-P energy: -104.955 tors. eta vs tors. theta energy: -170.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -2155.050113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.050113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.050113 (E_RNA) where: Base-Base interactions energy: -1422.854 where: short stacking energy: -657.363 Base-Backbone interact. energy: -2.874 local terms energy: -729.322051 where: bonds (distance) C4'-P energy: -133.656 bonds (distance) P-C4' energy: -180.344 flat angles C4'-P-C4' energy: -189.311 flat angles P-C4'-P energy: -105.455 tors. eta vs tors. theta energy: -120.556 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: 29 Temperature: 1.150000 Total energy: -1996.687163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.687163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.687163 (E_RNA) where: Base-Base interactions energy: -1264.025 where: short stacking energy: -583.704 Base-Backbone interact. energy: 0.031 local terms energy: -732.693649 where: bonds (distance) C4'-P energy: -160.354 bonds (distance) P-C4' energy: -163.860 flat angles C4'-P-C4' energy: -167.891 flat angles P-C4'-P energy: -107.828 tors. eta vs tors. theta energy: -132.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1741.155505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.155505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.155505 (E_RNA) where: Base-Base interactions energy: -1081.746 where: short stacking energy: -563.394 Base-Backbone interact. energy: 5.033 local terms energy: -664.442038 where: bonds (distance) C4'-P energy: -159.221 bonds (distance) P-C4' energy: -157.997 flat angles C4'-P-C4' energy: -167.049 flat angles P-C4'-P energy: -86.573 tors. eta vs tors. theta energy: -93.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1464.686142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.686142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.686142 (E_RNA) where: Base-Base interactions energy: -859.069 where: short stacking energy: -451.633 Base-Backbone interact. energy: 1.795 local terms energy: -607.411627 where: bonds (distance) C4'-P energy: -167.608 bonds (distance) P-C4' energy: -146.855 flat angles C4'-P-C4' energy: -137.684 flat angles P-C4'-P energy: -100.241 tors. eta vs tors. theta energy: -55.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1219.151511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.151511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.151511 (E_RNA) where: Base-Base interactions energy: -687.492 where: short stacking energy: -379.396 Base-Backbone interact. energy: 2.916 local terms energy: -534.574810 where: bonds (distance) C4'-P energy: -148.329 bonds (distance) P-C4' energy: -153.432 flat angles C4'-P-C4' energy: -124.665 flat angles P-C4'-P energy: -84.136 tors. eta vs tors. theta energy: -24.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -1257.585317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.585317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.585317 (E_RNA) where: Base-Base interactions energy: -731.097 where: short stacking energy: -357.995 Base-Backbone interact. energy: -6.086 local terms energy: -520.402531 where: bonds (distance) C4'-P energy: -136.078 bonds (distance) P-C4' energy: -143.946 flat angles C4'-P-C4' energy: -141.873 flat angles P-C4'-P energy: -71.011 tors. eta vs tors. theta energy: -27.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2812.804414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.804414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.804414 (E_RNA) where: Base-Base interactions energy: -1869.344 where: short stacking energy: -882.158 Base-Backbone interact. energy: -2.277 local terms energy: -941.182586 where: bonds (distance) C4'-P energy: -175.906 bonds (distance) P-C4' energy: -194.103 flat angles C4'-P-C4' energy: -204.752 flat angles P-C4'-P energy: -137.403 tors. eta vs tors. theta energy: -229.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2764.411775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.411775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.411775 (E_RNA) where: Base-Base interactions energy: -1873.476 where: short stacking energy: -851.780 Base-Backbone interact. energy: -2.544 local terms energy: -888.391766 where: bonds (distance) C4'-P energy: -180.209 bonds (distance) P-C4' energy: -180.761 flat angles C4'-P-C4' energy: -188.153 flat angles P-C4'-P energy: -126.685 tors. eta vs tors. theta energy: -212.584 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: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2542.890097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.890097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.890097 (E_RNA) where: Base-Base interactions energy: -1709.666 where: short stacking energy: -775.237 Base-Backbone interact. energy: -4.938 local terms energy: -828.286301 where: bonds (distance) C4'-P energy: -180.237 bonds (distance) P-C4' energy: -179.763 flat angles C4'-P-C4' energy: -193.716 flat angles P-C4'-P energy: -113.622 tors. eta vs tors. theta energy: -160.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -2285.151908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.151908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.151908 (E_RNA) where: Base-Base interactions energy: -1527.705 where: short stacking energy: -723.642 Base-Backbone interact. energy: 1.499 local terms energy: -758.945239 where: bonds (distance) C4'-P energy: -161.692 bonds (distance) P-C4' energy: -150.545 flat angles C4'-P-C4' energy: -164.276 flat angles P-C4'-P energy: -122.512 tors. eta vs tors. theta energy: -159.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -2161.199176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.199176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.199176 (E_RNA) where: Base-Base interactions energy: -1395.922 where: short stacking energy: -636.547 Base-Backbone interact. energy: 1.641 local terms energy: -766.917798 where: bonds (distance) C4'-P energy: -152.251 bonds (distance) P-C4' energy: -175.785 flat angles C4'-P-C4' energy: -187.466 flat angles P-C4'-P energy: -103.411 tors. eta vs tors. theta energy: -148.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -2018.132882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.132882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.132882 (E_RNA) where: Base-Base interactions energy: -1301.279 where: short stacking energy: -607.869 Base-Backbone interact. energy: -2.743 local terms energy: -714.110425 where: bonds (distance) C4'-P energy: -154.313 bonds (distance) P-C4' energy: -169.445 flat angles C4'-P-C4' energy: -152.469 flat angles P-C4'-P energy: -110.811 tors. eta vs tors. theta energy: -127.073 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: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1710.939661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.939661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.939661 (E_RNA) where: Base-Base interactions energy: -1006.403 where: short stacking energy: -475.674 Base-Backbone interact. energy: 0.870 local terms energy: -705.406538 where: bonds (distance) C4'-P energy: -165.737 bonds (distance) P-C4' energy: -178.830 flat angles C4'-P-C4' energy: -164.032 flat angles P-C4'-P energy: -99.818 tors. eta vs tors. theta energy: -96.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1405.170776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.170776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.170776 (E_RNA) where: Base-Base interactions energy: -778.868 where: short stacking energy: -446.946 Base-Backbone interact. energy: -0.719 local terms energy: -625.583661 where: bonds (distance) C4'-P energy: -151.768 bonds (distance) P-C4' energy: -153.208 flat angles C4'-P-C4' energy: -142.232 flat angles P-C4'-P energy: -107.007 tors. eta vs tors. theta energy: -71.370 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: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1374.078770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.078770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.078770 (E_RNA) where: Base-Base interactions energy: -827.920 where: short stacking energy: -440.054 Base-Backbone interact. energy: 6.223 local terms energy: -552.382060 where: bonds (distance) C4'-P energy: -164.701 bonds (distance) P-C4' energy: -132.328 flat angles C4'-P-C4' energy: -141.391 flat angles P-C4'-P energy: -76.487 tors. eta vs tors. theta energy: -37.474 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: 1 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -1069.728858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.728858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.728858 (E_RNA) where: Base-Base interactions energy: -577.983 where: short stacking energy: -315.975 Base-Backbone interact. energy: -1.003 local terms energy: -490.743183 where: bonds (distance) C4'-P energy: -147.775 bonds (distance) P-C4' energy: -143.389 flat angles C4'-P-C4' energy: -124.956 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2871.535870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.535870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.535870 (E_RNA) where: Base-Base interactions energy: -1915.754 where: short stacking energy: -902.313 Base-Backbone interact. energy: -1.776 local terms energy: -954.005611 where: bonds (distance) C4'-P energy: -182.852 bonds (distance) P-C4' energy: -195.417 flat angles C4'-P-C4' energy: -207.654 flat angles P-C4'-P energy: -143.348 tors. eta vs tors. theta energy: -224.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2762.495005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.495005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.495005 (E_RNA) where: Base-Base interactions energy: -1872.431 where: short stacking energy: -880.080 Base-Backbone interact. energy: -2.287 local terms energy: -887.776317 where: bonds (distance) C4'-P energy: -166.030 bonds (distance) P-C4' energy: -180.533 flat angles C4'-P-C4' energy: -203.525 flat angles P-C4'-P energy: -124.968 tors. eta vs tors. theta energy: -212.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2596.162119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.162119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.162119 (E_RNA) where: Base-Base interactions energy: -1784.635 where: short stacking energy: -833.662 Base-Backbone interact. energy: -0.300 local terms energy: -811.226817 where: bonds (distance) C4'-P energy: -168.454 bonds (distance) P-C4' energy: -154.795 flat angles C4'-P-C4' energy: -188.408 flat angles P-C4'-P energy: -118.980 tors. eta vs tors. theta energy: -180.590 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: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -2309.931647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.931647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.931647 (E_RNA) where: Base-Base interactions energy: -1517.912 where: short stacking energy: -714.512 Base-Backbone interact. energy: -4.085 local terms energy: -787.934670 where: bonds (distance) C4'-P energy: -156.543 bonds (distance) P-C4' energy: -186.498 flat angles C4'-P-C4' energy: -182.321 flat angles P-C4'-P energy: -99.525 tors. eta vs tors. theta energy: -163.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -2067.590727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.590727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.590727 (E_RNA) where: Base-Base interactions energy: -1344.313 where: short stacking energy: -615.779 Base-Backbone interact. energy: 2.217 local terms energy: -725.495094 where: bonds (distance) C4'-P energy: -147.171 bonds (distance) P-C4' energy: -178.178 flat angles C4'-P-C4' energy: -180.628 flat angles P-C4'-P energy: -89.563 tors. eta vs tors. theta energy: -129.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -2069.487314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.487314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.487314 (E_RNA) where: Base-Base interactions energy: -1326.581 where: short stacking energy: -624.460 Base-Backbone interact. energy: -0.278 local terms energy: -742.627909 where: bonds (distance) C4'-P energy: -164.468 bonds (distance) P-C4' energy: -173.683 flat angles C4'-P-C4' energy: -168.111 flat angles P-C4'-P energy: -120.044 tors. eta vs tors. theta energy: -116.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1751.740448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.740448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.740448 (E_RNA) where: Base-Base interactions energy: -1092.736 where: short stacking energy: -562.230 Base-Backbone interact. energy: -1.674 local terms energy: -657.330133 where: bonds (distance) C4'-P energy: -161.608 bonds (distance) P-C4' energy: -135.557 flat angles C4'-P-C4' energy: -171.144 flat angles P-C4'-P energy: -89.182 tors. eta vs tors. theta energy: -99.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1455.531855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.531855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.531855 (E_RNA) where: Base-Base interactions energy: -861.537 where: short stacking energy: -422.591 Base-Backbone interact. energy: -0.843 local terms energy: -593.152182 where: bonds (distance) C4'-P energy: -149.606 bonds (distance) P-C4' energy: -159.576 flat angles C4'-P-C4' energy: -158.396 flat angles P-C4'-P energy: -89.470 tors. eta vs tors. theta energy: -36.104 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: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1185.473490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.473490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.473490 (E_RNA) where: Base-Base interactions energy: -652.791 where: short stacking energy: -339.810 Base-Backbone interact. energy: 6.944 local terms energy: -539.626711 where: bonds (distance) C4'-P energy: -132.212 bonds (distance) P-C4' energy: -136.192 flat angles C4'-P-C4' energy: -128.011 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -35.394 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: 1 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -1034.310715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.310715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.310715 (E_RNA) where: Base-Base interactions energy: -568.849 where: short stacking energy: -331.356 Base-Backbone interact. energy: 5.745 local terms energy: -471.207132 where: bonds (distance) C4'-P energy: -122.959 bonds (distance) P-C4' energy: -155.715 flat angles C4'-P-C4' energy: -113.832 flat angles P-C4'-P energy: -77.622 tors. eta vs tors. theta energy: -1.079 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: 5 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2873.490505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.490505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.490505 (E_RNA) where: Base-Base interactions energy: -1941.367 where: short stacking energy: -891.668 Base-Backbone interact. energy: -2.952 local terms energy: -929.171412 where: bonds (distance) C4'-P energy: -172.979 bonds (distance) P-C4' energy: -180.232 flat angles C4'-P-C4' energy: -206.581 flat angles P-C4'-P energy: -145.356 tors. eta vs tors. theta energy: -224.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2830.891028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.891028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.891028 (E_RNA) where: Base-Base interactions energy: -1913.639 where: short stacking energy: -886.748 Base-Backbone interact. energy: 0.506 local terms energy: -917.757699 where: bonds (distance) C4'-P energy: -180.002 bonds (distance) P-C4' energy: -175.243 flat angles C4'-P-C4' energy: -198.663 flat angles P-C4'-P energy: -138.433 tors. eta vs tors. theta energy: -225.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2658.442937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.442937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.442937 (E_RNA) where: Base-Base interactions energy: -1777.133 where: short stacking energy: -823.795 Base-Backbone interact. energy: -1.155 local terms energy: -880.154787 where: bonds (distance) C4'-P energy: -165.947 bonds (distance) P-C4' energy: -181.702 flat angles C4'-P-C4' energy: -206.189 flat angles P-C4'-P energy: -117.277 tors. eta vs tors. theta energy: -209.040 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: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -2337.552047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.552047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.552047 (E_RNA) where: Base-Base interactions energy: -1544.007 where: short stacking energy: -704.328 Base-Backbone interact. energy: 5.935 local terms energy: -799.480889 where: bonds (distance) C4'-P energy: -151.664 bonds (distance) P-C4' energy: -175.036 flat angles C4'-P-C4' energy: -192.857 flat angles P-C4'-P energy: -116.251 tors. eta vs tors. theta energy: -163.673 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: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -2143.106484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.106484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.106484 (E_RNA) where: Base-Base interactions energy: -1393.299 where: short stacking energy: -656.974 Base-Backbone interact. energy: -2.963 local terms energy: -746.844718 where: bonds (distance) C4'-P energy: -164.207 bonds (distance) P-C4' energy: -175.790 flat angles C4'-P-C4' energy: -179.449 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -130.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -2113.721495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.721495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.721495 (E_RNA) where: Base-Base interactions energy: -1387.862 where: short stacking energy: -648.156 Base-Backbone interact. energy: -3.104 local terms energy: -722.755531 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -153.219 flat angles C4'-P-C4' energy: -153.393 flat angles P-C4'-P energy: -116.841 tors. eta vs tors. theta energy: -148.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1777.100225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.100225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.100225 (E_RNA) where: Base-Base interactions energy: -1123.801 where: short stacking energy: -528.819 Base-Backbone interact. energy: -4.128 local terms energy: -649.170885 where: bonds (distance) C4'-P energy: -158.826 bonds (distance) P-C4' energy: -147.958 flat angles C4'-P-C4' energy: -166.081 flat angles P-C4'-P energy: -90.427 tors. eta vs tors. theta energy: -85.878 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: 10 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1534.821668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.821668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.821668 (E_RNA) where: Base-Base interactions energy: -929.705 where: short stacking energy: -453.528 Base-Backbone interact. energy: 5.369 local terms energy: -610.485415 where: bonds (distance) C4'-P energy: -143.315 bonds (distance) P-C4' energy: -156.253 flat angles C4'-P-C4' energy: -174.431 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -48.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1319.738054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.738054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.738054 (E_RNA) where: Base-Base interactions energy: -749.639 where: short stacking energy: -405.935 Base-Backbone interact. energy: -0.726 local terms energy: -569.372638 where: bonds (distance) C4'-P energy: -141.082 bonds (distance) P-C4' energy: -155.020 flat angles C4'-P-C4' energy: -147.313 flat angles P-C4'-P energy: -74.557 tors. eta vs tors. theta energy: -51.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -993.866757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.866757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.866757 (E_RNA) where: Base-Base interactions energy: -513.019 where: short stacking energy: -286.340 Base-Backbone interact. energy: 7.967 local terms energy: -488.814872 where: bonds (distance) C4'-P energy: -133.633 bonds (distance) P-C4' energy: -149.278 flat angles C4'-P-C4' energy: -139.613 flat angles P-C4'-P energy: -67.286 tors. eta vs tors. theta energy: 0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2878.738134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.738134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.738134 (E_RNA) where: Base-Base interactions energy: -1937.808 where: short stacking energy: -877.856 Base-Backbone interact. energy: -2.991 local terms energy: -937.939921 where: bonds (distance) C4'-P energy: -170.349 bonds (distance) P-C4' energy: -195.110 flat angles C4'-P-C4' energy: -209.810 flat angles P-C4'-P energy: -143.566 tors. eta vs tors. theta energy: -219.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2802.132044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.132044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.132044 (E_RNA) where: Base-Base interactions energy: -1908.444 where: short stacking energy: -863.635 Base-Backbone interact. energy: 2.708 local terms energy: -896.396155 where: bonds (distance) C4'-P energy: -193.672 bonds (distance) P-C4' energy: -159.549 flat angles C4'-P-C4' energy: -200.702 flat angles P-C4'-P energy: -129.299 tors. eta vs tors. theta energy: -213.175 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: 3, replica: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2682.815565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.815565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.815565 (E_RNA) where: Base-Base interactions energy: -1811.280 where: short stacking energy: -800.937 Base-Backbone interact. energy: -1.070 local terms energy: -870.464855 where: bonds (distance) C4'-P energy: -172.800 bonds (distance) P-C4' energy: -190.975 flat angles C4'-P-C4' energy: -181.811 flat angles P-C4'-P energy: -123.683 tors. eta vs tors. theta energy: -201.196 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: 4, replica: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2391.033035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.033035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.033035 (E_RNA) where: Base-Base interactions energy: -1596.509 where: short stacking energy: -728.001 Base-Backbone interact. energy: 2.215 local terms energy: -796.738982 where: bonds (distance) C4'-P energy: -159.072 bonds (distance) P-C4' energy: -177.240 flat angles C4'-P-C4' energy: -183.568 flat angles P-C4'-P energy: -102.686 tors. eta vs tors. theta energy: -174.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -2123.370023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.370023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.370023 (E_RNA) where: Base-Base interactions energy: -1363.886 where: short stacking energy: -665.864 Base-Backbone interact. energy: -3.449 local terms energy: -756.035256 where: bonds (distance) C4'-P energy: -154.508 bonds (distance) P-C4' energy: -167.848 flat angles C4'-P-C4' energy: -186.283 flat angles P-C4'-P energy: -114.227 tors. eta vs tors. theta energy: -133.170 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -2116.555099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.555099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.555099 (E_RNA) where: Base-Base interactions energy: -1373.632 where: short stacking energy: -630.736 Base-Backbone interact. energy: -1.862 local terms energy: -741.061747 where: bonds (distance) C4'-P energy: -158.293 bonds (distance) P-C4' energy: -168.225 flat angles C4'-P-C4' energy: -170.709 flat angles P-C4'-P energy: -98.352 tors. eta vs tors. theta energy: -145.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1790.393922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.393922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.393922 (E_RNA) where: Base-Base interactions energy: -1135.981 where: short stacking energy: -558.662 Base-Backbone interact. energy: -2.151 local terms energy: -652.262295 where: bonds (distance) C4'-P energy: -153.882 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -157.696 flat angles P-C4'-P energy: -109.351 tors. eta vs tors. theta energy: -83.478 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: 10 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -1672.245481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.245481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.245481 (E_RNA) where: Base-Base interactions energy: -1056.418 where: short stacking energy: -533.876 Base-Backbone interact. energy: 0.545 local terms energy: -616.372785 where: bonds (distance) C4'-P energy: -152.568 bonds (distance) P-C4' energy: -148.778 flat angles C4'-P-C4' energy: -137.586 flat angles P-C4'-P energy: -83.579 tors. eta vs tors. theta energy: -93.862 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: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1342.413760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.413760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.413760 (E_RNA) where: Base-Base interactions energy: -760.123 where: short stacking energy: -388.791 Base-Backbone interact. energy: 2.954 local terms energy: -585.244905 where: bonds (distance) C4'-P energy: -162.418 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -141.801 flat angles P-C4'-P energy: -90.325 tors. eta vs tors. theta energy: -46.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -1039.130991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.130991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.130991 (E_RNA) where: Base-Base interactions energy: -577.419 where: short stacking energy: -295.718 Base-Backbone interact. energy: -0.746 local terms energy: -460.965788 where: bonds (distance) C4'-P energy: -119.770 bonds (distance) P-C4' energy: -141.997 flat angles C4'-P-C4' energy: -134.240 flat angles P-C4'-P energy: -69.078 tors. eta vs tors. theta energy: 4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2935.026264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.026264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.026264 (E_RNA) where: Base-Base interactions energy: -2001.952 where: short stacking energy: -906.286 Base-Backbone interact. energy: -2.905 local terms energy: -930.169378 where: bonds (distance) C4'-P energy: -187.672 bonds (distance) P-C4' energy: -171.460 flat angles C4'-P-C4' energy: -199.982 flat angles P-C4'-P energy: -136.690 tors. eta vs tors. theta energy: -234.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2760.069879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.069879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.069879 (E_RNA) where: Base-Base interactions energy: -1882.773 where: short stacking energy: -860.160 Base-Backbone interact. energy: 6.427 local terms energy: -883.724511 where: bonds (distance) C4'-P energy: -180.452 bonds (distance) P-C4' energy: -171.614 flat angles C4'-P-C4' energy: -193.231 flat angles P-C4'-P energy: -130.206 tors. eta vs tors. theta energy: -208.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2707.589445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.589445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.589445 (E_RNA) where: Base-Base interactions energy: -1832.162 where: short stacking energy: -833.574 Base-Backbone interact. energy: -3.847 local terms energy: -871.580285 where: bonds (distance) C4'-P energy: -150.398 bonds (distance) P-C4' energy: -186.426 flat angles C4'-P-C4' energy: -192.496 flat angles P-C4'-P energy: -124.206 tors. eta vs tors. theta energy: -218.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2325.912089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.912089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.912089 (E_RNA) where: Base-Base interactions energy: -1525.233 where: short stacking energy: -717.482 Base-Backbone interact. energy: -2.687 local terms energy: -797.992866 where: bonds (distance) C4'-P energy: -178.239 bonds (distance) P-C4' energy: -162.476 flat angles C4'-P-C4' energy: -195.950 flat angles P-C4'-P energy: -106.263 tors. eta vs tors. theta energy: -155.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2166.890235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.890235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.890235 (E_RNA) where: Base-Base interactions energy: -1394.466 where: short stacking energy: -675.263 Base-Backbone interact. energy: -1.509 local terms energy: -770.915457 where: bonds (distance) C4'-P energy: -169.328 bonds (distance) P-C4' energy: -184.443 flat angles C4'-P-C4' energy: -177.836 flat angles P-C4'-P energy: -99.371 tors. eta vs tors. theta energy: -139.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -2112.450874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.450874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.450874 (E_RNA) where: Base-Base interactions energy: -1366.318 where: short stacking energy: -642.008 Base-Backbone interact. energy: -2.195 local terms energy: -743.938212 where: bonds (distance) C4'-P energy: -160.687 bonds (distance) P-C4' energy: -159.088 flat angles C4'-P-C4' energy: -156.554 flat angles P-C4'-P energy: -125.934 tors. eta vs tors. theta energy: -141.676 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: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1652.572649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.572649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.572649 (E_RNA) where: Base-Base interactions energy: -991.736 where: short stacking energy: -489.723 Base-Backbone interact. energy: -3.688 local terms energy: -657.149286 where: bonds (distance) C4'-P energy: -176.548 bonds (distance) P-C4' energy: -153.820 flat angles C4'-P-C4' energy: -147.663 flat angles P-C4'-P energy: -111.124 tors. eta vs tors. theta energy: -67.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -1558.831213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.831213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.831213 (E_RNA) where: Base-Base interactions energy: -945.598 where: short stacking energy: -461.601 Base-Backbone interact. energy: 0.611 local terms energy: -613.844617 where: bonds (distance) C4'-P energy: -153.281 bonds (distance) P-C4' energy: -162.330 flat angles C4'-P-C4' energy: -130.499 flat angles P-C4'-P energy: -94.317 tors. eta vs tors. theta energy: -73.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1328.675892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.675892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.675892 (E_RNA) where: Base-Base interactions energy: -793.062 where: short stacking energy: -401.973 Base-Backbone interact. energy: -0.913 local terms energy: -534.700709 where: bonds (distance) C4'-P energy: -126.805 bonds (distance) P-C4' energy: -138.869 flat angles C4'-P-C4' energy: -143.195 flat angles P-C4'-P energy: -76.401 tors. eta vs tors. theta energy: -49.431 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: 1 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1076.514811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.514811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.514811 (E_RNA) where: Base-Base interactions energy: -593.549 where: short stacking energy: -368.533 Base-Backbone interact. energy: 1.963 local terms energy: -484.928181 where: bonds (distance) C4'-P energy: -139.247 bonds (distance) P-C4' energy: -139.918 flat angles C4'-P-C4' energy: -117.350 flat angles P-C4'-P energy: -68.064 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: 5 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -3005.013768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.013768 (E_RNA) where: Base-Base interactions energy: -2071.410 where: short stacking energy: -906.603 Base-Backbone interact. energy: -4.059 local terms energy: -929.544007 where: bonds (distance) C4'-P energy: -172.449 bonds (distance) P-C4' energy: -188.509 flat angles C4'-P-C4' energy: -200.764 flat angles P-C4'-P energy: -136.833 tors. eta vs tors. theta energy: -230.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2872.381199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.381199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.381199 (E_RNA) where: Base-Base interactions energy: -1949.915 where: short stacking energy: -886.928 Base-Backbone interact. energy: -4.296 local terms energy: -918.169920 where: bonds (distance) C4'-P energy: -186.220 bonds (distance) P-C4' energy: -183.615 flat angles C4'-P-C4' energy: -193.020 flat angles P-C4'-P energy: -131.315 tors. eta vs tors. theta energy: -223.999 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: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2711.672690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.672690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.672690 (E_RNA) where: Base-Base interactions energy: -1840.438 where: short stacking energy: -856.067 Base-Backbone interact. energy: -7.382 local terms energy: -863.853126 where: bonds (distance) C4'-P energy: -163.377 bonds (distance) P-C4' energy: -167.821 flat angles C4'-P-C4' energy: -184.571 flat angles P-C4'-P energy: -124.162 tors. eta vs tors. theta energy: -223.923 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: 9 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2387.058797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.058797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.058797 (E_RNA) where: Base-Base interactions energy: -1584.122 where: short stacking energy: -735.940 Base-Backbone interact. energy: 1.600 local terms energy: -804.536602 where: bonds (distance) C4'-P energy: -172.337 bonds (distance) P-C4' energy: -175.436 flat angles C4'-P-C4' energy: -179.160 flat angles P-C4'-P energy: -110.696 tors. eta vs tors. theta energy: -166.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2174.915187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.915187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.915187 (E_RNA) where: Base-Base interactions energy: -1409.198 where: short stacking energy: -651.839 Base-Backbone interact. energy: -2.611 local terms energy: -763.105901 where: bonds (distance) C4'-P energy: -171.157 bonds (distance) P-C4' energy: -177.158 flat angles C4'-P-C4' energy: -166.473 flat angles P-C4'-P energy: -105.840 tors. eta vs tors. theta energy: -142.477 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: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -2114.659359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.659359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.659359 (E_RNA) where: Base-Base interactions energy: -1361.094 where: short stacking energy: -668.254 Base-Backbone interact. energy: 3.309 local terms energy: -756.875064 where: bonds (distance) C4'-P energy: -159.560 bonds (distance) P-C4' energy: -164.029 flat angles C4'-P-C4' energy: -170.435 flat angles P-C4'-P energy: -107.016 tors. eta vs tors. theta energy: -155.835 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: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1694.136803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.136803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.136803 (E_RNA) where: Base-Base interactions energy: -1036.061 where: short stacking energy: -555.731 Base-Backbone interact. energy: 1.230 local terms energy: -659.305485 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -156.762 flat angles C4'-P-C4' energy: -180.108 flat angles P-C4'-P energy: -86.368 tors. eta vs tors. theta energy: -104.514 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: 10 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1612.343515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.343515 (E_RNA) where: Base-Base interactions energy: -982.600 where: short stacking energy: -449.063 Base-Backbone interact. energy: -2.343 local terms energy: -627.400800 where: bonds (distance) C4'-P energy: -150.411 bonds (distance) P-C4' energy: -149.673 flat angles C4'-P-C4' energy: -178.402 flat angles P-C4'-P energy: -90.216 tors. eta vs tors. theta energy: -58.698 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: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1370.690835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.690835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.690835 (E_RNA) where: Base-Base interactions energy: -802.323 where: short stacking energy: -404.034 Base-Backbone interact. energy: -1.794 local terms energy: -566.574472 where: bonds (distance) C4'-P energy: -137.885 bonds (distance) P-C4' energy: -170.878 flat angles C4'-P-C4' energy: -139.224 flat angles P-C4'-P energy: -69.122 tors. eta vs tors. theta energy: -49.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -1097.797117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.797117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.797117 (E_RNA) where: Base-Base interactions energy: -583.535 where: short stacking energy: -315.980 Base-Backbone interact. energy: -3.483 local terms energy: -510.779809 where: bonds (distance) C4'-P energy: -143.550 bonds (distance) P-C4' energy: -170.108 flat angles C4'-P-C4' energy: -126.166 flat angles P-C4'-P energy: -82.492 tors. eta vs tors. theta energy: 11.535 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: 5 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -3010.895945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.895945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.895945 (E_RNA) where: Base-Base interactions energy: -2088.958 where: short stacking energy: -915.865 Base-Backbone interact. energy: -0.698 local terms energy: -921.240120 where: bonds (distance) C4'-P energy: -181.090 bonds (distance) P-C4' energy: -179.678 flat angles C4'-P-C4' energy: -205.009 flat angles P-C4'-P energy: -125.899 tors. eta vs tors. theta energy: -229.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2791.756023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.756023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.756023 (E_RNA) where: Base-Base interactions energy: -1903.747 where: short stacking energy: -868.219 Base-Backbone interact. energy: -1.590 local terms energy: -886.419669 where: bonds (distance) C4'-P energy: -169.673 bonds (distance) P-C4' energy: -173.554 flat angles C4'-P-C4' energy: -202.116 flat angles P-C4'-P energy: -134.140 tors. eta vs tors. theta energy: -206.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2736.106403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.106403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.106403 (E_RNA) where: Base-Base interactions energy: -1822.764 where: short stacking energy: -806.612 Base-Backbone interact. energy: -3.173 local terms energy: -910.169631 where: bonds (distance) C4'-P energy: -171.080 bonds (distance) P-C4' energy: -197.025 flat angles C4'-P-C4' energy: -199.599 flat angles P-C4'-P energy: -127.815 tors. eta vs tors. theta energy: -214.650 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: 4, replica: 9 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2394.564839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.564839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.564839 (E_RNA) where: Base-Base interactions energy: -1575.081 where: short stacking energy: -727.854 Base-Backbone interact. energy: -1.215 local terms energy: -818.269122 where: bonds (distance) C4'-P energy: -153.781 bonds (distance) P-C4' energy: -175.971 flat angles C4'-P-C4' energy: -189.953 flat angles P-C4'-P energy: -128.753 tors. eta vs tors. theta energy: -169.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2276.371252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.371252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.371252 (E_RNA) where: Base-Base interactions energy: -1492.858 where: short stacking energy: -637.444 Base-Backbone interact. energy: 0.446 local terms energy: -783.960180 where: bonds (distance) C4'-P energy: -154.967 bonds (distance) P-C4' energy: -164.331 flat angles C4'-P-C4' energy: -184.674 flat angles P-C4'-P energy: -128.297 tors. eta vs tors. theta energy: -151.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -2128.674438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.674438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.674438 (E_RNA) where: Base-Base interactions energy: -1419.682 where: short stacking energy: -690.100 Base-Backbone interact. energy: 2.726 local terms energy: -711.718575 where: bonds (distance) C4'-P energy: -132.304 bonds (distance) P-C4' energy: -149.566 flat angles C4'-P-C4' energy: -188.452 flat angles P-C4'-P energy: -98.259 tors. eta vs tors. theta energy: -143.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1783.775962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.775962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.775962 (E_RNA) where: Base-Base interactions energy: -1089.912 where: short stacking energy: -548.124 Base-Backbone interact. energy: 4.631 local terms energy: -698.495007 where: bonds (distance) C4'-P energy: -168.879 bonds (distance) P-C4' energy: -168.370 flat angles C4'-P-C4' energy: -171.377 flat angles P-C4'-P energy: -108.100 tors. eta vs tors. theta energy: -81.769 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: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1629.405721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.405721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.405721 (E_RNA) where: Base-Base interactions energy: -1017.786 where: short stacking energy: -507.438 Base-Backbone interact. energy: 3.003 local terms energy: -614.623139 where: bonds (distance) C4'-P energy: -143.921 bonds (distance) P-C4' energy: -163.067 flat angles C4'-P-C4' energy: -145.349 flat angles P-C4'-P energy: -75.432 tors. eta vs tors. theta energy: -86.855 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: 3 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1314.938926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.938926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.938926 (E_RNA) where: Base-Base interactions energy: -756.049 where: short stacking energy: -368.169 Base-Backbone interact. energy: -3.103 local terms energy: -555.786796 where: bonds (distance) C4'-P energy: -152.432 bonds (distance) P-C4' energy: -177.246 flat angles C4'-P-C4' energy: -125.004 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -40.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -1061.898919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.898919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.898919 (E_RNA) where: Base-Base interactions energy: -556.744 where: short stacking energy: -318.224 Base-Backbone interact. energy: -0.884 local terms energy: -504.270433 where: bonds (distance) C4'-P energy: -128.253 bonds (distance) P-C4' energy: -153.521 flat angles C4'-P-C4' energy: -127.217 flat angles P-C4'-P energy: -80.321 tors. eta vs tors. theta energy: -14.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2996.659263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.659263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.659263 (E_RNA) where: Base-Base interactions energy: -2067.891 where: short stacking energy: -899.491 Base-Backbone interact. energy: -6.224 local terms energy: -922.543924 where: bonds (distance) C4'-P energy: -189.398 bonds (distance) P-C4' energy: -177.515 flat angles C4'-P-C4' energy: -210.770 flat angles P-C4'-P energy: -124.612 tors. eta vs tors. theta energy: -220.249 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: 2, replica: 8 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2801.070901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.070901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.070901 (E_RNA) where: Base-Base interactions energy: -1920.457 where: short stacking energy: -866.296 Base-Backbone interact. energy: 0.211 local terms energy: -880.824866 where: bonds (distance) C4'-P energy: -163.677 bonds (distance) P-C4' energy: -189.242 flat angles C4'-P-C4' energy: -186.034 flat angles P-C4'-P energy: -134.661 tors. eta vs tors. theta energy: -207.211 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: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2728.275995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.275995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.275995 (E_RNA) where: Base-Base interactions energy: -1821.941 where: short stacking energy: -789.014 Base-Backbone interact. energy: -2.062 local terms energy: -904.272969 where: bonds (distance) C4'-P energy: -184.587 bonds (distance) P-C4' energy: -192.047 flat angles C4'-P-C4' energy: -196.448 flat angles P-C4'-P energy: -135.723 tors. eta vs tors. theta energy: -195.469 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: 4, replica: 9 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2414.042297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.042297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.042297 (E_RNA) where: Base-Base interactions energy: -1617.732 where: short stacking energy: -744.572 Base-Backbone interact. energy: -3.552 local terms energy: -792.758030 where: bonds (distance) C4'-P energy: -156.057 bonds (distance) P-C4' energy: -176.545 flat angles C4'-P-C4' energy: -197.955 flat angles P-C4'-P energy: -100.751 tors. eta vs tors. theta energy: -161.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -2268.294190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.294190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.294190 (E_RNA) where: Base-Base interactions energy: -1480.447 where: short stacking energy: -705.151 Base-Backbone interact. energy: -3.256 local terms energy: -784.591643 where: bonds (distance) C4'-P energy: -166.226 bonds (distance) P-C4' energy: -164.718 flat angles C4'-P-C4' energy: -175.994 flat angles P-C4'-P energy: -113.812 tors. eta vs tors. theta energy: -163.842 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: 6, replica: 6 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -2146.138061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.138061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.138061 (E_RNA) where: Base-Base interactions energy: -1421.013 where: short stacking energy: -637.650 Base-Backbone interact. energy: -1.721 local terms energy: -723.404503 where: bonds (distance) C4'-P energy: -173.673 bonds (distance) P-C4' energy: -147.634 flat angles C4'-P-C4' energy: -163.642 flat angles P-C4'-P energy: -89.038 tors. eta vs tors. theta energy: -149.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1888.725168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.725168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.725168 (E_RNA) where: Base-Base interactions energy: -1222.148 where: short stacking energy: -579.498 Base-Backbone interact. energy: -1.544 local terms energy: -665.033093 where: bonds (distance) C4'-P energy: -141.522 bonds (distance) P-C4' energy: -142.896 flat angles C4'-P-C4' energy: -177.396 flat angles P-C4'-P energy: -93.183 tors. eta vs tors. theta energy: -110.038 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: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1612.791160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.791160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.791160 (E_RNA) where: Base-Base interactions energy: -1007.851 where: short stacking energy: -459.323 Base-Backbone interact. energy: 3.918 local terms energy: -608.858068 where: bonds (distance) C4'-P energy: -159.257 bonds (distance) P-C4' energy: -157.596 flat angles C4'-P-C4' energy: -143.684 flat angles P-C4'-P energy: -77.833 tors. eta vs tors. theta energy: -70.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1440.655871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.655871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.655871 (E_RNA) where: Base-Base interactions energy: -859.410 where: short stacking energy: -444.951 Base-Backbone interact. energy: -2.623 local terms energy: -578.622432 where: bonds (distance) C4'-P energy: -117.555 bonds (distance) P-C4' energy: -138.310 flat angles C4'-P-C4' energy: -177.342 flat angles P-C4'-P energy: -70.459 tors. eta vs tors. theta energy: -74.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -1098.250315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.250315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.250315 (E_RNA) where: Base-Base interactions energy: -599.898 where: short stacking energy: -351.883 Base-Backbone interact. energy: 3.786 local terms energy: -502.138411 where: bonds (distance) C4'-P energy: -119.777 bonds (distance) P-C4' energy: -139.070 flat angles C4'-P-C4' energy: -140.788 flat angles P-C4'-P energy: -86.692 tors. eta vs tors. theta energy: -15.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -3022.587490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.587490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.587490 (E_RNA) where: Base-Base interactions energy: -2076.570 where: short stacking energy: -917.574 Base-Backbone interact. energy: -4.460 local terms energy: -941.557055 where: bonds (distance) C4'-P energy: -163.054 bonds (distance) P-C4' energy: -185.989 flat angles C4'-P-C4' energy: -218.023 flat angles P-C4'-P energy: -133.425 tors. eta vs tors. theta energy: -241.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2832.720942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.720942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.720942 (E_RNA) where: Base-Base interactions energy: -1922.126 where: short stacking energy: -865.593 Base-Backbone interact. energy: -2.859 local terms energy: -907.736293 where: bonds (distance) C4'-P energy: -172.187 bonds (distance) P-C4' energy: -171.516 flat angles C4'-P-C4' energy: -219.412 flat angles P-C4'-P energy: -124.465 tors. eta vs tors. theta energy: -220.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2724.997265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.997265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.997265 (E_RNA) where: Base-Base interactions energy: -1856.311 where: short stacking energy: -830.060 Base-Backbone interact. energy: -3.157 local terms energy: -865.528954 where: bonds (distance) C4'-P energy: -157.720 bonds (distance) P-C4' energy: -179.313 flat angles C4'-P-C4' energy: -184.477 flat angles P-C4'-P energy: -133.674 tors. eta vs tors. theta energy: -210.345 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: 9 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2367.668033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.668033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.668033 (E_RNA) where: Base-Base interactions energy: -1582.898 where: short stacking energy: -726.353 Base-Backbone interact. energy: -3.897 local terms energy: -780.872983 where: bonds (distance) C4'-P energy: -152.487 bonds (distance) P-C4' energy: -178.288 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -116.743 tors. eta vs tors. theta energy: -165.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2281.540363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.540363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.540363 (E_RNA) where: Base-Base interactions energy: -1507.559 where: short stacking energy: -704.146 Base-Backbone interact. energy: -4.592 local terms energy: -769.389204 where: bonds (distance) C4'-P energy: -149.615 bonds (distance) P-C4' energy: -159.264 flat angles C4'-P-C4' energy: -178.395 flat angles P-C4'-P energy: -112.808 tors. eta vs tors. theta energy: -169.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -2220.726864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.726864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.726864 (E_RNA) where: Base-Base interactions energy: -1482.468 where: short stacking energy: -678.058 Base-Backbone interact. energy: -0.309 local terms energy: -737.949189 where: bonds (distance) C4'-P energy: -131.503 bonds (distance) P-C4' energy: -159.736 flat angles C4'-P-C4' energy: -174.901 flat angles P-C4'-P energy: -115.631 tors. eta vs tors. theta energy: -156.178 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1872.804529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.804529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.804529 (E_RNA) where: Base-Base interactions energy: -1190.846 where: short stacking energy: -534.359 Base-Backbone interact. energy: -1.677 local terms energy: -680.281487 where: bonds (distance) C4'-P energy: -174.742 bonds (distance) P-C4' energy: -147.513 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -98.315 tors. eta vs tors. theta energy: -100.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -1667.126069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.126069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.126069 (E_RNA) where: Base-Base interactions energy: -1025.121 where: short stacking energy: -489.672 Base-Backbone interact. energy: -0.736 local terms energy: -641.269007 where: bonds (distance) C4'-P energy: -165.085 bonds (distance) P-C4' energy: -156.119 flat angles C4'-P-C4' energy: -162.272 flat angles P-C4'-P energy: -79.105 tors. eta vs tors. theta energy: -78.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1420.052118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.052118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.052118 (E_RNA) where: Base-Base interactions energy: -826.105 where: short stacking energy: -406.778 Base-Backbone interact. energy: -0.544 local terms energy: -593.403154 where: bonds (distance) C4'-P energy: -135.699 bonds (distance) P-C4' energy: -160.276 flat angles C4'-P-C4' energy: -152.483 flat angles P-C4'-P energy: -98.526 tors. eta vs tors. theta energy: -46.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -1149.566526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.566526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.566526 (E_RNA) where: Base-Base interactions energy: -650.105 where: short stacking energy: -328.745 Base-Backbone interact. energy: -0.496 local terms energy: -498.965390 where: bonds (distance) C4'-P energy: -143.727 bonds (distance) P-C4' energy: -156.035 flat angles C4'-P-C4' energy: -131.529 flat angles P-C4'-P energy: -58.389 tors. eta vs tors. theta energy: -9.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -3034.556678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.556678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.556678 (E_RNA) where: Base-Base interactions energy: -2095.180 where: short stacking energy: -905.902 Base-Backbone interact. energy: -4.749 local terms energy: -934.628276 where: bonds (distance) C4'-P energy: -190.381 bonds (distance) P-C4' energy: -178.028 flat angles C4'-P-C4' energy: -202.570 flat angles P-C4'-P energy: -128.378 tors. eta vs tors. theta energy: -235.271 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: 8 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2815.187277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.187277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.187277 (E_RNA) where: Base-Base interactions energy: -1915.490 where: short stacking energy: -878.932 Base-Backbone interact. energy: -3.794 local terms energy: -895.902540 where: bonds (distance) C4'-P energy: -179.695 bonds (distance) P-C4' energy: -180.288 flat angles C4'-P-C4' energy: -195.947 flat angles P-C4'-P energy: -128.070 tors. eta vs tors. theta energy: -211.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2653.251538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.251538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.251538 (E_RNA) where: Base-Base interactions energy: -1801.760 where: short stacking energy: -826.447 Base-Backbone interact. energy: -2.360 local terms energy: -849.132459 where: bonds (distance) C4'-P energy: -174.226 bonds (distance) P-C4' energy: -179.119 flat angles C4'-P-C4' energy: -191.396 flat angles P-C4'-P energy: -110.618 tors. eta vs tors. theta energy: -193.774 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: 9 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2403.637494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.637494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.637494 (E_RNA) where: Base-Base interactions energy: -1594.885 where: short stacking energy: -746.352 Base-Backbone interact. energy: -1.260 local terms energy: -807.492382 where: bonds (distance) C4'-P energy: -156.266 bonds (distance) P-C4' energy: -164.745 flat angles C4'-P-C4' energy: -198.784 flat angles P-C4'-P energy: -115.916 tors. eta vs tors. theta energy: -171.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2317.935908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.935908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.935908 (E_RNA) where: Base-Base interactions energy: -1518.858 where: short stacking energy: -726.737 Base-Backbone interact. energy: 3.965 local terms energy: -803.042370 where: bonds (distance) C4'-P energy: -184.931 bonds (distance) P-C4' energy: -171.860 flat angles C4'-P-C4' energy: -172.998 flat angles P-C4'-P energy: -104.152 tors. eta vs tors. theta energy: -169.102 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: 39 Temperature: 1.150000 Total energy: -2189.442925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.442925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.442925 (E_RNA) where: Base-Base interactions energy: -1412.250 where: short stacking energy: -645.457 Base-Backbone interact. energy: 1.462 local terms energy: -778.654862 where: bonds (distance) C4'-P energy: -156.896 bonds (distance) P-C4' energy: -187.280 flat angles C4'-P-C4' energy: -173.655 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -151.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1924.526093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.526093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.526093 (E_RNA) where: Base-Base interactions energy: -1207.683 where: short stacking energy: -576.068 Base-Backbone interact. energy: -0.974 local terms energy: -715.868433 where: bonds (distance) C4'-P energy: -155.298 bonds (distance) P-C4' energy: -158.837 flat angles C4'-P-C4' energy: -180.302 flat angles P-C4'-P energy: -102.515 tors. eta vs tors. theta energy: -118.917 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: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1655.269468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.269468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.269468 (E_RNA) where: Base-Base interactions energy: -991.126 where: short stacking energy: -520.855 Base-Backbone interact. energy: 4.199 local terms energy: -668.342315 where: bonds (distance) C4'-P energy: -160.260 bonds (distance) P-C4' energy: -156.250 flat angles C4'-P-C4' energy: -158.084 flat angles P-C4'-P energy: -105.725 tors. eta vs tors. theta energy: -88.024 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: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1406.307966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.307966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.307966 (E_RNA) where: Base-Base interactions energy: -840.942 where: short stacking energy: -450.676 Base-Backbone interact. energy: 0.053 local terms energy: -565.418644 where: bonds (distance) C4'-P energy: -153.199 bonds (distance) P-C4' energy: -147.027 flat angles C4'-P-C4' energy: -135.036 flat angles P-C4'-P energy: -72.861 tors. eta vs tors. theta energy: -57.296 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: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -1211.199698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.199698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.199698 (E_RNA) where: Base-Base interactions energy: -709.305 where: short stacking energy: -348.938 Base-Backbone interact. energy: 5.422 local terms energy: -507.316970 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -147.603 flat angles C4'-P-C4' energy: -137.077 flat angles P-C4'-P energy: -95.891 tors. eta vs tors. theta energy: -8.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -3052.330215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.330215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.330215 (E_RNA) where: Base-Base interactions energy: -2092.867 where: short stacking energy: -919.603 Base-Backbone interact. energy: -3.348 local terms energy: -956.115353 where: bonds (distance) C4'-P energy: -176.096 bonds (distance) P-C4' energy: -187.130 flat angles C4'-P-C4' energy: -200.339 flat angles P-C4'-P energy: -136.643 tors. eta vs tors. theta energy: -255.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2826.993618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.993618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.993618 (E_RNA) where: Base-Base interactions energy: -1920.526 where: short stacking energy: -863.608 Base-Backbone interact. energy: -0.883 local terms energy: -905.585260 where: bonds (distance) C4'-P energy: -180.928 bonds (distance) P-C4' energy: -174.304 flat angles C4'-P-C4' energy: -205.665 flat angles P-C4'-P energy: -123.535 tors. eta vs tors. theta energy: -221.153 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: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2771.351535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.351535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.351535 (E_RNA) where: Base-Base interactions energy: -1895.370 where: short stacking energy: -847.935 Base-Backbone interact. energy: -0.491 local terms energy: -875.490479 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -183.020 flat angles C4'-P-C4' energy: -188.547 flat angles P-C4'-P energy: -130.923 tors. eta vs tors. theta energy: -217.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2493.026150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.026150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.026150 (E_RNA) where: Base-Base interactions energy: -1682.957 where: short stacking energy: -781.652 Base-Backbone interact. energy: 1.204 local terms energy: -811.272433 where: bonds (distance) C4'-P energy: -158.146 bonds (distance) P-C4' energy: -164.364 flat angles C4'-P-C4' energy: -188.617 flat angles P-C4'-P energy: -119.783 tors. eta vs tors. theta energy: -180.362 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: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2319.398012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.398012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.398012 (E_RNA) where: Base-Base interactions energy: -1562.630 where: short stacking energy: -733.468 Base-Backbone interact. energy: -1.282 local terms energy: -755.486738 where: bonds (distance) C4'-P energy: -148.102 bonds (distance) P-C4' energy: -175.741 flat angles C4'-P-C4' energy: -162.928 flat angles P-C4'-P energy: -101.885 tors. eta vs tors. theta energy: -166.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -2190.478808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.478808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.478808 (E_RNA) where: Base-Base interactions energy: -1447.888 where: short stacking energy: -664.636 Base-Backbone interact. energy: -0.608 local terms energy: -741.983231 where: bonds (distance) C4'-P energy: -155.928 bonds (distance) P-C4' energy: -169.287 flat angles C4'-P-C4' energy: -163.099 flat angles P-C4'-P energy: -111.781 tors. eta vs tors. theta energy: -141.888 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: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1886.863365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.863365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.863365 (E_RNA) where: Base-Base interactions energy: -1223.613 where: short stacking energy: -560.716 Base-Backbone interact. energy: -0.787 local terms energy: -662.464078 where: bonds (distance) C4'-P energy: -158.972 bonds (distance) P-C4' energy: -152.666 flat angles C4'-P-C4' energy: -165.391 flat angles P-C4'-P energy: -96.809 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1641.529812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.529812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.529812 (E_RNA) where: Base-Base interactions energy: -1032.791 where: short stacking energy: -509.050 Base-Backbone interact. energy: 0.721 local terms energy: -609.460491 where: bonds (distance) C4'-P energy: -144.308 bonds (distance) P-C4' energy: -157.360 flat angles C4'-P-C4' energy: -141.265 flat angles P-C4'-P energy: -79.941 tors. eta vs tors. theta energy: -86.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1372.992676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.992676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.992676 (E_RNA) where: Base-Base interactions energy: -781.210 where: short stacking energy: -393.423 Base-Backbone interact. energy: 1.144 local terms energy: -592.927019 where: bonds (distance) C4'-P energy: -144.167 bonds (distance) P-C4' energy: -149.952 flat angles C4'-P-C4' energy: -166.225 flat angles P-C4'-P energy: -88.308 tors. eta vs tors. theta energy: -44.274 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: 1 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -1333.486692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.486692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.486692 (E_RNA) where: Base-Base interactions energy: -786.023 where: short stacking energy: -411.753 Base-Backbone interact. energy: -1.842 local terms energy: -545.621778 where: bonds (distance) C4'-P energy: -118.520 bonds (distance) P-C4' energy: -165.209 flat angles C4'-P-C4' energy: -116.936 flat angles P-C4'-P energy: -91.121 tors. eta vs tors. theta energy: -53.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -3039.222857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.222857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.222857 (E_RNA) where: Base-Base interactions energy: -2097.519 where: short stacking energy: -906.282 Base-Backbone interact. energy: -3.902 local terms energy: -937.802226 where: bonds (distance) C4'-P energy: -173.945 bonds (distance) P-C4' energy: -185.518 flat angles C4'-P-C4' energy: -198.833 flat angles P-C4'-P energy: -129.306 tors. eta vs tors. theta energy: -250.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2801.671796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2801.671796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2801.671796 (E_RNA) where: Base-Base interactions energy: -1898.103 where: short stacking energy: -838.340 Base-Backbone interact. energy: -2.023 local terms energy: -901.545995 where: bonds (distance) C4'-P energy: -165.825 bonds (distance) P-C4' energy: -196.879 flat angles C4'-P-C4' energy: -194.858 flat angles P-C4'-P energy: -128.450 tors. eta vs tors. theta energy: -215.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2755.725340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.725340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.725340 (E_RNA) where: Base-Base interactions energy: -1919.255 where: short stacking energy: -830.009 Base-Backbone interact. energy: 4.060 local terms energy: -840.530238 where: bonds (distance) C4'-P energy: -162.394 bonds (distance) P-C4' energy: -176.621 flat angles C4'-P-C4' energy: -184.146 flat angles P-C4'-P energy: -119.432 tors. eta vs tors. theta energy: -197.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2444.601718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.601718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.601718 (E_RNA) where: Base-Base interactions energy: -1650.177 where: short stacking energy: -755.075 Base-Backbone interact. energy: -0.678 local terms energy: -793.747435 where: bonds (distance) C4'-P energy: -171.244 bonds (distance) P-C4' energy: -179.472 flat angles C4'-P-C4' energy: -169.462 flat angles P-C4'-P energy: -114.263 tors. eta vs tors. theta energy: -159.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2317.190673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.190673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.190673 (E_RNA) where: Base-Base interactions energy: -1516.142 where: short stacking energy: -715.368 Base-Backbone interact. energy: -6.752 local terms energy: -794.296661 where: bonds (distance) C4'-P energy: -153.104 bonds (distance) P-C4' energy: -170.028 flat angles C4'-P-C4' energy: -175.883 flat angles P-C4'-P energy: -122.414 tors. eta vs tors. theta energy: -172.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -2203.348650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.348650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.348650 (E_RNA) where: Base-Base interactions energy: -1421.747 where: short stacking energy: -633.415 Base-Backbone interact. energy: -5.119 local terms energy: -776.482535 where: bonds (distance) C4'-P energy: -174.696 bonds (distance) P-C4' energy: -176.011 flat angles C4'-P-C4' energy: -185.913 flat angles P-C4'-P energy: -111.564 tors. eta vs tors. theta energy: -128.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1928.949834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.949834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.949834 (E_RNA) where: Base-Base interactions energy: -1250.855 where: short stacking energy: -585.178 Base-Backbone interact. energy: 2.193 local terms energy: -680.287980 where: bonds (distance) C4'-P energy: -151.785 bonds (distance) P-C4' energy: -158.344 flat angles C4'-P-C4' energy: -174.735 flat angles P-C4'-P energy: -94.124 tors. eta vs tors. theta energy: -101.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1628.929457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.929457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.929457 (E_RNA) where: Base-Base interactions energy: -1056.908 where: short stacking energy: -541.730 Base-Backbone interact. energy: -0.284 local terms energy: -571.737623 where: bonds (distance) C4'-P energy: -143.122 bonds (distance) P-C4' energy: -166.943 flat angles C4'-P-C4' energy: -124.459 flat angles P-C4'-P energy: -67.405 tors. eta vs tors. theta energy: -69.809 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: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1441.364687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.364687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.364687 (E_RNA) where: Base-Base interactions energy: -836.439 where: short stacking energy: -407.932 Base-Backbone interact. energy: -0.180 local terms energy: -604.746598 where: bonds (distance) C4'-P energy: -143.999 bonds (distance) P-C4' energy: -158.787 flat angles C4'-P-C4' energy: -135.828 flat angles P-C4'-P energy: -91.629 tors. eta vs tors. theta energy: -74.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -1367.862897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.862897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.862897 (E_RNA) where: Base-Base interactions energy: -809.510 where: short stacking energy: -391.060 Base-Backbone interact. energy: 3.154 local terms energy: -561.507031 where: bonds (distance) C4'-P energy: -143.424 bonds (distance) P-C4' energy: -154.590 flat angles C4'-P-C4' energy: -146.697 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -52.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -3072.909821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.909821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.909821 (E_RNA) where: Base-Base interactions energy: -2118.382 where: short stacking energy: -949.934 Base-Backbone interact. energy: -4.130 local terms energy: -950.398049 where: bonds (distance) C4'-P energy: -177.461 bonds (distance) P-C4' energy: -183.622 flat angles C4'-P-C4' energy: -201.638 flat angles P-C4'-P energy: -133.247 tors. eta vs tors. theta energy: -254.430 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: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2837.310012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.310012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.310012 (E_RNA) where: Base-Base interactions energy: -1955.472 where: short stacking energy: -868.218 Base-Backbone interact. energy: -3.693 local terms energy: -878.144335 where: bonds (distance) C4'-P energy: -177.651 bonds (distance) P-C4' energy: -182.084 flat angles C4'-P-C4' energy: -187.117 flat angles P-C4'-P energy: -124.404 tors. eta vs tors. theta energy: -206.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2723.090828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.090828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.090828 (E_RNA) where: Base-Base interactions energy: -1865.166 where: short stacking energy: -827.568 Base-Backbone interact. energy: -1.443 local terms energy: -856.481216 where: bonds (distance) C4'-P energy: -174.781 bonds (distance) P-C4' energy: -173.298 flat angles C4'-P-C4' energy: -195.870 flat angles P-C4'-P energy: -110.756 tors. eta vs tors. theta energy: -201.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2436.313258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.313258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.313258 (E_RNA) where: Base-Base interactions energy: -1636.007 where: short stacking energy: -753.902 Base-Backbone interact. energy: 2.350 local terms energy: -802.655833 where: bonds (distance) C4'-P energy: -167.322 bonds (distance) P-C4' energy: -160.224 flat angles C4'-P-C4' energy: -172.991 flat angles P-C4'-P energy: -124.395 tors. eta vs tors. theta energy: -177.724 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: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2272.847340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.847340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.847340 (E_RNA) where: Base-Base interactions energy: -1476.744 where: short stacking energy: -695.263 Base-Backbone interact. energy: -3.450 local terms energy: -792.653635 where: bonds (distance) C4'-P energy: -168.609 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -181.849 flat angles P-C4'-P energy: -109.897 tors. eta vs tors. theta energy: -172.537 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: 4 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -2228.638118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.638118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.638118 (E_RNA) where: Base-Base interactions energy: -1502.292 where: short stacking energy: -645.576 Base-Backbone interact. energy: 5.926 local terms energy: -732.272092 where: bonds (distance) C4'-P energy: -137.352 bonds (distance) P-C4' energy: -151.657 flat angles C4'-P-C4' energy: -182.166 flat angles P-C4'-P energy: -121.447 tors. eta vs tors. theta energy: -139.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1962.995979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.995979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.995979 (E_RNA) where: Base-Base interactions energy: -1274.817 where: short stacking energy: -592.499 Base-Backbone interact. energy: -3.727 local terms energy: -684.452084 where: bonds (distance) C4'-P energy: -158.274 bonds (distance) P-C4' energy: -170.741 flat angles C4'-P-C4' energy: -155.646 flat angles P-C4'-P energy: -92.576 tors. eta vs tors. theta energy: -107.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1674.943649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.943649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.943649 (E_RNA) where: Base-Base interactions energy: -1043.142 where: short stacking energy: -489.260 Base-Backbone interact. energy: 1.963 local terms energy: -633.764280 where: bonds (distance) C4'-P energy: -147.938 bonds (distance) P-C4' energy: -150.682 flat angles C4'-P-C4' energy: -159.421 flat angles P-C4'-P energy: -98.456 tors. eta vs tors. theta energy: -77.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1637.934399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.934399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.934399 (E_RNA) where: Base-Base interactions energy: -1020.476 where: short stacking energy: -477.368 Base-Backbone interact. energy: 1.950 local terms energy: -619.409280 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -134.711 flat angles C4'-P-C4' energy: -143.865 flat angles P-C4'-P energy: -97.541 tors. eta vs tors. theta energy: -99.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -1432.699755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.699755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.699755 (E_RNA) where: Base-Base interactions energy: -903.791 where: short stacking energy: -416.616 Base-Backbone interact. energy: 0.381 local terms energy: -529.290118 where: bonds (distance) C4'-P energy: -134.253 bonds (distance) P-C4' energy: -131.127 flat angles C4'-P-C4' energy: -132.429 flat angles P-C4'-P energy: -85.077 tors. eta vs tors. theta energy: -46.405 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: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -3091.834856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.834856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.834856 (E_RNA) where: Base-Base interactions energy: -2150.559 where: short stacking energy: -963.344 Base-Backbone interact. energy: -7.687 local terms energy: -933.588793 where: bonds (distance) C4'-P energy: -169.527 bonds (distance) P-C4' energy: -177.596 flat angles C4'-P-C4' energy: -197.950 flat angles P-C4'-P energy: -141.883 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: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2833.321718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.321718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.321718 (E_RNA) where: Base-Base interactions energy: -1929.654 where: short stacking energy: -832.545 Base-Backbone interact. energy: -3.280 local terms energy: -900.387656 where: bonds (distance) C4'-P energy: -181.409 bonds (distance) P-C4' energy: -155.962 flat angles C4'-P-C4' energy: -209.302 flat angles P-C4'-P energy: -150.989 tors. eta vs tors. theta energy: -202.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2721.684963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.684963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.684963 (E_RNA) where: Base-Base interactions energy: -1873.380 where: short stacking energy: -829.051 Base-Backbone interact. energy: -2.447 local terms energy: -845.858233 where: bonds (distance) C4'-P energy: -159.245 bonds (distance) P-C4' energy: -172.070 flat angles C4'-P-C4' energy: -200.426 flat angles P-C4'-P energy: -112.764 tors. eta vs tors. theta energy: -201.354 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: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2413.588769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.588769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.588769 (E_RNA) where: Base-Base interactions energy: -1580.128 where: short stacking energy: -741.851 Base-Backbone interact. energy: 2.640 local terms energy: -836.101091 where: bonds (distance) C4'-P energy: -156.124 bonds (distance) P-C4' energy: -178.460 flat angles C4'-P-C4' energy: -203.838 flat angles P-C4'-P energy: -109.025 tors. eta vs tors. theta energy: -188.653 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: 9 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2291.565096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.565096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.565096 (E_RNA) where: Base-Base interactions energy: -1532.563 where: short stacking energy: -691.058 Base-Backbone interact. energy: -0.665 local terms energy: -758.337282 where: bonds (distance) C4'-P energy: -156.154 bonds (distance) P-C4' energy: -177.165 flat angles C4'-P-C4' energy: -162.742 flat angles P-C4'-P energy: -115.428 tors. eta vs tors. theta energy: -146.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -2382.913927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.913927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.913927 (E_RNA) where: Base-Base interactions energy: -1662.756 where: short stacking energy: -686.271 Base-Backbone interact. energy: 1.112 local terms energy: -721.270429 where: bonds (distance) C4'-P energy: -130.827 bonds (distance) P-C4' energy: -147.412 flat angles C4'-P-C4' energy: -157.072 flat angles P-C4'-P energy: -122.918 tors. eta vs tors. theta energy: -163.041 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: 10 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1917.996324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.996324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.996324 (E_RNA) where: Base-Base interactions energy: -1233.237 where: short stacking energy: -566.991 Base-Backbone interact. energy: -4.904 local terms energy: -679.854648 where: bonds (distance) C4'-P energy: -151.403 bonds (distance) P-C4' energy: -168.803 flat angles C4'-P-C4' energy: -148.456 flat angles P-C4'-P energy: -110.037 tors. eta vs tors. theta energy: -101.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1734.113978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.113978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.113978 (E_RNA) where: Base-Base interactions energy: -1103.469 where: short stacking energy: -522.741 Base-Backbone interact. energy: 0.035 local terms energy: -630.680034 where: bonds (distance) C4'-P energy: -146.249 bonds (distance) P-C4' energy: -155.327 flat angles C4'-P-C4' energy: -145.641 flat angles P-C4'-P energy: -89.284 tors. eta vs tors. theta energy: -94.180 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: 9, replica: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1575.510160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.510160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.510160 (E_RNA) where: Base-Base interactions energy: -1018.462 where: short stacking energy: -445.425 Base-Backbone interact. energy: 3.547 local terms energy: -560.595942 where: bonds (distance) C4'-P energy: -114.175 bonds (distance) P-C4' energy: -165.589 flat angles C4'-P-C4' energy: -155.337 flat angles P-C4'-P energy: -65.865 tors. eta vs tors. theta energy: -59.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -1396.083560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.083560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.083560 (E_RNA) where: Base-Base interactions energy: -884.185 where: short stacking energy: -437.717 Base-Backbone interact. energy: 2.405 local terms energy: -514.303821 where: bonds (distance) C4'-P energy: -113.857 bonds (distance) P-C4' energy: -160.088 flat angles C4'-P-C4' energy: -135.149 flat angles P-C4'-P energy: -78.952 tors. eta vs tors. theta energy: -26.258 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: 1, replica: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -3035.617347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.617347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.617347 (E_RNA) where: Base-Base interactions energy: -2074.307 where: short stacking energy: -939.856 Base-Backbone interact. energy: -2.466 local terms energy: -958.844402 where: bonds (distance) C4'-P energy: -188.947 bonds (distance) P-C4' energy: -191.687 flat angles C4'-P-C4' energy: -198.139 flat angles P-C4'-P energy: -123.146 tors. eta vs tors. theta energy: -256.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2867.073812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.073812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.073812 (E_RNA) where: Base-Base interactions energy: -1958.992 where: short stacking energy: -863.689 Base-Backbone interact. energy: -2.792 local terms energy: -905.289256 where: bonds (distance) C4'-P energy: -176.192 bonds (distance) P-C4' energy: -184.146 flat angles C4'-P-C4' energy: -202.261 flat angles P-C4'-P energy: -127.014 tors. eta vs tors. theta energy: -215.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2798.440266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.440266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.440266 (E_RNA) where: Base-Base interactions energy: -1942.139 where: short stacking energy: -851.038 Base-Backbone interact. energy: -6.565 local terms energy: -849.737171 where: bonds (distance) C4'-P energy: -164.835 bonds (distance) P-C4' energy: -175.332 flat angles C4'-P-C4' energy: -191.494 flat angles P-C4'-P energy: -120.629 tors. eta vs tors. theta energy: -197.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2504.627884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.627884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.627884 (E_RNA) where: Base-Base interactions energy: -1664.089 where: short stacking energy: -767.088 Base-Backbone interact. energy: -3.316 local terms energy: -837.222785 where: bonds (distance) C4'-P energy: -174.019 bonds (distance) P-C4' energy: -170.536 flat angles C4'-P-C4' energy: -190.447 flat angles P-C4'-P energy: -119.852 tors. eta vs tors. theta energy: -182.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2435.820106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.820106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.820106 (E_RNA) where: Base-Base interactions energy: -1671.451 where: short stacking energy: -694.544 Base-Backbone interact. energy: 6.643 local terms energy: -771.012383 where: bonds (distance) C4'-P energy: -146.972 bonds (distance) P-C4' energy: -148.815 flat angles C4'-P-C4' energy: -187.915 flat angles P-C4'-P energy: -118.800 tors. eta vs tors. theta energy: -168.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2308.293872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.293872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.293872 (E_RNA) where: Base-Base interactions energy: -1580.538 where: short stacking energy: -713.936 Base-Backbone interact. energy: 1.809 local terms energy: -729.564296 where: bonds (distance) C4'-P energy: -160.070 bonds (distance) P-C4' energy: -147.835 flat angles C4'-P-C4' energy: -167.495 flat angles P-C4'-P energy: -107.635 tors. eta vs tors. theta energy: -146.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1935.489396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.489396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.489396 (E_RNA) where: Base-Base interactions energy: -1243.591 where: short stacking energy: -530.084 Base-Backbone interact. energy: -1.614 local terms energy: -690.284973 where: bonds (distance) C4'-P energy: -143.525 bonds (distance) P-C4' energy: -176.026 flat angles C4'-P-C4' energy: -176.251 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -93.848 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: 8, replica: 1 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1717.809702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.809702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.809702 (E_RNA) where: Base-Base interactions energy: -1082.800 where: short stacking energy: -521.730 Base-Backbone interact. energy: -1.681 local terms energy: -633.328490 where: bonds (distance) C4'-P energy: -133.300 bonds (distance) P-C4' energy: -162.364 flat angles C4'-P-C4' energy: -153.033 flat angles P-C4'-P energy: -100.143 tors. eta vs tors. theta energy: -84.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1570.292803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.292803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.292803 (E_RNA) where: Base-Base interactions energy: -953.845 where: short stacking energy: -471.721 Base-Backbone interact. energy: -2.305 local terms energy: -614.142696 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -157.765 flat angles C4'-P-C4' energy: -147.460 flat angles P-C4'-P energy: -84.328 tors. eta vs tors. theta energy: -76.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -1350.287632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.287632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.287632 (E_RNA) where: Base-Base interactions energy: -825.483 where: short stacking energy: -404.586 Base-Backbone interact. energy: 6.840 local terms energy: -531.645209 where: bonds (distance) C4'-P energy: -115.161 bonds (distance) P-C4' energy: -141.694 flat angles C4'-P-C4' energy: -155.173 flat angles P-C4'-P energy: -81.549 tors. eta vs tors. theta energy: -38.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -3063.552369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.552369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.552369 (E_RNA) where: Base-Base interactions energy: -2076.088 where: short stacking energy: -965.851 Base-Backbone interact. energy: -5.245 local terms energy: -982.218797 where: bonds (distance) C4'-P energy: -176.306 bonds (distance) P-C4' energy: -181.038 flat angles C4'-P-C4' energy: -219.248 flat angles P-C4'-P energy: -152.075 tors. eta vs tors. theta energy: -253.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2831.686776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.686776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.686776 (E_RNA) where: Base-Base interactions energy: -1938.762 where: short stacking energy: -846.950 Base-Backbone interact. energy: -4.097 local terms energy: -888.827409 where: bonds (distance) C4'-P energy: -177.629 bonds (distance) P-C4' energy: -175.938 flat angles C4'-P-C4' energy: -197.280 flat angles P-C4'-P energy: -129.974 tors. eta vs tors. theta energy: -208.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2753.128136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.128136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.128136 (E_RNA) where: Base-Base interactions energy: -1878.796 where: short stacking energy: -823.848 Base-Backbone interact. energy: -3.410 local terms energy: -870.922681 where: bonds (distance) C4'-P energy: -165.317 bonds (distance) P-C4' energy: -185.500 flat angles C4'-P-C4' energy: -192.296 flat angles P-C4'-P energy: -123.097 tors. eta vs tors. theta energy: -204.712 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: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2502.162299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.162299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.162299 (E_RNA) where: Base-Base interactions energy: -1624.941 where: short stacking energy: -777.356 Base-Backbone interact. energy: -4.370 local terms energy: -872.850874 where: bonds (distance) C4'-P energy: -170.794 bonds (distance) P-C4' energy: -167.220 flat angles C4'-P-C4' energy: -197.794 flat angles P-C4'-P energy: -138.168 tors. eta vs tors. theta energy: -198.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2428.940925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.940925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.940925 (E_RNA) where: Base-Base interactions energy: -1673.713 where: short stacking energy: -735.319 Base-Backbone interact. energy: -2.582 local terms energy: -752.646158 where: bonds (distance) C4'-P energy: -138.170 bonds (distance) P-C4' energy: -161.060 flat angles C4'-P-C4' energy: -195.921 flat angles P-C4'-P energy: -94.433 tors. eta vs tors. theta energy: -163.063 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: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2322.356461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.356461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.356461 (E_RNA) where: Base-Base interactions energy: -1574.579 where: short stacking energy: -697.981 Base-Backbone interact. energy: -1.036 local terms energy: -746.741770 where: bonds (distance) C4'-P energy: -142.440 bonds (distance) P-C4' energy: -165.367 flat angles C4'-P-C4' energy: -159.216 flat angles P-C4'-P energy: -106.966 tors. eta vs tors. theta energy: -172.753 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: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1824.131310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.131310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.131310 (E_RNA) where: Base-Base interactions energy: -1179.336 where: short stacking energy: -576.833 Base-Backbone interact. energy: -3.821 local terms energy: -640.973881 where: bonds (distance) C4'-P energy: -146.748 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -147.209 flat angles P-C4'-P energy: -95.341 tors. eta vs tors. theta energy: -111.866 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: 8, replica: 1 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1770.754420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.754420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.754420 (E_RNA) where: Base-Base interactions energy: -1128.792 where: short stacking energy: -556.452 Base-Backbone interact. energy: 3.185 local terms energy: -645.147074 where: bonds (distance) C4'-P energy: -141.986 bonds (distance) P-C4' energy: -161.950 flat angles C4'-P-C4' energy: -149.206 flat angles P-C4'-P energy: -85.970 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: 45 Temperature: 1.300000 Total energy: -1542.774712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.774712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.774712 (E_RNA) where: Base-Base interactions energy: -960.102 where: short stacking energy: -458.882 Base-Backbone interact. energy: 1.557 local terms energy: -584.229335 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -130.138 flat angles C4'-P-C4' energy: -154.097 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -76.644 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: 10, replica: 3 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -1306.892573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.892573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.892573 (E_RNA) where: Base-Base interactions energy: -789.474 where: short stacking energy: -371.201 Base-Backbone interact. energy: 2.626 local terms energy: -520.044658 where: bonds (distance) C4'-P energy: -146.108 bonds (distance) P-C4' energy: -127.409 flat angles C4'-P-C4' energy: -132.675 flat angles P-C4'-P energy: -86.843 tors. eta vs tors. theta energy: -27.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -3070.979817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.979817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.979817 (E_RNA) where: Base-Base interactions energy: -2125.913 where: short stacking energy: -942.658 Base-Backbone interact. energy: -1.013 local terms energy: -944.054108 where: bonds (distance) C4'-P energy: -180.023 bonds (distance) P-C4' energy: -192.526 flat angles C4'-P-C4' energy: -198.443 flat angles P-C4'-P energy: -141.137 tors. eta vs tors. theta energy: -231.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2902.939693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.939693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.939693 (E_RNA) where: Base-Base interactions energy: -1969.981 where: short stacking energy: -874.489 Base-Backbone interact. energy: -2.076 local terms energy: -930.883113 where: bonds (distance) C4'-P energy: -204.774 bonds (distance) P-C4' energy: -168.110 flat angles C4'-P-C4' energy: -202.221 flat angles P-C4'-P energy: -133.575 tors. eta vs tors. theta energy: -222.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2842.724037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.724037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.724037 (E_RNA) where: Base-Base interactions energy: -1969.701 where: short stacking energy: -849.761 Base-Backbone interact. energy: 4.437 local terms energy: -877.460218 where: bonds (distance) C4'-P energy: -158.409 bonds (distance) P-C4' energy: -175.961 flat angles C4'-P-C4' energy: -198.318 flat angles P-C4'-P energy: -134.838 tors. eta vs tors. theta energy: -209.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2498.290577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.290577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.290577 (E_RNA) where: Base-Base interactions energy: -1688.765 where: short stacking energy: -768.272 Base-Backbone interact. energy: 0.250 local terms energy: -809.776042 where: bonds (distance) C4'-P energy: -141.716 bonds (distance) P-C4' energy: -175.483 flat angles C4'-P-C4' energy: -182.453 flat angles P-C4'-P energy: -118.298 tors. eta vs tors. theta energy: -191.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2459.776116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.776116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.776116 (E_RNA) where: Base-Base interactions energy: -1679.953 where: short stacking energy: -735.083 Base-Backbone interact. energy: 1.321 local terms energy: -781.144834 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -149.020 flat angles C4'-P-C4' energy: -186.466 flat angles P-C4'-P energy: -121.229 tors. eta vs tors. theta energy: -171.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2269.102712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.102712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.102712 (E_RNA) where: Base-Base interactions energy: -1518.512 where: short stacking energy: -698.748 Base-Backbone interact. energy: 0.606 local terms energy: -751.196160 where: bonds (distance) C4'-P energy: -159.804 bonds (distance) P-C4' energy: -167.065 flat angles C4'-P-C4' energy: -171.379 flat angles P-C4'-P energy: -99.589 tors. eta vs tors. theta energy: -153.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1886.962406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.962406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.962406 (E_RNA) where: Base-Base interactions energy: -1227.288 where: short stacking energy: -579.521 Base-Backbone interact. energy: 6.577 local terms energy: -666.252028 where: bonds (distance) C4'-P energy: -167.562 bonds (distance) P-C4' energy: -157.949 flat angles C4'-P-C4' energy: -162.433 flat angles P-C4'-P energy: -80.913 tors. eta vs tors. theta energy: -97.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1818.272654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.272654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.272654 (E_RNA) where: Base-Base interactions energy: -1114.160 where: short stacking energy: -544.565 Base-Backbone interact. energy: -3.311 local terms energy: -700.801370 where: bonds (distance) C4'-P energy: -172.876 bonds (distance) P-C4' energy: -170.296 flat angles C4'-P-C4' energy: -142.891 flat angles P-C4'-P energy: -103.680 tors. eta vs tors. theta energy: -111.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1546.995890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.995890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.995890 (E_RNA) where: Base-Base interactions energy: -974.010 where: short stacking energy: -469.667 Base-Backbone interact. energy: 0.902 local terms energy: -573.887707 where: bonds (distance) C4'-P energy: -130.055 bonds (distance) P-C4' energy: -150.935 flat angles C4'-P-C4' energy: -143.540 flat angles P-C4'-P energy: -92.532 tors. eta vs tors. theta energy: -56.825 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: 3 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -1362.532657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.532657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.532657 (E_RNA) where: Base-Base interactions energy: -801.759 where: short stacking energy: -407.968 Base-Backbone interact. energy: 0.079 local terms energy: -560.853114 where: bonds (distance) C4'-P energy: -132.812 bonds (distance) P-C4' energy: -147.995 flat angles C4'-P-C4' energy: -140.831 flat angles P-C4'-P energy: -75.045 tors. eta vs tors. theta energy: -64.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -3070.253895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.253895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.253895 (E_RNA) where: Base-Base interactions energy: -2117.005 where: short stacking energy: -933.290 Base-Backbone interact. energy: -5.217 local terms energy: -948.031874 where: bonds (distance) C4'-P energy: -197.007 bonds (distance) P-C4' energy: -184.026 flat angles C4'-P-C4' energy: -196.960 flat angles P-C4'-P energy: -125.144 tors. eta vs tors. theta energy: -244.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2956.911236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.911236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.911236 (E_RNA) where: Base-Base interactions energy: -2076.055 where: short stacking energy: -876.169 Base-Backbone interact. energy: 1.751 local terms energy: -882.607711 where: bonds (distance) C4'-P energy: -181.373 bonds (distance) P-C4' energy: -166.374 flat angles C4'-P-C4' energy: -214.707 flat angles P-C4'-P energy: -115.315 tors. eta vs tors. theta energy: -204.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2797.057076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.057076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.057076 (E_RNA) where: Base-Base interactions energy: -1936.036 where: short stacking energy: -840.051 Base-Backbone interact. energy: -2.283 local terms energy: -858.738163 where: bonds (distance) C4'-P energy: -169.457 bonds (distance) P-C4' energy: -197.045 flat angles C4'-P-C4' energy: -185.000 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -213.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2535.940947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.940947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.940947 (E_RNA) where: Base-Base interactions energy: -1715.184 where: short stacking energy: -778.999 Base-Backbone interact. energy: -3.017 local terms energy: -817.739655 where: bonds (distance) C4'-P energy: -162.022 bonds (distance) P-C4' energy: -163.070 flat angles C4'-P-C4' energy: -183.846 flat angles P-C4'-P energy: -114.636 tors. eta vs tors. theta energy: -194.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2547.084670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.084670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.084670 (E_RNA) where: Base-Base interactions energy: -1745.394 where: short stacking energy: -769.300 Base-Backbone interact. energy: -3.686 local terms energy: -798.004730 where: bonds (distance) C4'-P energy: -149.609 bonds (distance) P-C4' energy: -165.639 flat angles C4'-P-C4' energy: -189.396 flat angles P-C4'-P energy: -97.539 tors. eta vs tors. theta energy: -195.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2192.500891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.500891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.500891 (E_RNA) where: Base-Base interactions energy: -1455.173 where: short stacking energy: -610.315 Base-Backbone interact. energy: -4.958 local terms energy: -732.370269 where: bonds (distance) C4'-P energy: -146.934 bonds (distance) P-C4' energy: -149.902 flat angles C4'-P-C4' energy: -172.083 flat angles P-C4'-P energy: -121.633 tors. eta vs tors. theta energy: -141.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1869.317935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.317935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.317935 (E_RNA) where: Base-Base interactions energy: -1204.177 where: short stacking energy: -561.874 Base-Backbone interact. energy: 0.683 local terms energy: -665.823758 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -159.909 flat angles C4'-P-C4' energy: -154.655 flat angles P-C4'-P energy: -87.984 tors. eta vs tors. theta energy: -105.028 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: 8, replica: 1 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1756.758693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.758693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.758693 (E_RNA) where: Base-Base interactions energy: -1133.252 where: short stacking energy: -523.746 Base-Backbone interact. energy: -0.039 local terms energy: -623.467738 where: bonds (distance) C4'-P energy: -141.063 bonds (distance) P-C4' energy: -145.827 flat angles C4'-P-C4' energy: -155.330 flat angles P-C4'-P energy: -101.375 tors. eta vs tors. theta energy: -79.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1546.874656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.874656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.874656 (E_RNA) where: Base-Base interactions energy: -1000.075 where: short stacking energy: -451.573 Base-Backbone interact. energy: 6.253 local terms energy: -553.051880 where: bonds (distance) C4'-P energy: -129.810 bonds (distance) P-C4' energy: -160.063 flat angles C4'-P-C4' energy: -142.351 flat angles P-C4'-P energy: -71.886 tors. eta vs tors. theta energy: -48.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -1330.301341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.301341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.301341 (E_RNA) where: Base-Base interactions energy: -845.132 where: short stacking energy: -392.956 Base-Backbone interact. energy: 4.263 local terms energy: -489.432992 where: bonds (distance) C4'-P energy: -123.500 bonds (distance) P-C4' energy: -157.876 flat angles C4'-P-C4' energy: -108.449 flat angles P-C4'-P energy: -69.848 tors. eta vs tors. theta energy: -29.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -3052.542643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.542643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.542643 (E_RNA) where: Base-Base interactions energy: -2123.544 where: short stacking energy: -936.749 Base-Backbone interact. energy: -6.682 local terms energy: -922.317316 where: bonds (distance) C4'-P energy: -177.946 bonds (distance) P-C4' energy: -178.336 flat angles C4'-P-C4' energy: -212.415 flat angles P-C4'-P energy: -125.944 tors. eta vs tors. theta energy: -227.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -3038.461216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.461216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.461216 (E_RNA) where: Base-Base interactions energy: -2113.568 where: short stacking energy: -935.816 Base-Backbone interact. energy: -0.981 local terms energy: -923.912454 where: bonds (distance) C4'-P energy: -179.265 bonds (distance) P-C4' energy: -184.894 flat angles C4'-P-C4' energy: -198.569 flat angles P-C4'-P energy: -124.260 tors. eta vs tors. theta energy: -236.924 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: 48 Temperature: 1.000000 Total energy: -2753.241944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.241944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.241944 (E_RNA) where: Base-Base interactions energy: -1884.017 where: short stacking energy: -842.657 Base-Backbone interact. energy: 0.295 local terms energy: -869.520182 where: bonds (distance) C4'-P energy: -186.101 bonds (distance) P-C4' energy: -185.896 flat angles C4'-P-C4' energy: -178.699 flat angles P-C4'-P energy: -118.416 tors. eta vs tors. theta energy: -200.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2525.925957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.925957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.925957 (E_RNA) where: Base-Base interactions energy: -1666.709 where: short stacking energy: -760.147 Base-Backbone interact. energy: 1.958 local terms energy: -861.175483 where: bonds (distance) C4'-P energy: -172.832 bonds (distance) P-C4' energy: -182.031 flat angles C4'-P-C4' energy: -186.076 flat angles P-C4'-P energy: -118.641 tors. eta vs tors. theta energy: -201.596 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: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2540.309163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.309163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.309163 (E_RNA) where: Base-Base interactions energy: -1718.142 where: short stacking energy: -767.735 Base-Backbone interact. energy: 0.983 local terms energy: -823.151020 where: bonds (distance) C4'-P energy: -149.233 bonds (distance) P-C4' energy: -164.193 flat angles C4'-P-C4' energy: -182.663 flat angles P-C4'-P energy: -117.037 tors. eta vs tors. theta energy: -210.026 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: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -2190.874155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.874155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.874155 (E_RNA) where: Base-Base interactions energy: -1457.609 where: short stacking energy: -653.717 Base-Backbone interact. energy: -3.419 local terms energy: -729.846364 where: bonds (distance) C4'-P energy: -155.342 bonds (distance) P-C4' energy: -181.466 flat angles C4'-P-C4' energy: -148.328 flat angles P-C4'-P energy: -106.708 tors. eta vs tors. theta energy: -138.002 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: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1861.411637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.411637 (E_RNA) where: Base-Base interactions energy: -1224.947 where: short stacking energy: -550.534 Base-Backbone interact. energy: 9.340 local terms energy: -645.804216 where: bonds (distance) C4'-P energy: -135.103 bonds (distance) P-C4' energy: -159.157 flat angles C4'-P-C4' energy: -160.850 flat angles P-C4'-P energy: -86.722 tors. eta vs tors. theta energy: -103.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1779.278200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.278200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.278200 (E_RNA) where: Base-Base interactions energy: -1123.396 where: short stacking energy: -539.510 Base-Backbone interact. energy: -0.350 local terms energy: -655.532070 where: bonds (distance) C4'-P energy: -158.107 bonds (distance) P-C4' energy: -156.212 flat angles C4'-P-C4' energy: -158.805 flat angles P-C4'-P energy: -80.801 tors. eta vs tors. theta energy: -101.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1525.807880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.807880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.807880 (E_RNA) where: Base-Base interactions energy: -960.207 where: short stacking energy: -450.175 Base-Backbone interact. energy: -0.043 local terms energy: -565.557306 where: bonds (distance) C4'-P energy: -145.810 bonds (distance) P-C4' energy: -148.724 flat angles C4'-P-C4' energy: -132.287 flat angles P-C4'-P energy: -88.094 tors. eta vs tors. theta energy: -50.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -1305.936262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.936262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.936262 (E_RNA) where: Base-Base interactions energy: -768.252 where: short stacking energy: -388.720 Base-Backbone interact. energy: -1.544 local terms energy: -536.140273 where: bonds (distance) C4'-P energy: -115.402 bonds (distance) P-C4' energy: -179.212 flat angles C4'-P-C4' energy: -128.432 flat angles P-C4'-P energy: -73.199 tors. eta vs tors. theta energy: -39.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -3092.380540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.380540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.380540 (E_RNA) where: Base-Base interactions energy: -2185.404 where: short stacking energy: -934.068 Base-Backbone interact. energy: -0.834 local terms energy: -906.141998 where: bonds (distance) C4'-P energy: -169.031 bonds (distance) P-C4' energy: -165.966 flat angles C4'-P-C4' energy: -210.362 flat angles P-C4'-P energy: -134.008 tors. eta vs tors. theta energy: -226.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -3041.168518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.168518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.168518 (E_RNA) where: Base-Base interactions energy: -2093.056 where: short stacking energy: -894.731 Base-Backbone interact. energy: -2.360 local terms energy: -945.752232 where: bonds (distance) C4'-P energy: -182.444 bonds (distance) P-C4' energy: -173.005 flat angles C4'-P-C4' energy: -212.178 flat angles P-C4'-P energy: -134.132 tors. eta vs tors. theta energy: -243.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2749.269993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.269993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.269993 (E_RNA) where: Base-Base interactions energy: -1889.716 where: short stacking energy: -833.229 Base-Backbone interact. energy: -0.856 local terms energy: -858.698634 where: bonds (distance) C4'-P energy: -172.383 bonds (distance) P-C4' energy: -171.642 flat angles C4'-P-C4' energy: -184.351 flat angles P-C4'-P energy: -118.983 tors. eta vs tors. theta energy: -211.340 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: 49 Temperature: 1.050000 Total energy: -2667.913940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.913940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.913940 (E_RNA) where: Base-Base interactions energy: -1802.860 where: short stacking energy: -782.794 Base-Backbone interact. energy: -4.042 local terms energy: -861.011875 where: bonds (distance) C4'-P energy: -186.251 bonds (distance) P-C4' energy: -168.111 flat angles C4'-P-C4' energy: -179.692 flat angles P-C4'-P energy: -118.394 tors. eta vs tors. theta energy: -208.564 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: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2497.857247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.857247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.857247 (E_RNA) where: Base-Base interactions energy: -1703.020 where: short stacking energy: -782.688 Base-Backbone interact. energy: -4.648 local terms energy: -790.189190 where: bonds (distance) C4'-P energy: -151.753 bonds (distance) P-C4' energy: -152.510 flat angles C4'-P-C4' energy: -180.316 flat angles P-C4'-P energy: -111.269 tors. eta vs tors. theta energy: -194.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -2127.668320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.668320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.668320 (E_RNA) where: Base-Base interactions energy: -1391.159 where: short stacking energy: -652.492 Base-Backbone interact. energy: -2.703 local terms energy: -733.806350 where: bonds (distance) C4'-P energy: -164.902 bonds (distance) P-C4' energy: -169.741 flat angles C4'-P-C4' energy: -173.886 flat angles P-C4'-P energy: -91.596 tors. eta vs tors. theta energy: -133.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1897.548277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.548277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.548277 (E_RNA) where: Base-Base interactions energy: -1253.572 where: short stacking energy: -568.649 Base-Backbone interact. energy: 1.220 local terms energy: -645.197141 where: bonds (distance) C4'-P energy: -123.213 bonds (distance) P-C4' energy: -163.237 flat angles C4'-P-C4' energy: -166.755 flat angles P-C4'-P energy: -101.140 tors. eta vs tors. theta energy: -90.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1947.950630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.950630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.950630 (E_RNA) where: Base-Base interactions energy: -1294.403 where: short stacking energy: -633.579 Base-Backbone interact. energy: 2.873 local terms energy: -656.420053 where: bonds (distance) C4'-P energy: -135.196 bonds (distance) P-C4' energy: -141.724 flat angles C4'-P-C4' energy: -160.282 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -129.524 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: 2 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1607.850642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.850642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.850642 (E_RNA) where: Base-Base interactions energy: -1016.135 where: short stacking energy: -501.355 Base-Backbone interact. energy: 6.406 local terms energy: -598.122122 where: bonds (distance) C4'-P energy: -154.109 bonds (distance) P-C4' energy: -138.727 flat angles C4'-P-C4' energy: -149.623 flat angles P-C4'-P energy: -93.346 tors. eta vs tors. theta energy: -62.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -1344.094783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.094783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.094783 (E_RNA) where: Base-Base interactions energy: -826.863 where: short stacking energy: -413.235 Base-Backbone interact. energy: 7.514 local terms energy: -524.745840 where: bonds (distance) C4'-P energy: -127.209 bonds (distance) P-C4' energy: -136.938 flat angles C4'-P-C4' energy: -147.026 flat angles P-C4'-P energy: -78.436 tors. eta vs tors. theta energy: -35.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -3080.927287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.927287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.927287 (E_RNA) where: Base-Base interactions energy: -2133.202 where: short stacking energy: -909.223 Base-Backbone interact. energy: 1.524 local terms energy: -949.249668 where: bonds (distance) C4'-P energy: -182.600 bonds (distance) P-C4' energy: -184.507 flat angles C4'-P-C4' energy: -206.672 flat angles P-C4'-P energy: -140.407 tors. eta vs tors. theta energy: -235.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -3040.353588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.353588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.353588 (E_RNA) where: Base-Base interactions energy: -2109.329 where: short stacking energy: -930.995 Base-Backbone interact. energy: 0.153 local terms energy: -931.177657 where: bonds (distance) C4'-P energy: -169.479 bonds (distance) P-C4' energy: -179.794 flat angles C4'-P-C4' energy: -212.806 flat angles P-C4'-P energy: -127.131 tors. eta vs tors. theta energy: -241.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2746.686786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.686786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.686786 (E_RNA) where: Base-Base interactions energy: -1888.926 where: short stacking energy: -819.578 Base-Backbone interact. energy: 4.222 local terms energy: -861.983425 where: bonds (distance) C4'-P energy: -165.683 bonds (distance) P-C4' energy: -175.472 flat angles C4'-P-C4' energy: -180.431 flat angles P-C4'-P energy: -137.708 tors. eta vs tors. theta energy: -202.689 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: 50 Temperature: 1.050000 Total energy: -2625.455844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.455844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.455844 (E_RNA) where: Base-Base interactions energy: -1814.488 where: short stacking energy: -798.465 Base-Backbone interact. energy: -3.916 local terms energy: -807.052037 where: bonds (distance) C4'-P energy: -153.810 bonds (distance) P-C4' energy: -164.903 flat angles C4'-P-C4' energy: -186.797 flat angles P-C4'-P energy: -112.751 tors. eta vs tors. theta energy: -188.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2404.168825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.168825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.168825 (E_RNA) where: Base-Base interactions energy: -1626.814 where: short stacking energy: -724.087 Base-Backbone interact. energy: -1.268 local terms energy: -776.087293 where: bonds (distance) C4'-P energy: -163.148 bonds (distance) P-C4' energy: -174.862 flat angles C4'-P-C4' energy: -175.441 flat angles P-C4'-P energy: -86.818 tors. eta vs tors. theta energy: -175.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -2015.701543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.701543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.701543 (E_RNA) where: Base-Base interactions energy: -1302.541 where: short stacking energy: -627.519 Base-Backbone interact. energy: -1.489 local terms energy: -711.671658 where: bonds (distance) C4'-P energy: -153.854 bonds (distance) P-C4' energy: -159.333 flat angles C4'-P-C4' energy: -168.736 flat angles P-C4'-P energy: -99.411 tors. eta vs tors. theta energy: -130.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1904.255220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.255220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.255220 (E_RNA) where: Base-Base interactions energy: -1235.152 where: short stacking energy: -560.297 Base-Backbone interact. energy: -0.831 local terms energy: -668.272753 where: bonds (distance) C4'-P energy: -158.693 bonds (distance) P-C4' energy: -156.612 flat angles C4'-P-C4' energy: -146.872 flat angles P-C4'-P energy: -105.792 tors. eta vs tors. theta energy: -100.303 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: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1904.882959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.882959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.882959 (E_RNA) where: Base-Base interactions energy: -1205.745 where: short stacking energy: -566.502 Base-Backbone interact. energy: -1.048 local terms energy: -698.090032 where: bonds (distance) C4'-P energy: -131.560 bonds (distance) P-C4' energy: -162.093 flat angles C4'-P-C4' energy: -167.339 flat angles P-C4'-P energy: -110.893 tors. eta vs tors. theta energy: -126.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1534.467092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.467092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.467092 (E_RNA) where: Base-Base interactions energy: -939.589 where: short stacking energy: -447.852 Base-Backbone interact. energy: 1.421 local terms energy: -596.299607 where: bonds (distance) C4'-P energy: -152.073 bonds (distance) P-C4' energy: -124.148 flat angles C4'-P-C4' energy: -160.177 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -71.203 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: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -1364.619538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.619538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.619538 (E_RNA) where: Base-Base interactions energy: -819.917 where: short stacking energy: -357.424 Base-Backbone interact. energy: 3.864 local terms energy: -548.565834 where: bonds (distance) C4'-P energy: -139.448 bonds (distance) P-C4' energy: -153.021 flat angles C4'-P-C4' energy: -121.586 flat angles P-C4'-P energy: -96.746 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: 5 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -3100.726372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.726372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.726372 (E_RNA) where: Base-Base interactions energy: -2132.062 where: short stacking energy: -914.901 Base-Backbone interact. energy: -8.389 local terms energy: -960.275356 where: bonds (distance) C4'-P energy: -178.929 bonds (distance) P-C4' energy: -187.420 flat angles C4'-P-C4' energy: -206.655 flat angles P-C4'-P energy: -144.649 tors. eta vs tors. theta energy: -242.624 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: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -3003.980035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.980035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.980035 (E_RNA) where: Base-Base interactions energy: -2074.080 where: short stacking energy: -886.999 Base-Backbone interact. energy: -3.796 local terms energy: -926.103949 where: bonds (distance) C4'-P energy: -166.151 bonds (distance) P-C4' energy: -201.359 flat angles C4'-P-C4' energy: -203.847 flat angles P-C4'-P energy: -130.963 tors. eta vs tors. theta energy: -223.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2735.040427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.040427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.040427 (E_RNA) where: Base-Base interactions energy: -1857.306 where: short stacking energy: -825.670 Base-Backbone interact. energy: -1.781 local terms energy: -875.953756 where: bonds (distance) C4'-P energy: -170.648 bonds (distance) P-C4' energy: -184.480 flat angles C4'-P-C4' energy: -192.481 flat angles P-C4'-P energy: -116.676 tors. eta vs tors. theta energy: -211.668 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: 51 Temperature: 1.050000 Total energy: -2599.561368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.561368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.561368 (E_RNA) where: Base-Base interactions energy: -1748.714 where: short stacking energy: -784.048 Base-Backbone interact. energy: -3.482 local terms energy: -847.365381 where: bonds (distance) C4'-P energy: -174.831 bonds (distance) P-C4' energy: -184.170 flat angles C4'-P-C4' energy: -184.633 flat angles P-C4'-P energy: -117.974 tors. eta vs tors. theta energy: -185.757 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2412.501920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.501920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.501920 (E_RNA) where: Base-Base interactions energy: -1633.241 where: short stacking energy: -729.580 Base-Backbone interact. energy: 4.274 local terms energy: -783.535233 where: bonds (distance) C4'-P energy: -140.215 bonds (distance) P-C4' energy: -186.639 flat angles C4'-P-C4' energy: -157.582 flat angles P-C4'-P energy: -119.582 tors. eta vs tors. theta energy: -179.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -2030.359007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.359007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.359007 (E_RNA) where: Base-Base interactions energy: -1306.204 where: short stacking energy: -605.894 Base-Backbone interact. energy: -1.663 local terms energy: -722.491961 where: bonds (distance) C4'-P energy: -158.085 bonds (distance) P-C4' energy: -164.423 flat angles C4'-P-C4' energy: -175.594 flat angles P-C4'-P energy: -96.218 tors. eta vs tors. theta energy: -128.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1820.070118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.070118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.070118 (E_RNA) where: Base-Base interactions energy: -1184.645 where: short stacking energy: -505.625 Base-Backbone interact. energy: 0.653 local terms energy: -636.078035 where: bonds (distance) C4'-P energy: -160.278 bonds (distance) P-C4' energy: -145.678 flat angles C4'-P-C4' energy: -152.902 flat angles P-C4'-P energy: -109.578 tors. eta vs tors. theta energy: -67.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1942.912695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.912695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.912695 (E_RNA) where: Base-Base interactions energy: -1271.833 where: short stacking energy: -589.350 Base-Backbone interact. energy: 1.559 local terms energy: -672.638778 where: bonds (distance) C4'-P energy: -145.755 bonds (distance) P-C4' energy: -166.980 flat angles C4'-P-C4' energy: -164.824 flat angles P-C4'-P energy: -79.570 tors. eta vs tors. theta energy: -115.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1559.574660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.574660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.574660 (E_RNA) where: Base-Base interactions energy: -948.009 where: short stacking energy: -452.354 Base-Backbone interact. energy: -0.072 local terms energy: -611.493560 where: bonds (distance) C4'-P energy: -136.150 bonds (distance) P-C4' energy: -161.426 flat angles C4'-P-C4' energy: -145.805 flat angles P-C4'-P energy: -102.837 tors. eta vs tors. theta energy: -65.275 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: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -1400.129987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.129987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.129987 (E_RNA) where: Base-Base interactions energy: -860.891 where: short stacking energy: -418.303 Base-Backbone interact. energy: 4.601 local terms energy: -543.840089 where: bonds (distance) C4'-P energy: -136.820 bonds (distance) P-C4' energy: -151.275 flat angles C4'-P-C4' energy: -135.049 flat angles P-C4'-P energy: -71.959 tors. eta vs tors. theta energy: -48.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -3158.493685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.493685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.493685 (E_RNA) where: Base-Base interactions energy: -2217.846 where: short stacking energy: -960.536 Base-Backbone interact. energy: -0.185 local terms energy: -940.462158 where: bonds (distance) C4'-P energy: -174.814 bonds (distance) P-C4' energy: -179.905 flat angles C4'-P-C4' energy: -213.218 flat angles P-C4'-P energy: -118.485 tors. eta vs tors. theta energy: -254.041 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: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -3044.350475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.350475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.350475 (E_RNA) where: Base-Base interactions energy: -2140.241 where: short stacking energy: -930.756 Base-Backbone interact. energy: -1.358 local terms energy: -902.751450 where: bonds (distance) C4'-P energy: -170.402 bonds (distance) P-C4' energy: -184.787 flat angles C4'-P-C4' energy: -186.281 flat angles P-C4'-P energy: -128.986 tors. eta vs tors. theta energy: -232.295 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2727.486424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.486424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.486424 (E_RNA) where: Base-Base interactions energy: -1891.650 where: short stacking energy: -838.943 Base-Backbone interact. energy: -0.559 local terms energy: -835.277740 where: bonds (distance) C4'-P energy: -161.619 bonds (distance) P-C4' energy: -158.923 flat angles C4'-P-C4' energy: -183.074 flat angles P-C4'-P energy: -124.519 tors. eta vs tors. theta energy: -207.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2644.722221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.722221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.722221 (E_RNA) where: Base-Base interactions energy: -1776.401 where: short stacking energy: -821.046 Base-Backbone interact. energy: 4.637 local terms energy: -872.957954 where: bonds (distance) C4'-P energy: -164.274 bonds (distance) P-C4' energy: -189.222 flat angles C4'-P-C4' energy: -181.089 flat angles P-C4'-P energy: -122.348 tors. eta vs tors. theta energy: -216.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2416.868288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.868288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.868288 (E_RNA) where: Base-Base interactions energy: -1638.758 where: short stacking energy: -729.140 Base-Backbone interact. energy: -4.683 local terms energy: -773.427110 where: bonds (distance) C4'-P energy: -151.690 bonds (distance) P-C4' energy: -171.856 flat angles C4'-P-C4' energy: -187.668 flat angles P-C4'-P energy: -96.360 tors. eta vs tors. theta energy: -165.853 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: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -2060.578415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.578415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.578415 (E_RNA) where: Base-Base interactions energy: -1364.803 where: short stacking energy: -635.097 Base-Backbone interact. energy: -2.419 local terms energy: -693.356025 where: bonds (distance) C4'-P energy: -137.059 bonds (distance) P-C4' energy: -177.415 flat angles C4'-P-C4' energy: -170.713 flat angles P-C4'-P energy: -74.962 tors. eta vs tors. theta energy: -133.206 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: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -2111.226645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2111.226645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2111.226645 (E_RNA) where: Base-Base interactions energy: -1385.828 where: short stacking energy: -649.186 Base-Backbone interact. energy: -0.743 local terms energy: -724.656438 where: bonds (distance) C4'-P energy: -172.552 bonds (distance) P-C4' energy: -137.358 flat angles C4'-P-C4' energy: -173.271 flat angles P-C4'-P energy: -96.390 tors. eta vs tors. theta energy: -145.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1809.058037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.058037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.058037 (E_RNA) where: Base-Base interactions energy: -1178.428 where: short stacking energy: -535.063 Base-Backbone interact. energy: 1.054 local terms energy: -631.683929 where: bonds (distance) C4'-P energy: -153.880 bonds (distance) P-C4' energy: -158.985 flat angles C4'-P-C4' energy: -146.604 flat angles P-C4'-P energy: -81.376 tors. eta vs tors. theta energy: -90.840 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: 9, replica: 2 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1586.875526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.875526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.875526 (E_RNA) where: Base-Base interactions energy: -973.796 where: short stacking energy: -504.578 Base-Backbone interact. energy: 4.352 local terms energy: -617.431518 where: bonds (distance) C4'-P energy: -147.601 bonds (distance) P-C4' energy: -156.155 flat angles C4'-P-C4' energy: -149.113 flat angles P-C4'-P energy: -86.474 tors. eta vs tors. theta energy: -78.088 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: 3 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -1369.831222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.831222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.831222 (E_RNA) where: Base-Base interactions energy: -816.204 where: short stacking energy: -408.032 Base-Backbone interact. energy: 6.117 local terms energy: -559.743933 where: bonds (distance) C4'-P energy: -131.880 bonds (distance) P-C4' energy: -157.446 flat angles C4'-P-C4' energy: -141.730 flat angles P-C4'-P energy: -82.575 tors. eta vs tors. theta energy: -46.113 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: 5 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -3091.704609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.704609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.704609 (E_RNA) where: Base-Base interactions energy: -2143.539 where: short stacking energy: -924.688 Base-Backbone interact. energy: -4.695 local terms energy: -943.470655 where: bonds (distance) C4'-P energy: -192.612 bonds (distance) P-C4' energy: -182.488 flat angles C4'-P-C4' energy: -201.857 flat angles P-C4'-P energy: -123.605 tors. eta vs tors. theta energy: -242.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2982.159057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.159057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.159057 (E_RNA) where: Base-Base interactions energy: -2065.309 where: short stacking energy: -916.895 Base-Backbone interact. energy: -4.056 local terms energy: -912.794723 where: bonds (distance) C4'-P energy: -169.193 bonds (distance) P-C4' energy: -165.666 flat angles C4'-P-C4' energy: -214.694 flat angles P-C4'-P energy: -128.191 tors. eta vs tors. theta energy: -235.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2788.063710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.063710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.063710 (E_RNA) where: Base-Base interactions energy: -1872.496 where: short stacking energy: -823.542 Base-Backbone interact. energy: -1.222 local terms energy: -914.345886 where: bonds (distance) C4'-P energy: -190.591 bonds (distance) P-C4' energy: -187.745 flat angles C4'-P-C4' energy: -194.077 flat angles P-C4'-P energy: -122.971 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: 4 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2637.143315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.143315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.143315 (E_RNA) where: Base-Base interactions energy: -1820.983 where: short stacking energy: -785.830 Base-Backbone interact. energy: -0.943 local terms energy: -815.216645 where: bonds (distance) C4'-P energy: -171.074 bonds (distance) P-C4' energy: -166.678 flat angles C4'-P-C4' energy: -169.186 flat angles P-C4'-P energy: -117.371 tors. eta vs tors. theta energy: -190.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2430.870068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.870068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.870068 (E_RNA) where: Base-Base interactions energy: -1650.582 where: short stacking energy: -706.995 Base-Backbone interact. energy: 1.121 local terms energy: -781.409042 where: bonds (distance) C4'-P energy: -174.777 bonds (distance) P-C4' energy: -158.245 flat angles C4'-P-C4' energy: -184.787 flat angles P-C4'-P energy: -100.127 tors. eta vs tors. theta energy: -163.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -2279.307818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.307818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.307818 (E_RNA) where: Base-Base interactions energy: -1521.329 where: short stacking energy: -714.081 Base-Backbone interact. energy: -4.254 local terms energy: -753.724592 where: bonds (distance) C4'-P energy: -148.733 bonds (distance) P-C4' energy: -163.199 flat angles C4'-P-C4' energy: -168.186 flat angles P-C4'-P energy: -108.926 tors. eta vs tors. theta energy: -164.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -2009.230365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.230365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.230365 (E_RNA) where: Base-Base interactions energy: -1272.937 where: short stacking energy: -582.673 Base-Backbone interact. energy: 0.068 local terms energy: -736.361134 where: bonds (distance) C4'-P energy: -153.682 bonds (distance) P-C4' energy: -180.918 flat angles C4'-P-C4' energy: -178.109 flat angles P-C4'-P energy: -107.840 tors. eta vs tors. theta energy: -115.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1742.942332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.942332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.942332 (E_RNA) where: Base-Base interactions energy: -1120.141 where: short stacking energy: -544.292 Base-Backbone interact. energy: 4.432 local terms energy: -627.233405 where: bonds (distance) C4'-P energy: -143.462 bonds (distance) P-C4' energy: -157.165 flat angles C4'-P-C4' energy: -139.347 flat angles P-C4'-P energy: -87.667 tors. eta vs tors. theta energy: -99.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1702.775992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.775992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.775992 (E_RNA) where: Base-Base interactions energy: -1077.010 where: short stacking energy: -496.013 Base-Backbone interact. energy: -3.108 local terms energy: -622.657997 where: bonds (distance) C4'-P energy: -146.203 bonds (distance) P-C4' energy: -155.277 flat angles C4'-P-C4' energy: -168.169 flat angles P-C4'-P energy: -77.903 tors. eta vs tors. theta energy: -75.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -1461.840334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.840334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.840334 (E_RNA) where: Base-Base interactions energy: -908.874 where: short stacking energy: -419.376 Base-Backbone interact. energy: 1.832 local terms energy: -554.798222 where: bonds (distance) C4'-P energy: -136.146 bonds (distance) P-C4' energy: -130.023 flat angles C4'-P-C4' energy: -147.969 flat angles P-C4'-P energy: -80.236 tors. eta vs tors. theta energy: -60.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -3121.554884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.554884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.554884 (E_RNA) where: Base-Base interactions energy: -2175.092 where: short stacking energy: -934.132 Base-Backbone interact. energy: -5.284 local terms energy: -941.178805 where: bonds (distance) C4'-P energy: -177.484 bonds (distance) P-C4' energy: -190.850 flat angles C4'-P-C4' energy: -209.450 flat angles P-C4'-P energy: -119.819 tors. eta vs tors. theta energy: -243.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -3012.961255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.961255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.961255 (E_RNA) where: Base-Base interactions energy: -2086.378 where: short stacking energy: -905.256 Base-Backbone interact. energy: -7.458 local terms energy: -919.124813 where: bonds (distance) C4'-P energy: -160.652 bonds (distance) P-C4' energy: -192.719 flat angles C4'-P-C4' energy: -203.599 flat angles P-C4'-P energy: -129.781 tors. eta vs tors. theta energy: -232.374 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: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2748.483675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.483675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.483675 (E_RNA) where: Base-Base interactions energy: -1866.263 where: short stacking energy: -846.572 Base-Backbone interact. energy: -6.976 local terms energy: -875.244399 where: bonds (distance) C4'-P energy: -171.842 bonds (distance) P-C4' energy: -180.270 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -126.126 tors. eta vs tors. theta energy: -223.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2620.499041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.499041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.499041 (E_RNA) where: Base-Base interactions energy: -1807.318 where: short stacking energy: -763.907 Base-Backbone interact. energy: -3.273 local terms energy: -809.908263 where: bonds (distance) C4'-P energy: -170.703 bonds (distance) P-C4' energy: -162.942 flat angles C4'-P-C4' energy: -181.328 flat angles P-C4'-P energy: -104.909 tors. eta vs tors. theta energy: -190.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2433.440840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.440840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.440840 (E_RNA) where: Base-Base interactions energy: -1670.277 where: short stacking energy: -745.437 Base-Backbone interact. energy: -3.560 local terms energy: -759.603360 where: bonds (distance) C4'-P energy: -150.171 bonds (distance) P-C4' energy: -167.449 flat angles C4'-P-C4' energy: -165.075 flat angles P-C4'-P energy: -94.613 tors. eta vs tors. theta energy: -182.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -2341.500521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.500521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.500521 (E_RNA) where: Base-Base interactions energy: -1541.844 where: short stacking energy: -679.166 Base-Backbone interact. energy: 2.029 local terms energy: -801.685823 where: bonds (distance) C4'-P energy: -171.184 bonds (distance) P-C4' energy: -158.067 flat angles C4'-P-C4' energy: -183.895 flat angles P-C4'-P energy: -112.583 tors. eta vs tors. theta energy: -175.957 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: 9 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1910.707766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.707766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.707766 (E_RNA) where: Base-Base interactions energy: -1258.571 where: short stacking energy: -544.866 Base-Backbone interact. energy: -1.824 local terms energy: -650.312578 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -175.431 flat angles P-C4'-P energy: -77.884 tors. eta vs tors. theta energy: -86.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1747.405824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.405824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.405824 (E_RNA) where: Base-Base interactions energy: -1118.061 where: short stacking energy: -542.530 Base-Backbone interact. energy: -0.960 local terms energy: -628.383967 where: bonds (distance) C4'-P energy: -158.011 bonds (distance) P-C4' energy: -136.031 flat angles C4'-P-C4' energy: -132.222 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -91.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1699.113724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.113724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.113724 (E_RNA) where: Base-Base interactions energy: -1108.034 where: short stacking energy: -494.331 Base-Backbone interact. energy: 5.237 local terms energy: -596.316847 where: bonds (distance) C4'-P energy: -148.187 bonds (distance) P-C4' energy: -149.610 flat angles C4'-P-C4' energy: -141.974 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -77.337 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: 10, replica: 3 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -1425.442531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.442531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.442531 (E_RNA) where: Base-Base interactions energy: -882.367 where: short stacking energy: -427.763 Base-Backbone interact. energy: 0.349 local terms energy: -543.424842 where: bonds (distance) C4'-P energy: -134.605 bonds (distance) P-C4' energy: -154.856 flat angles C4'-P-C4' energy: -122.867 flat angles P-C4'-P energy: -68.585 tors. eta vs tors. theta energy: -62.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -3084.626031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.626031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.626031 (E_RNA) where: Base-Base interactions energy: -2149.947 where: short stacking energy: -950.664 Base-Backbone interact. energy: -7.241 local terms energy: -927.438526 where: bonds (distance) C4'-P energy: -175.404 bonds (distance) P-C4' energy: -182.575 flat angles C4'-P-C4' energy: -191.287 flat angles P-C4'-P energy: -135.721 tors. eta vs tors. theta energy: -242.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2969.333347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.333347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.333347 (E_RNA) where: Base-Base interactions energy: -2066.537 where: short stacking energy: -877.969 Base-Backbone interact. energy: -1.334 local terms energy: -901.462070 where: bonds (distance) C4'-P energy: -172.704 bonds (distance) P-C4' energy: -181.600 flat angles C4'-P-C4' energy: -187.541 flat angles P-C4'-P energy: -137.543 tors. eta vs tors. theta energy: -222.074 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: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2703.691785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.691785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.691785 (E_RNA) where: Base-Base interactions energy: -1828.300 where: short stacking energy: -828.817 Base-Backbone interact. energy: -2.989 local terms energy: -872.403192 where: bonds (distance) C4'-P energy: -174.243 bonds (distance) P-C4' energy: -179.553 flat angles C4'-P-C4' energy: -187.961 flat angles P-C4'-P energy: -121.652 tors. eta vs tors. theta energy: -208.994 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: 4, replica: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2595.321635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.321635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.321635 (E_RNA) where: Base-Base interactions energy: -1756.551 where: short stacking energy: -768.901 Base-Backbone interact. energy: 0.512 local terms energy: -839.282126 where: bonds (distance) C4'-P energy: -163.142 bonds (distance) P-C4' energy: -181.300 flat angles C4'-P-C4' energy: -194.534 flat angles P-C4'-P energy: -118.965 tors. eta vs tors. theta energy: -181.341 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: 6 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2445.640506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.640506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.640506 (E_RNA) where: Base-Base interactions energy: -1638.652 where: short stacking energy: -730.291 Base-Backbone interact. energy: -3.574 local terms energy: -803.414596 where: bonds (distance) C4'-P energy: -153.434 bonds (distance) P-C4' energy: -175.121 flat angles C4'-P-C4' energy: -182.669 flat angles P-C4'-P energy: -121.578 tors. eta vs tors. theta energy: -170.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -2301.124885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.124885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.124885 (E_RNA) where: Base-Base interactions energy: -1532.860 where: short stacking energy: -706.837 Base-Backbone interact. energy: -4.101 local terms energy: -764.163245 where: bonds (distance) C4'-P energy: -138.692 bonds (distance) P-C4' energy: -161.797 flat angles C4'-P-C4' energy: -178.007 flat angles P-C4'-P energy: -117.969 tors. eta vs tors. theta energy: -167.698 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: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1909.606334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.606334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.606334 (E_RNA) where: Base-Base interactions energy: -1197.686 where: short stacking energy: -559.517 Base-Backbone interact. energy: 1.992 local terms energy: -713.912336 where: bonds (distance) C4'-P energy: -160.629 bonds (distance) P-C4' energy: -172.748 flat angles C4'-P-C4' energy: -164.449 flat angles P-C4'-P energy: -96.772 tors. eta vs tors. theta energy: -119.316 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: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1905.863179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.863179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.863179 (E_RNA) where: Base-Base interactions energy: -1220.979 where: short stacking energy: -540.329 Base-Backbone interact. energy: -3.997 local terms energy: -680.887273 where: bonds (distance) C4'-P energy: -166.480 bonds (distance) P-C4' energy: -164.587 flat angles C4'-P-C4' energy: -157.008 flat angles P-C4'-P energy: -80.695 tors. eta vs tors. theta energy: -112.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1675.534394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.534394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.534394 (E_RNA) where: Base-Base interactions energy: -1047.084 where: short stacking energy: -490.168 Base-Backbone interact. energy: 12.075 local terms energy: -640.525605 where: bonds (distance) C4'-P energy: -144.177 bonds (distance) P-C4' energy: -172.482 flat angles C4'-P-C4' energy: -176.369 flat angles P-C4'-P energy: -79.847 tors. eta vs tors. theta energy: -67.651 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: 10, replica: 3 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -1441.651242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.651242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.651242 (E_RNA) where: Base-Base interactions energy: -878.132 where: short stacking energy: -419.006 Base-Backbone interact. energy: 1.788 local terms energy: -565.307304 where: bonds (distance) C4'-P energy: -133.371 bonds (distance) P-C4' energy: -159.714 flat angles C4'-P-C4' energy: -126.427 flat angles P-C4'-P energy: -89.533 tors. eta vs tors. theta energy: -56.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -3065.644386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.644386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.644386 (E_RNA) where: Base-Base interactions energy: -2142.632 where: short stacking energy: -921.853 Base-Backbone interact. energy: -1.859 local terms energy: -921.152876 where: bonds (distance) C4'-P energy: -169.412 bonds (distance) P-C4' energy: -193.992 flat angles C4'-P-C4' energy: -198.122 flat angles P-C4'-P energy: -121.405 tors. eta vs tors. theta energy: -238.221 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: 8 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2934.437750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.437750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.437750 (E_RNA) where: Base-Base interactions energy: -2024.802 where: short stacking energy: -865.802 Base-Backbone interact. energy: 0.089 local terms energy: -909.724635 where: bonds (distance) C4'-P energy: -172.103 bonds (distance) P-C4' energy: -190.178 flat angles C4'-P-C4' energy: -183.075 flat angles P-C4'-P energy: -134.170 tors. eta vs tors. theta energy: -230.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2785.935859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.935859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.935859 (E_RNA) where: Base-Base interactions energy: -1897.030 where: short stacking energy: -848.302 Base-Backbone interact. energy: -4.231 local terms energy: -884.674225 where: bonds (distance) C4'-P energy: -172.029 bonds (distance) P-C4' energy: -191.119 flat angles C4'-P-C4' energy: -182.281 flat angles P-C4'-P energy: -130.261 tors. eta vs tors. theta energy: -208.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2663.687938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.687938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.687938 (E_RNA) where: Base-Base interactions energy: -1792.406 where: short stacking energy: -796.696 Base-Backbone interact. energy: -1.045 local terms energy: -870.236935 where: bonds (distance) C4'-P energy: -174.354 bonds (distance) P-C4' energy: -177.979 flat angles C4'-P-C4' energy: -183.003 flat angles P-C4'-P energy: -130.442 tors. eta vs tors. theta energy: -204.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2489.991189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.991189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.991189 (E_RNA) where: Base-Base interactions energy: -1672.638 where: short stacking energy: -715.998 Base-Backbone interact. energy: 3.086 local terms energy: -820.438306 where: bonds (distance) C4'-P energy: -168.996 bonds (distance) P-C4' energy: -184.660 flat angles C4'-P-C4' energy: -186.018 flat angles P-C4'-P energy: -103.178 tors. eta vs tors. theta energy: -177.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2322.580340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.580340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.580340 (E_RNA) where: Base-Base interactions energy: -1553.928 where: short stacking energy: -724.030 Base-Backbone interact. energy: -4.655 local terms energy: -763.997811 where: bonds (distance) C4'-P energy: -141.339 bonds (distance) P-C4' energy: -170.741 flat angles C4'-P-C4' energy: -185.570 flat angles P-C4'-P energy: -113.838 tors. eta vs tors. theta energy: -152.510 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: 2 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1950.552389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.552389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.552389 (E_RNA) where: Base-Base interactions energy: -1262.415 where: short stacking energy: -579.855 Base-Backbone interact. energy: 0.619 local terms energy: -688.756677 where: bonds (distance) C4'-P energy: -150.107 bonds (distance) P-C4' energy: -154.257 flat angles C4'-P-C4' energy: -176.220 flat angles P-C4'-P energy: -99.687 tors. eta vs tors. theta energy: -108.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1693.213654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.213654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.213654 (E_RNA) where: Base-Base interactions energy: -1062.274 where: short stacking energy: -513.042 Base-Backbone interact. energy: 4.202 local terms energy: -635.141719 where: bonds (distance) C4'-P energy: -150.203 bonds (distance) P-C4' energy: -150.722 flat angles C4'-P-C4' energy: -148.774 flat angles P-C4'-P energy: -94.192 tors. eta vs tors. theta energy: -91.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1737.466999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.466999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.466999 (E_RNA) where: Base-Base interactions energy: -1145.973 where: short stacking energy: -507.749 Base-Backbone interact. energy: 0.207 local terms energy: -591.700682 where: bonds (distance) C4'-P energy: -156.315 bonds (distance) P-C4' energy: -139.276 flat angles C4'-P-C4' energy: -138.148 flat angles P-C4'-P energy: -93.242 tors. eta vs tors. theta energy: -64.720 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: 3 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -1389.321165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.321165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.321165 (E_RNA) where: Base-Base interactions energy: -887.855 where: short stacking energy: -406.563 Base-Backbone interact. energy: 2.340 local terms energy: -503.806176 where: bonds (distance) C4'-P energy: -133.927 bonds (distance) P-C4' energy: -151.787 flat angles C4'-P-C4' energy: -131.924 flat angles P-C4'-P energy: -30.451 tors. eta vs tors. theta energy: -55.717 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: 1, replica: 5 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -3073.068384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.068384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.068384 (E_RNA) where: Base-Base interactions energy: -2137.515 where: short stacking energy: -926.425 Base-Backbone interact. energy: -2.794 local terms energy: -932.759136 where: bonds (distance) C4'-P energy: -179.594 bonds (distance) P-C4' energy: -173.793 flat angles C4'-P-C4' energy: -210.035 flat angles P-C4'-P energy: -139.016 tors. eta vs tors. theta energy: -230.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2990.826604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.826604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.826604 (E_RNA) where: Base-Base interactions energy: -2086.247 where: short stacking energy: -891.875 Base-Backbone interact. energy: -3.021 local terms energy: -901.558428 where: bonds (distance) C4'-P energy: -150.452 bonds (distance) P-C4' energy: -177.344 flat angles C4'-P-C4' energy: -199.481 flat angles P-C4'-P energy: -136.193 tors. eta vs tors. theta energy: -238.089 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: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2793.862351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.862351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.862351 (E_RNA) where: Base-Base interactions energy: -1918.981 where: short stacking energy: -856.143 Base-Backbone interact. energy: -0.588 local terms energy: -874.293851 where: bonds (distance) C4'-P energy: -185.105 bonds (distance) P-C4' energy: -166.204 flat angles C4'-P-C4' energy: -191.108 flat angles P-C4'-P energy: -117.776 tors. eta vs tors. theta energy: -214.100 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: 4 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2763.169519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.169519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.169519 (E_RNA) where: Base-Base interactions energy: -1888.156 where: short stacking energy: -828.615 Base-Backbone interact. energy: -1.020 local terms energy: -873.993578 where: bonds (distance) C4'-P energy: -161.055 bonds (distance) P-C4' energy: -167.135 flat angles C4'-P-C4' energy: -198.307 flat angles P-C4'-P energy: -123.513 tors. eta vs tors. theta energy: -223.983 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: 6 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2515.355834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.355834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.355834 (E_RNA) where: Base-Base interactions energy: -1703.498 where: short stacking energy: -747.898 Base-Backbone interact. energy: -5.649 local terms energy: -806.208702 where: bonds (distance) C4'-P energy: -173.601 bonds (distance) P-C4' energy: -162.318 flat angles C4'-P-C4' energy: -171.786 flat angles P-C4'-P energy: -113.487 tors. eta vs tors. theta energy: -185.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2387.943095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.943095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.943095 (E_RNA) where: Base-Base interactions energy: -1588.768 where: short stacking energy: -736.590 Base-Backbone interact. energy: -2.143 local terms energy: -797.031537 where: bonds (distance) C4'-P energy: -158.545 bonds (distance) P-C4' energy: -159.365 flat angles C4'-P-C4' energy: -172.990 flat angles P-C4'-P energy: -119.169 tors. eta vs tors. theta energy: -186.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1949.629239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.629239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.629239 (E_RNA) where: Base-Base interactions energy: -1284.842 where: short stacking energy: -601.416 Base-Backbone interact. energy: 2.982 local terms energy: -667.769123 where: bonds (distance) C4'-P energy: -130.485 bonds (distance) P-C4' energy: -158.344 flat angles C4'-P-C4' energy: -166.982 flat angles P-C4'-P energy: -97.363 tors. eta vs tors. theta energy: -114.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1904.989163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.989163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.989163 (E_RNA) where: Base-Base interactions energy: -1225.607 where: short stacking energy: -570.019 Base-Backbone interact. energy: -1.048 local terms energy: -678.333757 where: bonds (distance) C4'-P energy: -161.905 bonds (distance) P-C4' energy: -174.157 flat angles C4'-P-C4' energy: -162.277 flat angles P-C4'-P energy: -95.794 tors. eta vs tors. theta energy: -84.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1658.346592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.346592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.346592 (E_RNA) where: Base-Base interactions energy: -1082.884 where: short stacking energy: -504.037 Base-Backbone interact. energy: 4.286 local terms energy: -579.748955 where: bonds (distance) C4'-P energy: -118.056 bonds (distance) P-C4' energy: -157.685 flat angles C4'-P-C4' energy: -169.978 flat angles P-C4'-P energy: -63.170 tors. eta vs tors. theta energy: -70.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -1321.180925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.180925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.180925 (E_RNA) where: Base-Base interactions energy: -799.799 where: short stacking energy: -367.899 Base-Backbone interact. energy: 0.814 local terms energy: -522.196327 where: bonds (distance) C4'-P energy: -144.219 bonds (distance) P-C4' energy: -141.052 flat angles C4'-P-C4' energy: -130.589 flat angles P-C4'-P energy: -87.252 tors. eta vs tors. theta energy: -19.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -3093.186153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.186153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.186153 (E_RNA) where: Base-Base interactions energy: -2121.736 where: short stacking energy: -932.621 Base-Backbone interact. energy: -3.743 local terms energy: -967.707640 where: bonds (distance) C4'-P energy: -186.999 bonds (distance) P-C4' energy: -180.181 flat angles C4'-P-C4' energy: -222.061 flat angles P-C4'-P energy: -146.601 tors. eta vs tors. theta energy: -231.866 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: 8 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2979.476815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.476815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.476815 (E_RNA) where: Base-Base interactions energy: -2033.502 where: short stacking energy: -885.186 Base-Backbone interact. energy: -2.127 local terms energy: -943.847206 where: bonds (distance) C4'-P energy: -184.383 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -202.709 flat angles P-C4'-P energy: -148.926 tors. eta vs tors. theta energy: -232.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2797.432970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.432970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.432970 (E_RNA) where: Base-Base interactions energy: -1922.716 where: short stacking energy: -842.053 Base-Backbone interact. energy: -1.427 local terms energy: -873.290245 where: bonds (distance) C4'-P energy: -175.409 bonds (distance) P-C4' energy: -169.549 flat angles C4'-P-C4' energy: -181.249 flat angles P-C4'-P energy: -125.237 tors. eta vs tors. theta energy: -221.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2730.189270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.189270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.189270 (E_RNA) where: Base-Base interactions energy: -1843.792 where: short stacking energy: -836.951 Base-Backbone interact. energy: 2.194 local terms energy: -888.590781 where: bonds (distance) C4'-P energy: -173.403 bonds (distance) P-C4' energy: -181.397 flat angles C4'-P-C4' energy: -201.740 flat angles P-C4'-P energy: -106.607 tors. eta vs tors. theta energy: -225.443 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: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2552.980378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.980378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.980378 (E_RNA) where: Base-Base interactions energy: -1754.391 where: short stacking energy: -737.863 Base-Backbone interact. energy: -1.806 local terms energy: -796.782923 where: bonds (distance) C4'-P energy: -152.912 bonds (distance) P-C4' energy: -164.180 flat angles C4'-P-C4' energy: -189.369 flat angles P-C4'-P energy: -116.345 tors. eta vs tors. theta energy: -173.976 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: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -2342.712644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.712644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.712644 (E_RNA) where: Base-Base interactions energy: -1567.141 where: short stacking energy: -731.919 Base-Backbone interact. energy: -2.526 local terms energy: -773.045518 where: bonds (distance) C4'-P energy: -156.469 bonds (distance) P-C4' energy: -160.095 flat angles C4'-P-C4' energy: -172.425 flat angles P-C4'-P energy: -114.941 tors. eta vs tors. theta energy: -169.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -2039.541150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.541150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.541150 (E_RNA) where: Base-Base interactions energy: -1324.917 where: short stacking energy: -626.988 Base-Backbone interact. energy: -3.346 local terms energy: -711.277802 where: bonds (distance) C4'-P energy: -140.450 bonds (distance) P-C4' energy: -165.925 flat angles C4'-P-C4' energy: -162.283 flat angles P-C4'-P energy: -94.468 tors. eta vs tors. theta energy: -148.152 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: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1882.046643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.046643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.046643 (E_RNA) where: Base-Base interactions energy: -1227.611 where: short stacking energy: -561.859 Base-Backbone interact. energy: -4.804 local terms energy: -649.631687 where: bonds (distance) C4'-P energy: -144.531 bonds (distance) P-C4' energy: -151.276 flat angles C4'-P-C4' energy: -145.609 flat angles P-C4'-P energy: -98.941 tors. eta vs tors. theta energy: -109.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1477.265482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.265482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.265482 (E_RNA) where: Base-Base interactions energy: -942.590 where: short stacking energy: -434.030 Base-Backbone interact. energy: -0.594 local terms energy: -534.080905 where: bonds (distance) C4'-P energy: -136.860 bonds (distance) P-C4' energy: -147.318 flat angles C4'-P-C4' energy: -136.433 flat angles P-C4'-P energy: -48.856 tors. eta vs tors. theta energy: -64.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -1260.164005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.164005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.164005 (E_RNA) where: Base-Base interactions energy: -737.323 where: short stacking energy: -365.956 Base-Backbone interact. energy: -0.104 local terms energy: -522.737000 where: bonds (distance) C4'-P energy: -141.777 bonds (distance) P-C4' energy: -154.680 flat angles C4'-P-C4' energy: -143.816 flat angles P-C4'-P energy: -56.677 tors. eta vs tors. theta energy: -25.787 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: 5 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -3110.578355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.578355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.578355 (E_RNA) where: Base-Base interactions energy: -2147.970 where: short stacking energy: -947.142 Base-Backbone interact. energy: -7.339 local terms energy: -955.269038 where: bonds (distance) C4'-P energy: -164.499 bonds (distance) P-C4' energy: -184.163 flat angles C4'-P-C4' energy: -224.129 flat angles P-C4'-P energy: -131.417 tors. eta vs tors. theta energy: -251.061 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: 2, replica: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2959.214357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.214357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.214357 (E_RNA) where: Base-Base interactions energy: -2046.756 where: short stacking energy: -905.676 Base-Backbone interact. energy: -6.409 local terms energy: -906.049169 where: bonds (distance) C4'-P energy: -180.451 bonds (distance) P-C4' energy: -162.047 flat angles C4'-P-C4' energy: -197.398 flat angles P-C4'-P energy: -125.158 tors. eta vs tors. theta energy: -240.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2787.020031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.020031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.020031 (E_RNA) where: Base-Base interactions energy: -1916.127 where: short stacking energy: -837.526 Base-Backbone interact. energy: -3.521 local terms energy: -867.371694 where: bonds (distance) C4'-P energy: -164.379 bonds (distance) P-C4' energy: -199.304 flat angles C4'-P-C4' energy: -188.376 flat angles P-C4'-P energy: -123.560 tors. eta vs tors. theta energy: -191.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2727.086799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.086799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.086799 (E_RNA) where: Base-Base interactions energy: -1894.750 where: short stacking energy: -820.711 Base-Backbone interact. energy: -5.496 local terms energy: -826.840774 where: bonds (distance) C4'-P energy: -166.788 bonds (distance) P-C4' energy: -150.756 flat angles C4'-P-C4' energy: -186.967 flat angles P-C4'-P energy: -113.819 tors. eta vs tors. theta energy: -208.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2513.220842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.220842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.220842 (E_RNA) where: Base-Base interactions energy: -1688.755 where: short stacking energy: -766.955 Base-Backbone interact. energy: 0.886 local terms energy: -825.352008 where: bonds (distance) C4'-P energy: -176.631 bonds (distance) P-C4' energy: -152.809 flat angles C4'-P-C4' energy: -182.763 flat angles P-C4'-P energy: -120.306 tors. eta vs tors. theta energy: -192.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -2333.560386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.560386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.560386 (E_RNA) where: Base-Base interactions energy: -1547.544 where: short stacking energy: -707.369 Base-Backbone interact. energy: 0.347 local terms energy: -786.363009 where: bonds (distance) C4'-P energy: -151.923 bonds (distance) P-C4' energy: -181.101 flat angles C4'-P-C4' energy: -183.246 flat angles P-C4'-P energy: -110.575 tors. eta vs tors. theta energy: -159.517 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: 10 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -2011.352566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.352566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.352566 (E_RNA) where: Base-Base interactions energy: -1346.699 where: short stacking energy: -614.214 Base-Backbone interact. energy: -0.549 local terms energy: -664.104218 where: bonds (distance) C4'-P energy: -115.760 bonds (distance) P-C4' energy: -165.232 flat angles C4'-P-C4' energy: -172.011 flat angles P-C4'-P energy: -98.140 tors. eta vs tors. theta energy: -112.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1869.658243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.658243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.658243 (E_RNA) where: Base-Base interactions energy: -1210.060 where: short stacking energy: -542.487 Base-Backbone interact. energy: -1.050 local terms energy: -658.548447 where: bonds (distance) C4'-P energy: -158.153 bonds (distance) P-C4' energy: -144.117 flat angles C4'-P-C4' energy: -150.796 flat angles P-C4'-P energy: -108.690 tors. eta vs tors. theta energy: -96.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1503.497948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.497948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.497948 (E_RNA) where: Base-Base interactions energy: -884.132 where: short stacking energy: -415.902 Base-Backbone interact. energy: 2.936 local terms energy: -622.301944 where: bonds (distance) C4'-P energy: -157.188 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -165.578 flat angles P-C4'-P energy: -82.839 tors. eta vs tors. theta energy: -52.442 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: 3 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -1219.250016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.250016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.250016 (E_RNA) where: Base-Base interactions energy: -681.843 where: short stacking energy: -369.661 Base-Backbone interact. energy: -3.829 local terms energy: -533.578926 where: bonds (distance) C4'-P energy: -134.402 bonds (distance) P-C4' energy: -141.664 flat angles C4'-P-C4' energy: -121.937 flat angles P-C4'-P energy: -104.780 tors. eta vs tors. theta energy: -30.796 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: 5 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -3115.923762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.923762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.923762 (E_RNA) where: Base-Base interactions energy: -2155.531 where: short stacking energy: -921.330 Base-Backbone interact. energy: -5.140 local terms energy: -955.252942 where: bonds (distance) C4'-P energy: -193.941 bonds (distance) P-C4' energy: -176.107 flat angles C4'-P-C4' energy: -211.104 flat angles P-C4'-P energy: -139.236 tors. eta vs tors. theta energy: -234.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2954.985054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.985054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.985054 (E_RNA) where: Base-Base interactions energy: -2033.164 where: short stacking energy: -879.572 Base-Backbone interact. energy: -6.004 local terms energy: -915.817011 where: bonds (distance) C4'-P energy: -183.116 bonds (distance) P-C4' energy: -173.075 flat angles C4'-P-C4' energy: -211.438 flat angles P-C4'-P energy: -123.708 tors. eta vs tors. theta energy: -224.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2841.102074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.102074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.102074 (E_RNA) where: Base-Base interactions energy: -1893.240 where: short stacking energy: -856.269 Base-Backbone interact. energy: -2.752 local terms energy: -945.110244 where: bonds (distance) C4'-P energy: -200.318 bonds (distance) P-C4' energy: -186.655 flat angles C4'-P-C4' energy: -188.639 flat angles P-C4'-P energy: -131.393 tors. eta vs tors. theta energy: -238.106 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: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2753.772277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.772277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.772277 (E_RNA) where: Base-Base interactions energy: -1901.570 where: short stacking energy: -845.838 Base-Backbone interact. energy: -2.805 local terms energy: -849.397013 where: bonds (distance) C4'-P energy: -165.426 bonds (distance) P-C4' energy: -165.118 flat angles C4'-P-C4' energy: -188.744 flat angles P-C4'-P energy: -127.575 tors. eta vs tors. theta energy: -202.533 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: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2529.164552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.164552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.164552 (E_RNA) where: Base-Base interactions energy: -1730.450 where: short stacking energy: -740.475 Base-Backbone interact. energy: -2.357 local terms energy: -796.356968 where: bonds (distance) C4'-P energy: -157.621 bonds (distance) P-C4' energy: -159.060 flat angles C4'-P-C4' energy: -170.381 flat angles P-C4'-P energy: -122.007 tors. eta vs tors. theta energy: -187.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2305.353527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.353527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.353527 (E_RNA) where: Base-Base interactions energy: -1503.119 where: short stacking energy: -705.832 Base-Backbone interact. energy: -1.705 local terms energy: -800.529846 where: bonds (distance) C4'-P energy: -169.789 bonds (distance) P-C4' energy: -176.504 flat angles C4'-P-C4' energy: -180.328 flat angles P-C4'-P energy: -117.993 tors. eta vs tors. theta energy: -155.917 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: 10 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -2071.107696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.107696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.107696 (E_RNA) where: Base-Base interactions energy: -1370.556 where: short stacking energy: -581.666 Base-Backbone interact. energy: -2.271 local terms energy: -698.281253 where: bonds (distance) C4'-P energy: -146.614 bonds (distance) P-C4' energy: -159.864 flat angles C4'-P-C4' energy: -176.267 flat angles P-C4'-P energy: -93.702 tors. eta vs tors. theta energy: -121.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1791.617077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.617077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.617077 (E_RNA) where: Base-Base interactions energy: -1145.839 where: short stacking energy: -546.670 Base-Backbone interact. energy: 1.406 local terms energy: -647.183460 where: bonds (distance) C4'-P energy: -141.420 bonds (distance) P-C4' energy: -166.228 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -88.640 tors. eta vs tors. theta energy: -94.653 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: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1430.286681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.286681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.286681 (E_RNA) where: Base-Base interactions energy: -881.389 where: short stacking energy: -416.219 Base-Backbone interact. energy: 2.115 local terms energy: -551.012665 where: bonds (distance) C4'-P energy: -153.622 bonds (distance) P-C4' energy: -161.875 flat angles C4'-P-C4' energy: -121.870 flat angles P-C4'-P energy: -78.622 tors. eta vs tors. theta energy: -35.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -1110.303658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.303658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.303658 (E_RNA) where: Base-Base interactions energy: -600.877 where: short stacking energy: -360.601 Base-Backbone interact. energy: 0.807 local terms energy: -510.233578 where: bonds (distance) C4'-P energy: -152.347 bonds (distance) P-C4' energy: -146.471 flat angles C4'-P-C4' energy: -125.517 flat angles P-C4'-P energy: -73.986 tors. eta vs tors. theta energy: -11.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -3111.288903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.288903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.288903 (E_RNA) where: Base-Base interactions energy: -2152.977 where: short stacking energy: -947.293 Base-Backbone interact. energy: -5.236 local terms energy: -953.076228 where: bonds (distance) C4'-P energy: -181.420 bonds (distance) P-C4' energy: -182.717 flat angles C4'-P-C4' energy: -201.971 flat angles P-C4'-P energy: -135.070 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: 8 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2984.459667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.459667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.459667 (E_RNA) where: Base-Base interactions energy: -2048.870 where: short stacking energy: -886.113 Base-Backbone interact. energy: 2.779 local terms energy: -938.369176 where: bonds (distance) C4'-P energy: -182.501 bonds (distance) P-C4' energy: -180.673 flat angles C4'-P-C4' energy: -213.032 flat angles P-C4'-P energy: -131.690 tors. eta vs tors. theta energy: -230.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2797.673732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.673732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.673732 (E_RNA) where: Base-Base interactions energy: -1924.230 where: short stacking energy: -851.879 Base-Backbone interact. energy: -1.670 local terms energy: -871.773452 where: bonds (distance) C4'-P energy: -156.270 bonds (distance) P-C4' energy: -181.731 flat angles C4'-P-C4' energy: -204.377 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -223.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2670.782058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.782058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.782058 (E_RNA) where: Base-Base interactions energy: -1814.846 where: short stacking energy: -790.721 Base-Backbone interact. energy: -2.581 local terms energy: -853.355145 where: bonds (distance) C4'-P energy: -174.761 bonds (distance) P-C4' energy: -180.233 flat angles C4'-P-C4' energy: -175.996 flat angles P-C4'-P energy: -125.658 tors. eta vs tors. theta energy: -196.707 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: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2566.336473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.336473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.336473 (E_RNA) where: Base-Base interactions energy: -1755.476 where: short stacking energy: -759.234 Base-Backbone interact. energy: -1.182 local terms energy: -809.678321 where: bonds (distance) C4'-P energy: -162.666 bonds (distance) P-C4' energy: -178.494 flat angles C4'-P-C4' energy: -189.463 flat angles P-C4'-P energy: -97.533 tors. eta vs tors. theta energy: -181.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2337.375286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.375286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.375286 (E_RNA) where: Base-Base interactions energy: -1559.599 where: short stacking energy: -714.637 Base-Backbone interact. energy: -2.964 local terms energy: -774.811641 where: bonds (distance) C4'-P energy: -153.262 bonds (distance) P-C4' energy: -175.640 flat angles C4'-P-C4' energy: -169.704 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -171.972 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: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -2164.903765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.903765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.903765 (E_RNA) where: Base-Base interactions energy: -1452.533 where: short stacking energy: -643.672 Base-Backbone interact. energy: -5.250 local terms energy: -707.121299 where: bonds (distance) C4'-P energy: -161.897 bonds (distance) P-C4' energy: -143.697 flat angles C4'-P-C4' energy: -166.948 flat angles P-C4'-P energy: -97.612 tors. eta vs tors. theta energy: -136.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1925.003850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.003850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.003850 (E_RNA) where: Base-Base interactions energy: -1225.551 where: short stacking energy: -559.488 Base-Backbone interact. energy: -3.546 local terms energy: -695.906626 where: bonds (distance) C4'-P energy: -152.456 bonds (distance) P-C4' energy: -142.904 flat angles C4'-P-C4' energy: -181.534 flat angles P-C4'-P energy: -111.802 tors. eta vs tors. theta energy: -107.210 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: 9 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1383.132384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.132384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.132384 (E_RNA) where: Base-Base interactions energy: -817.344 where: short stacking energy: -423.069 Base-Backbone interact. energy: 0.633 local terms energy: -566.420694 where: bonds (distance) C4'-P energy: -136.180 bonds (distance) P-C4' energy: -168.994 flat angles C4'-P-C4' energy: -107.102 flat angles P-C4'-P energy: -89.516 tors. eta vs tors. theta energy: -64.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -1132.984554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.984554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.984554 (E_RNA) where: Base-Base interactions energy: -608.797 where: short stacking energy: -316.343 Base-Backbone interact. energy: -0.290 local terms energy: -523.898033 where: bonds (distance) C4'-P energy: -140.127 bonds (distance) P-C4' energy: -175.432 flat angles C4'-P-C4' energy: -108.857 flat angles P-C4'-P energy: -87.947 tors. eta vs tors. theta energy: -11.536 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: 62 Temperature: 0.900000 Total energy: -3069.988452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.988452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.988452 (E_RNA) where: Base-Base interactions energy: -2132.431 where: short stacking energy: -935.153 Base-Backbone interact. energy: -7.203 local terms energy: -930.355186 where: bonds (distance) C4'-P energy: -184.881 bonds (distance) P-C4' energy: -187.527 flat angles C4'-P-C4' energy: -200.083 flat angles P-C4'-P energy: -120.456 tors. eta vs tors. theta energy: -237.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -3018.872237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.872237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.872237 (E_RNA) where: Base-Base interactions energy: -2108.038 where: short stacking energy: -905.082 Base-Backbone interact. energy: 0.579 local terms energy: -911.413507 where: bonds (distance) C4'-P energy: -182.814 bonds (distance) P-C4' energy: -170.921 flat angles C4'-P-C4' energy: -205.923 flat angles P-C4'-P energy: -127.564 tors. eta vs tors. theta energy: -224.192 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: 4 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2837.387389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.387389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.387389 (E_RNA) where: Base-Base interactions energy: -1934.851 where: short stacking energy: -869.545 Base-Backbone interact. energy: -2.106 local terms energy: -900.430673 where: bonds (distance) C4'-P energy: -154.363 bonds (distance) P-C4' energy: -172.878 flat angles C4'-P-C4' energy: -205.474 flat angles P-C4'-P energy: -134.792 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: 4, replica: 7 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2591.013324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.013324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.013324 (E_RNA) where: Base-Base interactions energy: -1790.476 where: short stacking energy: -769.751 Base-Backbone interact. energy: -0.182 local terms energy: -800.355515 where: bonds (distance) C4'-P energy: -146.824 bonds (distance) P-C4' energy: -166.605 flat angles C4'-P-C4' energy: -179.652 flat angles P-C4'-P energy: -118.204 tors. eta vs tors. theta energy: -189.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2536.175120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.175120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.175120 (E_RNA) where: Base-Base interactions energy: -1738.674 where: short stacking energy: -767.837 Base-Backbone interact. energy: 3.783 local terms energy: -801.283975 where: bonds (distance) C4'-P energy: -164.455 bonds (distance) P-C4' energy: -152.889 flat angles C4'-P-C4' energy: -184.594 flat angles P-C4'-P energy: -111.142 tors. eta vs tors. theta energy: -188.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2383.901023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.901023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.901023 (E_RNA) where: Base-Base interactions energy: -1593.148 where: short stacking energy: -758.648 Base-Backbone interact. energy: 3.401 local terms energy: -794.154007 where: bonds (distance) C4'-P energy: -153.226 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -180.463 flat angles P-C4'-P energy: -114.002 tors. eta vs tors. theta energy: -193.954 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: 10 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -2154.187819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.187819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.187819 (E_RNA) where: Base-Base interactions energy: -1415.903 where: short stacking energy: -629.894 Base-Backbone interact. energy: 1.269 local terms energy: -739.553660 where: bonds (distance) C4'-P energy: -162.571 bonds (distance) P-C4' energy: -157.737 flat angles C4'-P-C4' energy: -170.979 flat angles P-C4'-P energy: -123.662 tors. eta vs tors. theta energy: -124.603 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: 8, replica: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1829.585812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.585812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.585812 (E_RNA) where: Base-Base interactions energy: -1149.309 where: short stacking energy: -534.026 Base-Backbone interact. energy: -1.611 local terms energy: -678.666289 where: bonds (distance) C4'-P energy: -158.400 bonds (distance) P-C4' energy: -161.582 flat angles C4'-P-C4' energy: -167.211 flat angles P-C4'-P energy: -98.182 tors. eta vs tors. theta energy: -93.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1324.466159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.466159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.466159 (E_RNA) where: Base-Base interactions energy: -827.719 where: short stacking energy: -411.044 Base-Backbone interact. energy: 5.057 local terms energy: -501.803877 where: bonds (distance) C4'-P energy: -123.902 bonds (distance) P-C4' energy: -135.247 flat angles C4'-P-C4' energy: -126.925 flat angles P-C4'-P energy: -88.111 tors. eta vs tors. theta energy: -27.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -1130.689992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.689992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.689992 (E_RNA) where: Base-Base interactions energy: -608.416 where: short stacking energy: -315.255 Base-Backbone interact. energy: -3.877 local terms energy: -518.396467 where: bonds (distance) C4'-P energy: -119.370 bonds (distance) P-C4' energy: -150.761 flat angles C4'-P-C4' energy: -132.400 flat angles P-C4'-P energy: -89.734 tors. eta vs tors. theta energy: -26.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -3130.058129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.058129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.058129 (E_RNA) where: Base-Base interactions energy: -2189.005 where: short stacking energy: -956.684 Base-Backbone interact. energy: -3.182 local terms energy: -937.871218 where: bonds (distance) C4'-P energy: -177.975 bonds (distance) P-C4' energy: -178.204 flat angles C4'-P-C4' energy: -197.586 flat angles P-C4'-P energy: -138.500 tors. eta vs tors. theta energy: -245.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -3012.250515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.250515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.250515 (E_RNA) where: Base-Base interactions energy: -2101.917 where: short stacking energy: -928.610 Base-Backbone interact. energy: -3.244 local terms energy: -907.089734 where: bonds (distance) C4'-P energy: -160.378 bonds (distance) P-C4' energy: -182.740 flat angles C4'-P-C4' energy: -209.512 flat angles P-C4'-P energy: -127.910 tors. eta vs tors. theta energy: -226.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2880.157446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.157446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.157446 (E_RNA) where: Base-Base interactions energy: -1988.990 where: short stacking energy: -854.476 Base-Backbone interact. energy: -4.421 local terms energy: -886.746397 where: bonds (distance) C4'-P energy: -157.745 bonds (distance) P-C4' energy: -189.923 flat angles C4'-P-C4' energy: -191.504 flat angles P-C4'-P energy: -116.926 tors. eta vs tors. theta energy: -230.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2652.505251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.505251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.505251 (E_RNA) where: Base-Base interactions energy: -1815.834 where: short stacking energy: -787.493 Base-Backbone interact. energy: -1.095 local terms energy: -835.575965 where: bonds (distance) C4'-P energy: -168.179 bonds (distance) P-C4' energy: -177.723 flat angles C4'-P-C4' energy: -173.056 flat angles P-C4'-P energy: -108.480 tors. eta vs tors. theta energy: -208.139 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: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2521.000629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.000629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.000629 (E_RNA) where: Base-Base interactions energy: -1738.550 where: short stacking energy: -729.218 Base-Backbone interact. energy: -2.930 local terms energy: -779.521221 where: bonds (distance) C4'-P energy: -159.683 bonds (distance) P-C4' energy: -143.524 flat angles C4'-P-C4' energy: -188.533 flat angles P-C4'-P energy: -129.883 tors. eta vs tors. theta energy: -157.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -2400.152554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.152554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.152554 (E_RNA) where: Base-Base interactions energy: -1602.570 where: short stacking energy: -725.378 Base-Backbone interact. energy: -2.661 local terms energy: -794.921293 where: bonds (distance) C4'-P energy: -162.337 bonds (distance) P-C4' energy: -176.431 flat angles C4'-P-C4' energy: -161.471 flat angles P-C4'-P energy: -108.654 tors. eta vs tors. theta energy: -186.028 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: 7, replica: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -2125.739845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.739845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.739845 (E_RNA) where: Base-Base interactions energy: -1421.208 where: short stacking energy: -605.857 Base-Backbone interact. energy: 7.832 local terms energy: -712.363867 where: bonds (distance) C4'-P energy: -158.787 bonds (distance) P-C4' energy: -153.471 flat angles C4'-P-C4' energy: -161.423 flat angles P-C4'-P energy: -117.050 tors. eta vs tors. theta energy: -121.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1880.244954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.244954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.244954 (E_RNA) where: Base-Base interactions energy: -1231.520 where: short stacking energy: -579.413 Base-Backbone interact. energy: -4.726 local terms energy: -643.998330 where: bonds (distance) C4'-P energy: -133.542 bonds (distance) P-C4' energy: -157.302 flat angles C4'-P-C4' energy: -150.415 flat angles P-C4'-P energy: -94.776 tors. eta vs tors. theta energy: -107.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1290.957134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.957134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.957134 (E_RNA) where: Base-Base interactions energy: -733.130 where: short stacking energy: -348.231 Base-Backbone interact. energy: 4.634 local terms energy: -562.461785 where: bonds (distance) C4'-P energy: -141.268 bonds (distance) P-C4' energy: -157.667 flat angles C4'-P-C4' energy: -162.365 flat angles P-C4'-P energy: -65.113 tors. eta vs tors. theta energy: -36.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -1160.888662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.888662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.888662 (E_RNA) where: Base-Base interactions energy: -655.252 where: short stacking energy: -351.864 Base-Backbone interact. energy: 15.000 local terms energy: -520.636763 where: bonds (distance) C4'-P energy: -129.531 bonds (distance) P-C4' energy: -178.006 flat angles C4'-P-C4' energy: -132.498 flat angles P-C4'-P energy: -64.005 tors. eta vs tors. theta energy: -16.597 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: 5 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -3195.291868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.291868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.291868 (E_RNA) where: Base-Base interactions energy: -2208.804 where: short stacking energy: -933.943 Base-Backbone interact. energy: -4.984 local terms energy: -981.503554 where: bonds (distance) C4'-P energy: -183.640 bonds (distance) P-C4' energy: -191.963 flat angles C4'-P-C4' energy: -217.651 flat angles P-C4'-P energy: -144.104 tors. eta vs tors. theta energy: -244.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -3027.627022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.627022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.627022 (E_RNA) where: Base-Base interactions energy: -2123.615 where: short stacking energy: -903.932 Base-Backbone interact. energy: -1.059 local terms energy: -902.952709 where: bonds (distance) C4'-P energy: -178.724 bonds (distance) P-C4' energy: -175.110 flat angles C4'-P-C4' energy: -189.562 flat angles P-C4'-P energy: -118.258 tors. eta vs tors. theta energy: -241.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2861.988565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.988565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.988565 (E_RNA) where: Base-Base interactions energy: -1971.746 where: short stacking energy: -839.426 Base-Backbone interact. energy: -1.196 local terms energy: -889.046309 where: bonds (distance) C4'-P energy: -179.975 bonds (distance) P-C4' energy: -169.549 flat angles C4'-P-C4' energy: -189.622 flat angles P-C4'-P energy: -138.177 tors. eta vs tors. theta energy: -211.723 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: 64 Temperature: 1.050000 Total energy: -2703.175863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.175863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.175863 (E_RNA) where: Base-Base interactions energy: -1861.068 where: short stacking energy: -786.950 Base-Backbone interact. energy: 2.301 local terms energy: -844.407952 where: bonds (distance) C4'-P energy: -180.859 bonds (distance) P-C4' energy: -180.317 flat angles C4'-P-C4' energy: -163.415 flat angles P-C4'-P energy: -120.504 tors. eta vs tors. theta energy: -199.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2547.012610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.012610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.012610 (E_RNA) where: Base-Base interactions energy: -1752.096 where: short stacking energy: -748.420 Base-Backbone interact. energy: -1.668 local terms energy: -793.248763 where: bonds (distance) C4'-P energy: -152.462 bonds (distance) P-C4' energy: -173.281 flat angles C4'-P-C4' energy: -175.828 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -175.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -2382.992325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.992325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.992325 (E_RNA) where: Base-Base interactions energy: -1592.469 where: short stacking energy: -781.669 Base-Backbone interact. energy: -0.748 local terms energy: -789.775401 where: bonds (distance) C4'-P energy: -138.016 bonds (distance) P-C4' energy: -159.243 flat angles C4'-P-C4' energy: -177.243 flat angles P-C4'-P energy: -119.220 tors. eta vs tors. theta energy: -196.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -2071.822018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.822018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.822018 (E_RNA) where: Base-Base interactions energy: -1417.635 where: short stacking energy: -626.818 Base-Backbone interact. energy: -5.178 local terms energy: -649.009411 where: bonds (distance) C4'-P energy: -140.275 bonds (distance) P-C4' energy: -139.429 flat angles C4'-P-C4' energy: -164.643 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -107.407 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: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1956.714254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.714254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.714254 (E_RNA) where: Base-Base interactions energy: -1263.994 where: short stacking energy: -603.331 Base-Backbone interact. energy: -2.251 local terms energy: -690.469168 where: bonds (distance) C4'-P energy: -153.751 bonds (distance) P-C4' energy: -148.223 flat angles C4'-P-C4' energy: -168.405 flat angles P-C4'-P energy: -95.941 tors. eta vs tors. theta energy: -124.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1383.361231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.361231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.361231 (E_RNA) where: Base-Base interactions energy: -814.580 where: short stacking energy: -394.255 Base-Backbone interact. energy: 3.265 local terms energy: -572.046211 where: bonds (distance) C4'-P energy: -148.451 bonds (distance) P-C4' energy: -156.799 flat angles C4'-P-C4' energy: -136.026 flat angles P-C4'-P energy: -78.164 tors. eta vs tors. theta energy: -52.606 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: 10, replica: 3 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -1290.784897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.784897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.784897 (E_RNA) where: Base-Base interactions energy: -763.632 where: short stacking energy: -393.814 Base-Backbone interact. energy: -0.281 local terms energy: -526.871197 where: bonds (distance) C4'-P energy: -138.418 bonds (distance) P-C4' energy: -132.894 flat angles C4'-P-C4' energy: -125.704 flat angles P-C4'-P energy: -88.116 tors. eta vs tors. theta energy: -41.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -3189.646008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.646008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.646008 (E_RNA) where: Base-Base interactions energy: -2234.988 where: short stacking energy: -965.351 Base-Backbone interact. energy: -3.237 local terms energy: -951.421045 where: bonds (distance) C4'-P energy: -172.608 bonds (distance) P-C4' energy: -186.783 flat angles C4'-P-C4' energy: -213.589 flat angles P-C4'-P energy: -129.732 tors. eta vs tors. theta energy: -248.709 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: 8 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -3013.387007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.387007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.387007 (E_RNA) where: Base-Base interactions energy: -2101.232 where: short stacking energy: -886.481 Base-Backbone interact. energy: 1.591 local terms energy: -913.745604 where: bonds (distance) C4'-P energy: -165.983 bonds (distance) P-C4' energy: -188.599 flat angles C4'-P-C4' energy: -208.788 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -241.433 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: 65 Temperature: 1.000000 Total energy: -2923.135997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.135997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.135997 (E_RNA) where: Base-Base interactions energy: -2026.857 where: short stacking energy: -901.475 Base-Backbone interact. energy: -2.228 local terms energy: -894.050185 where: bonds (distance) C4'-P energy: -174.140 bonds (distance) P-C4' energy: -155.676 flat angles C4'-P-C4' energy: -187.439 flat angles P-C4'-P energy: -140.332 tors. eta vs tors. theta energy: -236.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2682.143745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.143745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.143745 (E_RNA) where: Base-Base interactions energy: -1833.948 where: short stacking energy: -797.954 Base-Backbone interact. energy: 1.853 local terms energy: -850.048915 where: bonds (distance) C4'-P energy: -169.299 bonds (distance) P-C4' energy: -162.741 flat angles C4'-P-C4' energy: -179.246 flat angles P-C4'-P energy: -126.279 tors. eta vs tors. theta energy: -212.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -2513.231030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.231030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.231030 (E_RNA) where: Base-Base interactions energy: -1719.074 where: short stacking energy: -717.668 Base-Backbone interact. energy: -4.251 local terms energy: -789.905837 where: bonds (distance) C4'-P energy: -163.185 bonds (distance) P-C4' energy: -154.258 flat angles C4'-P-C4' energy: -179.562 flat angles P-C4'-P energy: -124.065 tors. eta vs tors. theta energy: -168.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2386.881603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.881603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.881603 (E_RNA) where: Base-Base interactions energy: -1612.848 where: short stacking energy: -756.268 Base-Backbone interact. energy: -0.652 local terms energy: -773.381479 where: bonds (distance) C4'-P energy: -159.602 bonds (distance) P-C4' energy: -159.182 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -111.533 tors. eta vs tors. theta energy: -176.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -2017.164074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.164074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.164074 (E_RNA) where: Base-Base interactions energy: -1339.813 where: short stacking energy: -601.418 Base-Backbone interact. energy: 0.683 local terms energy: -678.034770 where: bonds (distance) C4'-P energy: -152.912 bonds (distance) P-C4' energy: -152.412 flat angles C4'-P-C4' energy: -173.628 flat angles P-C4'-P energy: -91.960 tors. eta vs tors. theta energy: -107.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1862.339537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.339537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.339537 (E_RNA) where: Base-Base interactions energy: -1185.631 where: short stacking energy: -580.755 Base-Backbone interact. energy: 1.295 local terms energy: -678.003907 where: bonds (distance) C4'-P energy: -140.617 bonds (distance) P-C4' energy: -164.520 flat angles C4'-P-C4' energy: -165.299 flat angles P-C4'-P energy: -91.609 tors. eta vs tors. theta energy: -115.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1422.417455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.417455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.417455 (E_RNA) where: Base-Base interactions energy: -851.026 where: short stacking energy: -419.603 Base-Backbone interact. energy: 6.827 local terms energy: -578.218385 where: bonds (distance) C4'-P energy: -164.626 bonds (distance) P-C4' energy: -165.322 flat angles C4'-P-C4' energy: -121.978 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -49.117 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: 3 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -1289.897547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.897547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.897547 (E_RNA) where: Base-Base interactions energy: -781.067 where: short stacking energy: -381.001 Base-Backbone interact. energy: -1.671 local terms energy: -507.160162 where: bonds (distance) C4'-P energy: -131.289 bonds (distance) P-C4' energy: -140.614 flat angles C4'-P-C4' energy: -124.307 flat angles P-C4'-P energy: -91.931 tors. eta vs tors. theta energy: -19.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -3157.876677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.876677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.876677 (E_RNA) where: Base-Base interactions energy: -2218.718 where: short stacking energy: -908.461 Base-Backbone interact. energy: -7.565 local terms energy: -931.593619 where: bonds (distance) C4'-P energy: -171.498 bonds (distance) P-C4' energy: -172.901 flat angles C4'-P-C4' energy: -199.254 flat angles P-C4'-P energy: -137.345 tors. eta vs tors. theta energy: -250.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -3033.032477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.032477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.032477 (E_RNA) where: Base-Base interactions energy: -2094.808 where: short stacking energy: -910.491 Base-Backbone interact. energy: -1.534 local terms energy: -936.691281 where: bonds (distance) C4'-P energy: -177.269 bonds (distance) P-C4' energy: -184.267 flat angles C4'-P-C4' energy: -201.840 flat angles P-C4'-P energy: -131.436 tors. eta vs tors. theta energy: -241.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2907.037034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.037034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.037034 (E_RNA) where: Base-Base interactions energy: -1995.583 where: short stacking energy: -874.409 Base-Backbone interact. energy: -2.371 local terms energy: -909.082202 where: bonds (distance) C4'-P energy: -181.641 bonds (distance) P-C4' energy: -176.617 flat angles C4'-P-C4' energy: -190.557 flat angles P-C4'-P energy: -117.347 tors. eta vs tors. theta energy: -242.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2688.660235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.660235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.660235 (E_RNA) where: Base-Base interactions energy: -1841.323 where: short stacking energy: -808.991 Base-Backbone interact. energy: -1.748 local terms energy: -845.589063 where: bonds (distance) C4'-P energy: -164.159 bonds (distance) P-C4' energy: -169.442 flat angles C4'-P-C4' energy: -185.686 flat angles P-C4'-P energy: -108.701 tors. eta vs tors. theta energy: -217.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2553.721412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.721412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.721412 (E_RNA) where: Base-Base interactions energy: -1748.677 where: short stacking energy: -756.929 Base-Backbone interact. energy: 0.424 local terms energy: -805.467434 where: bonds (distance) C4'-P energy: -162.484 bonds (distance) P-C4' energy: -163.258 flat angles C4'-P-C4' energy: -179.559 flat angles P-C4'-P energy: -121.413 tors. eta vs tors. theta energy: -178.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2404.510775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.510775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.510775 (E_RNA) where: Base-Base interactions energy: -1607.546 where: short stacking energy: -751.531 Base-Backbone interact. energy: -1.200 local terms energy: -795.764544 where: bonds (distance) C4'-P energy: -173.503 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -180.515 flat angles P-C4'-P energy: -115.915 tors. eta vs tors. theta energy: -177.506 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: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -2129.126843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.126843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.126843 (E_RNA) where: Base-Base interactions energy: -1441.269 where: short stacking energy: -631.941 Base-Backbone interact. energy: 2.647 local terms energy: -690.505450 where: bonds (distance) C4'-P energy: -144.377 bonds (distance) P-C4' energy: -155.674 flat angles C4'-P-C4' energy: -166.521 flat angles P-C4'-P energy: -97.478 tors. eta vs tors. theta energy: -126.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1883.170957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.170957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.170957 (E_RNA) where: Base-Base interactions energy: -1226.024 where: short stacking energy: -570.345 Base-Backbone interact. energy: -0.730 local terms energy: -656.417749 where: bonds (distance) C4'-P energy: -159.619 bonds (distance) P-C4' energy: -143.059 flat angles C4'-P-C4' energy: -159.428 flat angles P-C4'-P energy: -79.606 tors. eta vs tors. theta energy: -114.706 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: 9 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1447.556835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.556835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.556835 (E_RNA) where: Base-Base interactions energy: -885.929 where: short stacking energy: -439.725 Base-Backbone interact. energy: -0.432 local terms energy: -561.195397 where: bonds (distance) C4'-P energy: -136.502 bonds (distance) P-C4' energy: -144.766 flat angles C4'-P-C4' energy: -162.376 flat angles P-C4'-P energy: -67.270 tors. eta vs tors. theta energy: -50.281 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: 3 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -1239.856867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.856867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.856867 (E_RNA) where: Base-Base interactions energy: -707.649 where: short stacking energy: -347.858 Base-Backbone interact. energy: 0.298 local terms energy: -532.505370 where: bonds (distance) C4'-P energy: -136.329 bonds (distance) P-C4' energy: -146.967 flat angles C4'-P-C4' energy: -128.822 flat angles P-C4'-P energy: -83.018 tors. eta vs tors. theta energy: -37.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -3145.783039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.783039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.783039 (E_RNA) where: Base-Base interactions energy: -2213.572 where: short stacking energy: -911.276 Base-Backbone interact. energy: -6.427 local terms energy: -925.783901 where: bonds (distance) C4'-P energy: -173.862 bonds (distance) P-C4' energy: -174.323 flat angles C4'-P-C4' energy: -191.323 flat angles P-C4'-P energy: -148.142 tors. eta vs tors. theta energy: -238.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -3035.874903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.874903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.874903 (E_RNA) where: Base-Base interactions energy: -2087.605 where: short stacking energy: -907.811 Base-Backbone interact. energy: -2.679 local terms energy: -945.591607 where: bonds (distance) C4'-P energy: -194.484 bonds (distance) P-C4' energy: -178.675 flat angles C4'-P-C4' energy: -196.646 flat angles P-C4'-P energy: -145.139 tors. eta vs tors. theta energy: -230.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2923.492776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.492776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.492776 (E_RNA) where: Base-Base interactions energy: -2033.923 where: short stacking energy: -896.477 Base-Backbone interact. energy: -0.258 local terms energy: -889.311442 where: bonds (distance) C4'-P energy: -159.588 bonds (distance) P-C4' energy: -172.172 flat angles C4'-P-C4' energy: -195.323 flat angles P-C4'-P energy: -134.632 tors. eta vs tors. theta energy: -227.596 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: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2663.612703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.612703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.612703 (E_RNA) where: Base-Base interactions energy: -1847.284 where: short stacking energy: -801.562 Base-Backbone interact. energy: 1.348 local terms energy: -817.677123 where: bonds (distance) C4'-P energy: -172.590 bonds (distance) P-C4' energy: -165.911 flat angles C4'-P-C4' energy: -168.173 flat angles P-C4'-P energy: -105.625 tors. eta vs tors. theta energy: -205.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2542.017050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.017050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.017050 (E_RNA) where: Base-Base interactions energy: -1726.753 where: short stacking energy: -765.268 Base-Backbone interact. energy: -3.535 local terms energy: -811.729127 where: bonds (distance) C4'-P energy: -145.412 bonds (distance) P-C4' energy: -174.789 flat angles C4'-P-C4' energy: -183.427 flat angles P-C4'-P energy: -108.433 tors. eta vs tors. theta energy: -199.668 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: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -2420.705105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.705105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.705105 (E_RNA) where: Base-Base interactions energy: -1610.017 where: short stacking energy: -725.351 Base-Backbone interact. energy: -4.019 local terms energy: -806.668772 where: bonds (distance) C4'-P energy: -158.247 bonds (distance) P-C4' energy: -158.883 flat angles C4'-P-C4' energy: -190.633 flat angles P-C4'-P energy: -135.404 tors. eta vs tors. theta energy: -163.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -2131.724489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.724489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.724489 (E_RNA) where: Base-Base interactions energy: -1407.504 where: short stacking energy: -626.607 Base-Backbone interact. energy: 6.516 local terms energy: -730.735709 where: bonds (distance) C4'-P energy: -142.717 bonds (distance) P-C4' energy: -173.314 flat angles C4'-P-C4' energy: -183.120 flat angles P-C4'-P energy: -112.514 tors. eta vs tors. theta energy: -119.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1888.168271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.168271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.168271 (E_RNA) where: Base-Base interactions energy: -1213.675 where: short stacking energy: -558.168 Base-Backbone interact. energy: 4.126 local terms energy: -678.618499 where: bonds (distance) C4'-P energy: -154.612 bonds (distance) P-C4' energy: -158.283 flat angles C4'-P-C4' energy: -144.736 flat angles P-C4'-P energy: -112.529 tors. eta vs tors. theta energy: -108.458 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: 9 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1485.332700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.332700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.332700 (E_RNA) where: Base-Base interactions energy: -930.045 where: short stacking energy: -458.932 Base-Backbone interact. energy: 5.291 local terms energy: -560.578617 where: bonds (distance) C4'-P energy: -157.743 bonds (distance) P-C4' energy: -160.285 flat angles C4'-P-C4' energy: -129.673 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -50.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -1181.630203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.630203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.630203 (E_RNA) where: Base-Base interactions energy: -667.946 where: short stacking energy: -364.246 Base-Backbone interact. energy: -3.595 local terms energy: -510.088681 where: bonds (distance) C4'-P energy: -134.767 bonds (distance) P-C4' energy: -151.523 flat angles C4'-P-C4' energy: -125.489 flat angles P-C4'-P energy: -55.228 tors. eta vs tors. theta energy: -43.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -3131.323200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.323200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.323200 (E_RNA) where: Base-Base interactions energy: -2182.438 where: short stacking energy: -917.498 Base-Backbone interact. energy: -9.319 local terms energy: -939.565614 where: bonds (distance) C4'-P energy: -177.629 bonds (distance) P-C4' energy: -180.163 flat angles C4'-P-C4' energy: -208.694 flat angles P-C4'-P energy: -136.843 tors. eta vs tors. theta energy: -236.237 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: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -3024.332151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.332151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.332151 (E_RNA) where: Base-Base interactions energy: -2118.339 where: short stacking energy: -909.721 Base-Backbone interact. energy: -4.587 local terms energy: -901.405863 where: bonds (distance) C4'-P energy: -164.309 bonds (distance) P-C4' energy: -165.784 flat angles C4'-P-C4' energy: -209.363 flat angles P-C4'-P energy: -138.444 tors. eta vs tors. theta energy: -223.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2972.623336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.623336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.623336 (E_RNA) where: Base-Base interactions energy: -2071.712 where: short stacking energy: -906.775 Base-Backbone interact. energy: -4.543 local terms energy: -896.368412 where: bonds (distance) C4'-P energy: -151.469 bonds (distance) P-C4' energy: -175.181 flat angles C4'-P-C4' energy: -196.989 flat angles P-C4'-P energy: -136.424 tors. eta vs tors. theta energy: -236.305 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: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2625.705517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.705517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.705517 (E_RNA) where: Base-Base interactions energy: -1810.585 where: short stacking energy: -799.523 Base-Backbone interact. energy: -1.168 local terms energy: -813.952322 where: bonds (distance) C4'-P energy: -165.478 bonds (distance) P-C4' energy: -168.877 flat angles C4'-P-C4' energy: -163.782 flat angles P-C4'-P energy: -122.582 tors. eta vs tors. theta energy: -193.233 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2542.761228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.761228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.761228 (E_RNA) where: Base-Base interactions energy: -1754.260 where: short stacking energy: -737.659 Base-Backbone interact. energy: 6.640 local terms energy: -795.141484 where: bonds (distance) C4'-P energy: -161.381 bonds (distance) P-C4' energy: -153.726 flat angles C4'-P-C4' energy: -184.884 flat angles P-C4'-P energy: -110.831 tors. eta vs tors. theta energy: -184.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2488.905084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.905084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.905084 (E_RNA) where: Base-Base interactions energy: -1680.314 where: short stacking energy: -755.609 Base-Backbone interact. energy: 2.140 local terms energy: -810.730626 where: bonds (distance) C4'-P energy: -152.904 bonds (distance) P-C4' energy: -155.988 flat angles C4'-P-C4' energy: -186.090 flat angles P-C4'-P energy: -121.509 tors. eta vs tors. theta energy: -194.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -2170.712318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.712318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.712318 (E_RNA) where: Base-Base interactions energy: -1485.529 where: short stacking energy: -653.326 Base-Backbone interact. energy: 0.714 local terms energy: -685.897642 where: bonds (distance) C4'-P energy: -133.085 bonds (distance) P-C4' energy: -164.058 flat angles C4'-P-C4' energy: -148.360 flat angles P-C4'-P energy: -107.709 tors. eta vs tors. theta energy: -132.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1866.058525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.058525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.058525 (E_RNA) where: Base-Base interactions energy: -1216.774 where: short stacking energy: -546.361 Base-Backbone interact. energy: -2.917 local terms energy: -646.367644 where: bonds (distance) C4'-P energy: -164.970 bonds (distance) P-C4' energy: -146.526 flat angles C4'-P-C4' energy: -157.405 flat angles P-C4'-P energy: -84.880 tors. eta vs tors. theta energy: -92.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1489.408763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.408763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.408763 (E_RNA) where: Base-Base interactions energy: -903.394 where: short stacking energy: -420.403 Base-Backbone interact. energy: 0.062 local terms energy: -586.076932 where: bonds (distance) C4'-P energy: -163.866 bonds (distance) P-C4' energy: -155.482 flat angles C4'-P-C4' energy: -139.342 flat angles P-C4'-P energy: -81.603 tors. eta vs tors. theta energy: -45.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -1243.453604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.453604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.453604 (E_RNA) where: Base-Base interactions energy: -686.358 where: short stacking energy: -377.903 Base-Backbone interact. energy: -1.197 local terms energy: -555.899263 where: bonds (distance) C4'-P energy: -130.941 bonds (distance) P-C4' energy: -168.052 flat angles C4'-P-C4' energy: -134.356 flat angles P-C4'-P energy: -96.388 tors. eta vs tors. theta energy: -26.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -3173.710706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.710706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.710706 (E_RNA) where: Base-Base interactions energy: -2186.569 where: short stacking energy: -919.676 Base-Backbone interact. energy: -2.630 local terms energy: -984.511949 where: bonds (distance) C4'-P energy: -175.190 bonds (distance) P-C4' energy: -198.907 flat angles C4'-P-C4' energy: -204.813 flat angles P-C4'-P energy: -153.282 tors. eta vs tors. theta energy: -252.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -3034.959918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.959918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.959918 (E_RNA) where: Base-Base interactions energy: -2106.426 where: short stacking energy: -898.757 Base-Backbone interact. energy: -4.166 local terms energy: -924.367101 where: bonds (distance) C4'-P energy: -173.701 bonds (distance) P-C4' energy: -187.855 flat angles C4'-P-C4' energy: -198.191 flat angles P-C4'-P energy: -137.422 tors. eta vs tors. theta energy: -227.197 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: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2970.678861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.678861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.678861 (E_RNA) where: Base-Base interactions energy: -2060.654 where: short stacking energy: -900.140 Base-Backbone interact. energy: 0.272 local terms energy: -910.297308 where: bonds (distance) C4'-P energy: -182.201 bonds (distance) P-C4' energy: -172.557 flat angles C4'-P-C4' energy: -197.960 flat angles P-C4'-P energy: -131.221 tors. eta vs tors. theta energy: -226.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2678.654656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.654656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.654656 (E_RNA) where: Base-Base interactions energy: -1808.923 where: short stacking energy: -786.316 Base-Backbone interact. energy: -1.185 local terms energy: -868.546099 where: bonds (distance) C4'-P energy: -175.755 bonds (distance) P-C4' energy: -182.967 flat angles C4'-P-C4' energy: -191.201 flat angles P-C4'-P energy: -114.457 tors. eta vs tors. theta energy: -204.166 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: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -2528.139241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.139241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.139241 (E_RNA) where: Base-Base interactions energy: -1740.992 where: short stacking energy: -754.227 Base-Backbone interact. energy: -2.319 local terms energy: -784.827584 where: bonds (distance) C4'-P energy: -160.256 bonds (distance) P-C4' energy: -156.957 flat angles C4'-P-C4' energy: -184.830 flat angles P-C4'-P energy: -111.320 tors. eta vs tors. theta energy: -171.465 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: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2458.385357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.385357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.385357 (E_RNA) where: Base-Base interactions energy: -1667.200 where: short stacking energy: -775.063 Base-Backbone interact. energy: 0.844 local terms energy: -792.029467 where: bonds (distance) C4'-P energy: -163.537 bonds (distance) P-C4' energy: -150.367 flat angles C4'-P-C4' energy: -180.502 flat angles P-C4'-P energy: -111.221 tors. eta vs tors. theta energy: -186.402 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: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -2153.188480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.188480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.188480 (E_RNA) where: Base-Base interactions energy: -1424.331 where: short stacking energy: -624.861 Base-Backbone interact. energy: -3.214 local terms energy: -725.643292 where: bonds (distance) C4'-P energy: -143.084 bonds (distance) P-C4' energy: -169.247 flat angles C4'-P-C4' energy: -159.430 flat angles P-C4'-P energy: -129.165 tors. eta vs tors. theta energy: -124.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1856.472433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.472433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.472433 (E_RNA) where: Base-Base interactions energy: -1187.141 where: short stacking energy: -541.742 Base-Backbone interact. energy: 4.873 local terms energy: -674.204580 where: bonds (distance) C4'-P energy: -118.583 bonds (distance) P-C4' energy: -177.083 flat angles C4'-P-C4' energy: -163.153 flat angles P-C4'-P energy: -108.271 tors. eta vs tors. theta energy: -107.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1481.701650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.701650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.701650 (E_RNA) where: Base-Base interactions energy: -925.877 where: short stacking energy: -449.016 Base-Backbone interact. energy: -1.693 local terms energy: -554.131164 where: bonds (distance) C4'-P energy: -128.096 bonds (distance) P-C4' energy: -151.858 flat angles C4'-P-C4' energy: -140.404 flat angles P-C4'-P energy: -88.628 tors. eta vs tors. theta energy: -45.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -1235.836775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.836775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.836775 (E_RNA) where: Base-Base interactions energy: -680.118 where: short stacking energy: -361.385 Base-Backbone interact. energy: 3.035 local terms energy: -558.753272 where: bonds (distance) C4'-P energy: -127.557 bonds (distance) P-C4' energy: -171.149 flat angles C4'-P-C4' energy: -155.821 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: -29.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -3170.639653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.639653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.639653 (E_RNA) where: Base-Base interactions energy: -2219.268 where: short stacking energy: -925.110 Base-Backbone interact. energy: -0.650 local terms energy: -950.722196 where: bonds (distance) C4'-P energy: -171.249 bonds (distance) P-C4' energy: -198.210 flat angles C4'-P-C4' energy: -214.667 flat angles P-C4'-P energy: -123.074 tors. eta vs tors. theta energy: -243.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -3098.342919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.342919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.342919 (E_RNA) where: Base-Base interactions energy: -2179.495 where: short stacking energy: -910.353 Base-Backbone interact. energy: 0.010 local terms energy: -918.857035 where: bonds (distance) C4'-P energy: -157.980 bonds (distance) P-C4' energy: -184.289 flat angles C4'-P-C4' energy: -209.256 flat angles P-C4'-P energy: -133.376 tors. eta vs tors. theta energy: -233.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2909.753010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.753010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.753010 (E_RNA) where: Base-Base interactions energy: -2025.154 where: short stacking energy: -860.875 Base-Backbone interact. energy: -1.667 local terms energy: -882.932436 where: bonds (distance) C4'-P energy: -169.941 bonds (distance) P-C4' energy: -166.286 flat angles C4'-P-C4' energy: -193.533 flat angles P-C4'-P energy: -124.466 tors. eta vs tors. theta energy: -228.707 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: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2730.844204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.844204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.844204 (E_RNA) where: Base-Base interactions energy: -1881.222 where: short stacking energy: -826.281 Base-Backbone interact. energy: -3.528 local terms energy: -846.094359 where: bonds (distance) C4'-P energy: -170.064 bonds (distance) P-C4' energy: -164.659 flat angles C4'-P-C4' energy: -166.286 flat angles P-C4'-P energy: -122.232 tors. eta vs tors. theta energy: -222.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -2538.373103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.373103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.373103 (E_RNA) where: Base-Base interactions energy: -1717.195 where: short stacking energy: -720.398 Base-Backbone interact. energy: -3.750 local terms energy: -817.428213 where: bonds (distance) C4'-P energy: -181.745 bonds (distance) P-C4' energy: -166.805 flat angles C4'-P-C4' energy: -177.237 flat angles P-C4'-P energy: -118.281 tors. eta vs tors. theta energy: -173.360 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: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2474.807701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.807701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.807701 (E_RNA) where: Base-Base interactions energy: -1664.680 where: short stacking energy: -750.895 Base-Backbone interact. energy: 3.074 local terms energy: -813.202300 where: bonds (distance) C4'-P energy: -173.649 bonds (distance) P-C4' energy: -148.694 flat angles C4'-P-C4' energy: -185.814 flat angles P-C4'-P energy: -118.288 tors. eta vs tors. theta energy: -186.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -2135.716130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2135.716130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2135.716130 (E_RNA) where: Base-Base interactions energy: -1433.156 where: short stacking energy: -620.754 Base-Backbone interact. energy: -2.241 local terms energy: -700.319244 where: bonds (distance) C4'-P energy: -143.971 bonds (distance) P-C4' energy: -154.606 flat angles C4'-P-C4' energy: -183.929 flat angles P-C4'-P energy: -102.961 tors. eta vs tors. theta energy: -114.853 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: 2 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1888.495926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.495926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.495926 (E_RNA) where: Base-Base interactions energy: -1189.318 where: short stacking energy: -555.953 Base-Backbone interact. energy: -2.028 local terms energy: -697.149075 where: bonds (distance) C4'-P energy: -144.115 bonds (distance) P-C4' energy: -161.813 flat angles C4'-P-C4' energy: -175.918 flat angles P-C4'-P energy: -103.365 tors. eta vs tors. theta energy: -111.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1467.948945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.948945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.948945 (E_RNA) where: Base-Base interactions energy: -922.326 where: short stacking energy: -441.049 Base-Backbone interact. energy: -0.361 local terms energy: -545.261886 where: bonds (distance) C4'-P energy: -126.433 bonds (distance) P-C4' energy: -143.296 flat angles C4'-P-C4' energy: -153.241 flat angles P-C4'-P energy: -73.775 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: 10, replica: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -1212.932798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.932798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.932798 (E_RNA) where: Base-Base interactions energy: -696.220 where: short stacking energy: -346.648 Base-Backbone interact. energy: 2.693 local terms energy: -519.405301 where: bonds (distance) C4'-P energy: -145.415 bonds (distance) P-C4' energy: -137.451 flat angles C4'-P-C4' energy: -139.658 flat angles P-C4'-P energy: -83.333 tors. eta vs tors. theta energy: -13.548 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: 5 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -3169.402695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.402695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.402695 (E_RNA) where: Base-Base interactions energy: -2198.250 where: short stacking energy: -955.571 Base-Backbone interact. energy: -4.815 local terms energy: -966.337760 where: bonds (distance) C4'-P energy: -177.211 bonds (distance) P-C4' energy: -187.623 flat angles C4'-P-C4' energy: -215.334 flat angles P-C4'-P energy: -136.500 tors. eta vs tors. theta energy: -249.669 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: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2985.499589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.499589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.499589 (E_RNA) where: Base-Base interactions energy: -2063.778 where: short stacking energy: -889.972 Base-Backbone interact. energy: -3.850 local terms energy: -917.871331 where: bonds (distance) C4'-P energy: -176.064 bonds (distance) P-C4' energy: -184.988 flat angles C4'-P-C4' energy: -187.685 flat angles P-C4'-P energy: -148.968 tors. eta vs tors. theta energy: -220.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2929.839014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.839014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.839014 (E_RNA) where: Base-Base interactions energy: -2035.746 where: short stacking energy: -887.209 Base-Backbone interact. energy: 1.020 local terms energy: -895.112992 where: bonds (distance) C4'-P energy: -180.683 bonds (distance) P-C4' energy: -169.712 flat angles C4'-P-C4' energy: -183.707 flat angles P-C4'-P energy: -132.974 tors. eta vs tors. theta energy: -228.037 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: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2705.685671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.685671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.685671 (E_RNA) where: Base-Base interactions energy: -1830.673 where: short stacking energy: -796.528 Base-Backbone interact. energy: -5.322 local terms energy: -869.690741 where: bonds (distance) C4'-P energy: -180.820 bonds (distance) P-C4' energy: -171.775 flat angles C4'-P-C4' energy: -185.651 flat angles P-C4'-P energy: -118.099 tors. eta vs tors. theta energy: -213.346 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: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2615.992534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.992534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.992534 (E_RNA) where: Base-Base interactions energy: -1779.347 where: short stacking energy: -755.484 Base-Backbone interact. energy: -4.451 local terms energy: -832.194358 where: bonds (distance) C4'-P energy: -163.891 bonds (distance) P-C4' energy: -152.598 flat angles C4'-P-C4' energy: -197.484 flat angles P-C4'-P energy: -116.897 tors. eta vs tors. theta energy: -201.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2434.296899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.296899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.296899 (E_RNA) where: Base-Base interactions energy: -1651.342 where: short stacking energy: -765.590 Base-Backbone interact. energy: -4.011 local terms energy: -778.944043 where: bonds (distance) C4'-P energy: -147.769 bonds (distance) P-C4' energy: -162.585 flat angles C4'-P-C4' energy: -171.955 flat angles P-C4'-P energy: -111.816 tors. eta vs tors. theta energy: -184.820 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: 71 Temperature: 1.200000 Total energy: -2139.216114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.216114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.216114 (E_RNA) where: Base-Base interactions energy: -1429.843 where: short stacking energy: -637.901 Base-Backbone interact. energy: 2.069 local terms energy: -711.442384 where: bonds (distance) C4'-P energy: -156.116 bonds (distance) P-C4' energy: -139.023 flat angles C4'-P-C4' energy: -171.883 flat angles P-C4'-P energy: -107.119 tors. eta vs tors. theta energy: -137.302 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: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1848.141292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.141292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.141292 (E_RNA) where: Base-Base interactions energy: -1195.733 where: short stacking energy: -535.383 Base-Backbone interact. energy: -1.739 local terms energy: -650.669607 where: bonds (distance) C4'-P energy: -151.327 bonds (distance) P-C4' energy: -151.102 flat angles C4'-P-C4' energy: -158.754 flat angles P-C4'-P energy: -107.289 tors. eta vs tors. theta energy: -82.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1474.870519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.870519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.870519 (E_RNA) where: Base-Base interactions energy: -923.815 where: short stacking energy: -445.849 Base-Backbone interact. energy: 8.897 local terms energy: -559.952736 where: bonds (distance) C4'-P energy: -148.478 bonds (distance) P-C4' energy: -150.087 flat angles C4'-P-C4' energy: -135.634 flat angles P-C4'-P energy: -86.812 tors. eta vs tors. theta energy: -38.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -1268.427390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.427390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.427390 (E_RNA) where: Base-Base interactions energy: -746.997 where: short stacking energy: -383.549 Base-Backbone interact. energy: 6.308 local terms energy: -527.738929 where: bonds (distance) C4'-P energy: -123.893 bonds (distance) P-C4' energy: -154.410 flat angles C4'-P-C4' energy: -132.761 flat angles P-C4'-P energy: -94.144 tors. eta vs tors. theta energy: -22.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -3141.119307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.119307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.119307 (E_RNA) where: Base-Base interactions energy: -2190.643 where: short stacking energy: -947.769 Base-Backbone interact. energy: -5.512 local terms energy: -944.963578 where: bonds (distance) C4'-P energy: -175.396 bonds (distance) P-C4' energy: -186.480 flat angles C4'-P-C4' energy: -211.699 flat angles P-C4'-P energy: -138.417 tors. eta vs tors. theta energy: -232.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2985.445737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.445737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.445737 (E_RNA) where: Base-Base interactions energy: -2049.258 where: short stacking energy: -885.990 Base-Backbone interact. energy: -2.421 local terms energy: -933.766997 where: bonds (distance) C4'-P energy: -189.183 bonds (distance) P-C4' energy: -189.923 flat angles C4'-P-C4' energy: -187.322 flat angles P-C4'-P energy: -147.833 tors. eta vs tors. theta energy: -219.507 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: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2970.740289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.740289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.740289 (E_RNA) where: Base-Base interactions energy: -2065.894 where: short stacking energy: -908.971 Base-Backbone interact. energy: -0.029 local terms energy: -904.817850 where: bonds (distance) C4'-P energy: -198.716 bonds (distance) P-C4' energy: -168.012 flat angles C4'-P-C4' energy: -184.679 flat angles P-C4'-P energy: -120.037 tors. eta vs tors. theta energy: -233.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2677.136353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.136353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.136353 (E_RNA) where: Base-Base interactions energy: -1816.296 where: short stacking energy: -813.164 Base-Backbone interact. energy: -2.709 local terms energy: -858.131297 where: bonds (distance) C4'-P energy: -177.486 bonds (distance) P-C4' energy: -180.408 flat angles C4'-P-C4' energy: -184.602 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -208.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2628.493844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.493844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.493844 (E_RNA) where: Base-Base interactions energy: -1795.717 where: short stacking energy: -782.956 Base-Backbone interact. energy: -3.213 local terms energy: -829.563282 where: bonds (distance) C4'-P energy: -175.125 bonds (distance) P-C4' energy: -159.512 flat angles C4'-P-C4' energy: -170.757 flat angles P-C4'-P energy: -124.743 tors. eta vs tors. theta energy: -199.427 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: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2467.607271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.607271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.607271 (E_RNA) where: Base-Base interactions energy: -1697.510 where: short stacking energy: -778.692 Base-Backbone interact. energy: 2.541 local terms energy: -772.638387 where: bonds (distance) C4'-P energy: -139.215 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -171.209 flat angles P-C4'-P energy: -114.184 tors. eta vs tors. theta energy: -195.665 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: 10 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -2199.169412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.169412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.169412 (E_RNA) where: Base-Base interactions energy: -1482.011 where: short stacking energy: -674.913 Base-Backbone interact. energy: -2.304 local terms energy: -714.853976 where: bonds (distance) C4'-P energy: -158.905 bonds (distance) P-C4' energy: -150.800 flat angles C4'-P-C4' energy: -169.172 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -156.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1867.733927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.733927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.733927 (E_RNA) where: Base-Base interactions energy: -1208.481 where: short stacking energy: -579.966 Base-Backbone interact. energy: -1.237 local terms energy: -658.016437 where: bonds (distance) C4'-P energy: -142.729 bonds (distance) P-C4' energy: -155.144 flat angles C4'-P-C4' energy: -157.291 flat angles P-C4'-P energy: -89.309 tors. eta vs tors. theta energy: -113.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1570.465618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.465618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.465618 (E_RNA) where: Base-Base interactions energy: -978.782 where: short stacking energy: -447.505 Base-Backbone interact. energy: -1.768 local terms energy: -589.914936 where: bonds (distance) C4'-P energy: -153.714 bonds (distance) P-C4' energy: -160.653 flat angles C4'-P-C4' energy: -136.183 flat angles P-C4'-P energy: -85.751 tors. eta vs tors. theta energy: -53.613 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: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -1267.656398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.656398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.656398 (E_RNA) where: Base-Base interactions energy: -761.807 where: short stacking energy: -382.607 Base-Backbone interact. energy: 3.045 local terms energy: -508.894962 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -136.894 flat angles C4'-P-C4' energy: -131.038 flat angles P-C4'-P energy: -72.826 tors. eta vs tors. theta energy: -28.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3182.557232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.557232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.557232 (E_RNA) where: Base-Base interactions energy: -2238.339 where: short stacking energy: -928.277 Base-Backbone interact. energy: -1.566 local terms energy: -942.651787 where: bonds (distance) C4'-P energy: -175.527 bonds (distance) P-C4' energy: -184.697 flat angles C4'-P-C4' energy: -217.007 flat angles P-C4'-P energy: -124.436 tors. eta vs tors. theta energy: -240.985 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: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -3067.182445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.182445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.182445 (E_RNA) where: Base-Base interactions energy: -2128.616 where: short stacking energy: -921.525 Base-Backbone interact. energy: -0.931 local terms energy: -937.635667 where: bonds (distance) C4'-P energy: -175.175 bonds (distance) P-C4' energy: -186.696 flat angles C4'-P-C4' energy: -190.267 flat angles P-C4'-P energy: -124.862 tors. eta vs tors. theta energy: -260.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2919.522219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.522219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.522219 (E_RNA) where: Base-Base interactions energy: -2035.680 where: short stacking energy: -901.722 Base-Backbone interact. energy: -4.300 local terms energy: -879.542195 where: bonds (distance) C4'-P energy: -168.115 bonds (distance) P-C4' energy: -158.415 flat angles C4'-P-C4' energy: -187.381 flat angles P-C4'-P energy: -128.692 tors. eta vs tors. theta energy: -236.939 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: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2712.197435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.197435 (E_RNA) where: Base-Base interactions energy: -1862.847 where: short stacking energy: -816.136 Base-Backbone interact. energy: -3.971 local terms energy: -845.379509 where: bonds (distance) C4'-P energy: -170.548 bonds (distance) P-C4' energy: -168.650 flat angles C4'-P-C4' energy: -180.506 flat angles P-C4'-P energy: -96.362 tors. eta vs tors. theta energy: -229.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2545.124089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.124089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.124089 (E_RNA) where: Base-Base interactions energy: -1754.466 where: short stacking energy: -776.558 Base-Backbone interact. energy: -1.304 local terms energy: -789.353889 where: bonds (distance) C4'-P energy: -153.096 bonds (distance) P-C4' energy: -179.245 flat angles C4'-P-C4' energy: -165.269 flat angles P-C4'-P energy: -111.087 tors. eta vs tors. theta energy: -180.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2457.850456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.850456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.850456 (E_RNA) where: Base-Base interactions energy: -1654.542 where: short stacking energy: -763.484 Base-Backbone interact. energy: -3.103 local terms energy: -800.205569 where: bonds (distance) C4'-P energy: -152.747 bonds (distance) P-C4' energy: -161.832 flat angles C4'-P-C4' energy: -172.521 flat angles P-C4'-P energy: -131.836 tors. eta vs tors. theta energy: -181.270 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: 10 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -2157.497728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2157.497728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2157.497728 (E_RNA) where: Base-Base interactions energy: -1454.426 where: short stacking energy: -632.094 Base-Backbone interact. energy: -0.571 local terms energy: -702.500534 where: bonds (distance) C4'-P energy: -159.361 bonds (distance) P-C4' energy: -168.879 flat angles C4'-P-C4' energy: -164.812 flat angles P-C4'-P energy: -81.463 tors. eta vs tors. theta energy: -127.985 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: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1904.915861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1904.915861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1904.915861 (E_RNA) where: Base-Base interactions energy: -1224.573 where: short stacking energy: -579.737 Base-Backbone interact. energy: 1.718 local terms energy: -682.061438 where: bonds (distance) C4'-P energy: -158.104 bonds (distance) P-C4' energy: -139.868 flat angles C4'-P-C4' energy: -159.505 flat angles P-C4'-P energy: -104.950 tors. eta vs tors. theta energy: -119.634 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: 9 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1579.687527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.687527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.687527 (E_RNA) where: Base-Base interactions energy: -980.644 where: short stacking energy: -437.789 Base-Backbone interact. energy: -1.937 local terms energy: -597.106546 where: bonds (distance) C4'-P energy: -153.929 bonds (distance) P-C4' energy: -162.113 flat angles C4'-P-C4' energy: -147.255 flat angles P-C4'-P energy: -90.496 tors. eta vs tors. theta energy: -43.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -1302.225133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.225133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.225133 (E_RNA) where: Base-Base interactions energy: -781.681 where: short stacking energy: -397.881 Base-Backbone interact. energy: 3.057 local terms energy: -523.601352 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -155.029 flat angles C4'-P-C4' energy: -129.628 flat angles P-C4'-P energy: -56.264 tors. eta vs tors. theta energy: -36.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -3146.563938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.563938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.563938 (E_RNA) where: Base-Base interactions energy: -2202.620 where: short stacking energy: -938.870 Base-Backbone interact. energy: -4.332 local terms energy: -939.611633 where: bonds (distance) C4'-P energy: -188.289 bonds (distance) P-C4' energy: -189.929 flat angles C4'-P-C4' energy: -212.769 flat angles P-C4'-P energy: -111.695 tors. eta vs tors. theta energy: -236.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -3077.036670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.036670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.036670 (E_RNA) where: Base-Base interactions energy: -2142.010 where: short stacking energy: -950.759 Base-Backbone interact. energy: -0.817 local terms energy: -934.209844 where: bonds (distance) C4'-P energy: -173.538 bonds (distance) P-C4' energy: -165.721 flat angles C4'-P-C4' energy: -200.183 flat angles P-C4'-P energy: -138.453 tors. eta vs tors. theta energy: -256.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2887.748664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.748664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.748664 (E_RNA) where: Base-Base interactions energy: -1994.763 where: short stacking energy: -868.318 Base-Backbone interact. energy: -5.080 local terms energy: -887.905866 where: bonds (distance) C4'-P energy: -168.621 bonds (distance) P-C4' energy: -168.457 flat angles C4'-P-C4' energy: -199.118 flat angles P-C4'-P energy: -134.796 tors. eta vs tors. theta energy: -216.914 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: 7 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2684.022217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.022217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.022217 (E_RNA) where: Base-Base interactions energy: -1831.049 where: short stacking energy: -809.123 Base-Backbone interact. energy: -2.010 local terms energy: -850.963365 where: bonds (distance) C4'-P energy: -170.783 bonds (distance) P-C4' energy: -163.295 flat angles C4'-P-C4' energy: -198.041 flat angles P-C4'-P energy: -124.312 tors. eta vs tors. theta energy: -194.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2563.688006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.688006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.688006 (E_RNA) where: Base-Base interactions energy: -1752.687 where: short stacking energy: -766.628 Base-Backbone interact. energy: 0.748 local terms energy: -811.748342 where: bonds (distance) C4'-P energy: -143.879 bonds (distance) P-C4' energy: -186.674 flat angles C4'-P-C4' energy: -190.934 flat angles P-C4'-P energy: -112.453 tors. eta vs tors. theta energy: -177.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2501.879013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.879013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.879013 (E_RNA) where: Base-Base interactions energy: -1756.778 where: short stacking energy: -758.564 Base-Backbone interact. energy: 3.674 local terms energy: -748.774525 where: bonds (distance) C4'-P energy: -145.012 bonds (distance) P-C4' energy: -160.518 flat angles C4'-P-C4' energy: -164.500 flat angles P-C4'-P energy: -104.058 tors. eta vs tors. theta energy: -174.687 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: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -2224.559009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.559009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.559009 (E_RNA) where: Base-Base interactions energy: -1533.781 where: short stacking energy: -634.633 Base-Backbone interact. energy: -2.535 local terms energy: -688.242354 where: bonds (distance) C4'-P energy: -145.623 bonds (distance) P-C4' energy: -144.529 flat angles C4'-P-C4' energy: -177.305 flat angles P-C4'-P energy: -92.649 tors. eta vs tors. theta energy: -128.136 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: 74 Temperature: 1.250000 Total energy: -1994.135407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.135407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.135407 (E_RNA) where: Base-Base interactions energy: -1295.117 where: short stacking energy: -593.408 Base-Backbone interact. energy: -5.746 local terms energy: -693.272229 where: bonds (distance) C4'-P energy: -149.882 bonds (distance) P-C4' energy: -152.067 flat angles C4'-P-C4' energy: -157.853 flat angles P-C4'-P energy: -116.911 tors. eta vs tors. theta energy: -116.559 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: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1428.853141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.853141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.853141 (E_RNA) where: Base-Base interactions energy: -867.605 where: short stacking energy: -416.477 Base-Backbone interact. energy: -4.888 local terms energy: -556.360790 where: bonds (distance) C4'-P energy: -115.747 bonds (distance) P-C4' energy: -155.797 flat angles C4'-P-C4' energy: -135.736 flat angles P-C4'-P energy: -92.607 tors. eta vs tors. theta energy: -56.473 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: 10, replica: 9 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -1499.822257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.822257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.822257 (E_RNA) where: Base-Base interactions energy: -967.260 where: short stacking energy: -429.090 Base-Backbone interact. energy: -2.828 local terms energy: -529.733755 where: bonds (distance) C4'-P energy: -146.506 bonds (distance) P-C4' energy: -118.785 flat angles C4'-P-C4' energy: -134.643 flat angles P-C4'-P energy: -93.228 tors. eta vs tors. theta energy: -36.573 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: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3147.975430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.975430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.975430 (E_RNA) where: Base-Base interactions energy: -2239.335 where: short stacking energy: -927.071 Base-Backbone interact. energy: -3.116 local terms energy: -905.524448 where: bonds (distance) C4'-P energy: -194.327 bonds (distance) P-C4' energy: -184.032 flat angles C4'-P-C4' energy: -185.671 flat angles P-C4'-P energy: -115.348 tors. eta vs tors. theta energy: -226.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -3129.891550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.891550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.891550 (E_RNA) where: Base-Base interactions energy: -2162.129 where: short stacking energy: -940.744 Base-Backbone interact. energy: -4.277 local terms energy: -963.485170 where: bonds (distance) C4'-P energy: -159.262 bonds (distance) P-C4' energy: -185.440 flat angles C4'-P-C4' energy: -206.533 flat angles P-C4'-P energy: -146.688 tors. eta vs tors. theta energy: -265.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2915.504949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.504949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.504949 (E_RNA) where: Base-Base interactions energy: -2040.794 where: short stacking energy: -890.630 Base-Backbone interact. energy: -5.674 local terms energy: -869.037649 where: bonds (distance) C4'-P energy: -142.691 bonds (distance) P-C4' energy: -174.889 flat angles C4'-P-C4' energy: -200.250 flat angles P-C4'-P energy: -123.273 tors. eta vs tors. theta energy: -227.935 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: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2650.591894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2650.591894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2650.591894 (E_RNA) where: Base-Base interactions energy: -1836.000 where: short stacking energy: -791.800 Base-Backbone interact. energy: 1.070 local terms energy: -815.662566 where: bonds (distance) C4'-P energy: -166.031 bonds (distance) P-C4' energy: -177.875 flat angles C4'-P-C4' energy: -172.153 flat angles P-C4'-P energy: -105.195 tors. eta vs tors. theta energy: -194.409 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: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2579.999392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.999392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.999392 (E_RNA) where: Base-Base interactions energy: -1746.233 where: short stacking energy: -767.945 Base-Backbone interact. energy: 5.050 local terms energy: -838.816251 where: bonds (distance) C4'-P energy: -167.287 bonds (distance) P-C4' energy: -150.787 flat angles C4'-P-C4' energy: -189.926 flat angles P-C4'-P energy: -131.273 tors. eta vs tors. theta energy: -199.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2461.043173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.043173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.043173 (E_RNA) where: Base-Base interactions energy: -1689.119 where: short stacking energy: -740.879 Base-Backbone interact. energy: -0.146 local terms energy: -771.778347 where: bonds (distance) C4'-P energy: -171.850 bonds (distance) P-C4' energy: -157.197 flat angles C4'-P-C4' energy: -175.824 flat angles P-C4'-P energy: -96.938 tors. eta vs tors. theta energy: -169.969 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: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -2146.944435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2146.944435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2146.944435 (E_RNA) where: Base-Base interactions energy: -1473.117 where: short stacking energy: -641.274 Base-Backbone interact. energy: 0.473 local terms energy: -674.300160 where: bonds (distance) C4'-P energy: -132.001 bonds (distance) P-C4' energy: -157.566 flat angles C4'-P-C4' energy: -168.294 flat angles P-C4'-P energy: -84.394 tors. eta vs tors. theta energy: -132.046 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: 2 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -2002.430146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.430146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.430146 (E_RNA) where: Base-Base interactions energy: -1328.024 where: short stacking energy: -616.195 Base-Backbone interact. energy: -2.162 local terms energy: -672.244071 where: bonds (distance) C4'-P energy: -135.611 bonds (distance) P-C4' energy: -157.498 flat angles C4'-P-C4' energy: -167.314 flat angles P-C4'-P energy: -103.345 tors. eta vs tors. theta energy: -108.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1585.414995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.414995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.414995 (E_RNA) where: Base-Base interactions energy: -994.949 where: short stacking energy: -488.708 Base-Backbone interact. energy: 0.282 local terms energy: -590.748058 where: bonds (distance) C4'-P energy: -129.880 bonds (distance) P-C4' energy: -169.137 flat angles C4'-P-C4' energy: -150.379 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -68.982 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: 9 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -1423.093537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.093537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.093537 (E_RNA) where: Base-Base interactions energy: -949.145 where: short stacking energy: -451.578 Base-Backbone interact. energy: 0.056 local terms energy: -474.004654 where: bonds (distance) C4'-P energy: -122.132 bonds (distance) P-C4' energy: -117.882 flat angles C4'-P-C4' energy: -132.027 flat angles P-C4'-P energy: -72.850 tors. eta vs tors. theta energy: -29.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3182.354078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.354078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.354078 (E_RNA) where: Base-Base interactions energy: -2259.700 where: short stacking energy: -916.105 Base-Backbone interact. energy: -3.548 local terms energy: -919.106077 where: bonds (distance) C4'-P energy: -170.672 bonds (distance) P-C4' energy: -184.266 flat angles C4'-P-C4' energy: -202.468 flat angles P-C4'-P energy: -133.492 tors. eta vs tors. theta energy: -228.209 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -3084.484696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.484696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.484696 (E_RNA) where: Base-Base interactions energy: -2126.478 where: short stacking energy: -956.051 Base-Backbone interact. energy: -3.788 local terms energy: -954.218625 where: bonds (distance) C4'-P energy: -173.900 bonds (distance) P-C4' energy: -167.790 flat angles C4'-P-C4' energy: -211.934 flat angles P-C4'-P energy: -140.268 tors. eta vs tors. theta energy: -260.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2884.143983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.143983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.143983 (E_RNA) where: Base-Base interactions energy: -2000.613 where: short stacking energy: -889.314 Base-Backbone interact. energy: 0.174 local terms energy: -883.704469 where: bonds (distance) C4'-P energy: -164.530 bonds (distance) P-C4' energy: -174.910 flat angles C4'-P-C4' energy: -192.039 flat angles P-C4'-P energy: -126.690 tors. eta vs tors. theta energy: -225.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2652.365210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.365210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.365210 (E_RNA) where: Base-Base interactions energy: -1806.392 where: short stacking energy: -779.713 Base-Backbone interact. energy: -3.547 local terms energy: -842.426548 where: bonds (distance) C4'-P energy: -181.572 bonds (distance) P-C4' energy: -164.301 flat angles C4'-P-C4' energy: -176.665 flat angles P-C4'-P energy: -117.872 tors. eta vs tors. theta energy: -202.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2688.327939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.327939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.327939 (E_RNA) where: Base-Base interactions energy: -1839.989 where: short stacking energy: -829.392 Base-Backbone interact. energy: 1.073 local terms energy: -849.411788 where: bonds (distance) C4'-P energy: -158.492 bonds (distance) P-C4' energy: -176.737 flat angles C4'-P-C4' energy: -180.142 flat angles P-C4'-P energy: -107.649 tors. eta vs tors. theta energy: -226.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2481.539865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.539865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.539865 (E_RNA) where: Base-Base interactions energy: -1703.199 where: short stacking energy: -748.926 Base-Backbone interact. energy: -3.480 local terms energy: -774.860425 where: bonds (distance) C4'-P energy: -149.566 bonds (distance) P-C4' energy: -173.913 flat angles C4'-P-C4' energy: -182.853 flat angles P-C4'-P energy: -96.290 tors. eta vs tors. theta energy: -172.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -2162.040546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.040546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.040546 (E_RNA) where: Base-Base interactions energy: -1420.286 where: short stacking energy: -608.190 Base-Backbone interact. energy: -4.577 local terms energy: -737.177209 where: bonds (distance) C4'-P energy: -158.016 bonds (distance) P-C4' energy: -177.507 flat angles C4'-P-C4' energy: -166.358 flat angles P-C4'-P energy: -95.056 tors. eta vs tors. theta energy: -140.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1917.342779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.342779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.342779 (E_RNA) where: Base-Base interactions energy: -1262.205 where: short stacking energy: -588.396 Base-Backbone interact. energy: -0.998 local terms energy: -654.139456 where: bonds (distance) C4'-P energy: -120.557 bonds (distance) P-C4' energy: -154.026 flat angles C4'-P-C4' energy: -175.872 flat angles P-C4'-P energy: -89.808 tors. eta vs tors. theta energy: -113.876 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: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1608.472171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.472171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.472171 (E_RNA) where: Base-Base interactions energy: -1006.542 where: short stacking energy: -511.571 Base-Backbone interact. energy: 5.319 local terms energy: -607.250089 where: bonds (distance) C4'-P energy: -138.338 bonds (distance) P-C4' energy: -146.769 flat angles C4'-P-C4' energy: -149.923 flat angles P-C4'-P energy: -77.477 tors. eta vs tors. theta energy: -94.743 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: 10, replica: 9 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -1378.060270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.060270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.060270 (E_RNA) where: Base-Base interactions energy: -857.413 where: short stacking energy: -356.044 Base-Backbone interact. energy: -5.348 local terms energy: -515.300133 where: bonds (distance) C4'-P energy: -133.176 bonds (distance) P-C4' energy: -156.432 flat angles C4'-P-C4' energy: -126.487 flat angles P-C4'-P energy: -84.755 tors. eta vs tors. theta energy: -14.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -3182.119628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.119628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.119628 (E_RNA) where: Base-Base interactions energy: -2233.658 where: short stacking energy: -930.607 Base-Backbone interact. energy: -3.695 local terms energy: -944.766252 where: bonds (distance) C4'-P energy: -189.769 bonds (distance) P-C4' energy: -165.770 flat angles C4'-P-C4' energy: -208.076 flat angles P-C4'-P energy: -130.022 tors. eta vs tors. theta energy: -251.129 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: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -3055.525409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.525409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.525409 (E_RNA) where: Base-Base interactions energy: -2106.888 where: short stacking energy: -901.636 Base-Backbone interact. energy: 2.633 local terms energy: -951.270776 where: bonds (distance) C4'-P energy: -190.043 bonds (distance) P-C4' energy: -195.264 flat angles C4'-P-C4' energy: -195.442 flat angles P-C4'-P energy: -125.990 tors. eta vs tors. theta energy: -244.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2874.983692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.983692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.983692 (E_RNA) where: Base-Base interactions energy: -2004.926 where: short stacking energy: -874.666 Base-Backbone interact. energy: 3.594 local terms energy: -873.652533 where: bonds (distance) C4'-P energy: -174.027 bonds (distance) P-C4' energy: -170.251 flat angles C4'-P-C4' energy: -182.693 flat angles P-C4'-P energy: -133.148 tors. eta vs tors. theta energy: -213.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2768.276549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.276549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.276549 (E_RNA) where: Base-Base interactions energy: -1860.165 where: short stacking energy: -811.720 Base-Backbone interact. energy: -2.712 local terms energy: -905.399787 where: bonds (distance) C4'-P energy: -174.895 bonds (distance) P-C4' energy: -191.210 flat angles C4'-P-C4' energy: -204.306 flat angles P-C4'-P energy: -121.013 tors. eta vs tors. theta energy: -213.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2597.445757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.445757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.445757 (E_RNA) where: Base-Base interactions energy: -1788.943 where: short stacking energy: -771.524 Base-Backbone interact. energy: -2.232 local terms energy: -806.271263 where: bonds (distance) C4'-P energy: -152.511 bonds (distance) P-C4' energy: -167.423 flat angles C4'-P-C4' energy: -182.610 flat angles P-C4'-P energy: -113.916 tors. eta vs tors. theta energy: -189.810 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: 77 Temperature: 1.150000 Total energy: -2460.589348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.589348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.589348 (E_RNA) where: Base-Base interactions energy: -1696.064 where: short stacking energy: -730.528 Base-Backbone interact. energy: -3.091 local terms energy: -761.434783 where: bonds (distance) C4'-P energy: -139.821 bonds (distance) P-C4' energy: -182.825 flat angles C4'-P-C4' energy: -166.196 flat angles P-C4'-P energy: -110.436 tors. eta vs tors. theta energy: -162.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -2252.660672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.660672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.660672 (E_RNA) where: Base-Base interactions energy: -1512.467 where: short stacking energy: -658.489 Base-Backbone interact. energy: -2.464 local terms energy: -737.730079 where: bonds (distance) C4'-P energy: -164.481 bonds (distance) P-C4' energy: -171.358 flat angles C4'-P-C4' energy: -155.384 flat angles P-C4'-P energy: -114.291 tors. eta vs tors. theta energy: -132.216 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: 2 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1909.005451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.005451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.005451 (E_RNA) where: Base-Base interactions energy: -1269.593 where: short stacking energy: -570.350 Base-Backbone interact. energy: 1.507 local terms energy: -640.918894 where: bonds (distance) C4'-P energy: -122.103 bonds (distance) P-C4' energy: -156.885 flat angles C4'-P-C4' energy: -176.919 flat angles P-C4'-P energy: -84.075 tors. eta vs tors. theta energy: -100.937 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: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1491.307334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.307334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.307334 (E_RNA) where: Base-Base interactions energy: -934.269 where: short stacking energy: -441.754 Base-Backbone interact. energy: -1.976 local terms energy: -555.061496 where: bonds (distance) C4'-P energy: -136.809 bonds (distance) P-C4' energy: -138.488 flat angles C4'-P-C4' energy: -166.575 flat angles P-C4'-P energy: -57.868 tors. eta vs tors. theta energy: -55.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1342.284555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.284555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.284555 (E_RNA) where: Base-Base interactions energy: -812.349 where: short stacking energy: -383.500 Base-Backbone interact. energy: -0.634 local terms energy: -529.302005 where: bonds (distance) C4'-P energy: -153.739 bonds (distance) P-C4' energy: -127.050 flat angles C4'-P-C4' energy: -123.135 flat angles P-C4'-P energy: -88.433 tors. eta vs tors. theta energy: -36.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -3196.805112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.805112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.805112 (E_RNA) where: Base-Base interactions energy: -2239.972 where: short stacking energy: -944.181 Base-Backbone interact. energy: -3.904 local terms energy: -952.928803 where: bonds (distance) C4'-P energy: -172.041 bonds (distance) P-C4' energy: -190.560 flat angles C4'-P-C4' energy: -217.727 flat angles P-C4'-P energy: -130.278 tors. eta vs tors. theta energy: -242.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -3070.760795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.760795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.760795 (E_RNA) where: Base-Base interactions energy: -2133.580 where: short stacking energy: -916.138 Base-Backbone interact. energy: -3.792 local terms energy: -933.389603 where: bonds (distance) C4'-P energy: -172.961 bonds (distance) P-C4' energy: -191.889 flat angles C4'-P-C4' energy: -202.917 flat angles P-C4'-P energy: -126.309 tors. eta vs tors. theta energy: -239.313 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: 8 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2919.924327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.924327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.924327 (E_RNA) where: Base-Base interactions energy: -2001.382 where: short stacking energy: -880.898 Base-Backbone interact. energy: -3.021 local terms energy: -915.520698 where: bonds (distance) C4'-P energy: -165.479 bonds (distance) P-C4' energy: -182.707 flat angles C4'-P-C4' energy: -209.008 flat angles P-C4'-P energy: -129.401 tors. eta vs tors. theta energy: -228.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2777.331185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.331185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.331185 (E_RNA) where: Base-Base interactions energy: -1914.434 where: short stacking energy: -837.376 Base-Backbone interact. energy: -2.667 local terms energy: -860.229640 where: bonds (distance) C4'-P energy: -166.986 bonds (distance) P-C4' energy: -184.008 flat angles C4'-P-C4' energy: -183.592 flat angles P-C4'-P energy: -123.895 tors. eta vs tors. theta energy: -201.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2568.382299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.382299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.382299 (E_RNA) where: Base-Base interactions energy: -1773.011 where: short stacking energy: -784.734 Base-Backbone interact. energy: -2.760 local terms energy: -792.611103 where: bonds (distance) C4'-P energy: -143.675 bonds (distance) P-C4' energy: -157.725 flat angles C4'-P-C4' energy: -183.244 flat angles P-C4'-P energy: -111.264 tors. eta vs tors. theta energy: -196.703 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: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2511.037683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.037683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.037683 (E_RNA) where: Base-Base interactions energy: -1707.278 where: short stacking energy: -738.860 Base-Backbone interact. energy: 0.690 local terms energy: -804.450003 where: bonds (distance) C4'-P energy: -134.246 bonds (distance) P-C4' energy: -169.740 flat angles C4'-P-C4' energy: -184.501 flat angles P-C4'-P energy: -120.259 tors. eta vs tors. theta energy: -195.704 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: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -2253.586038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2253.586038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2253.586038 (E_RNA) where: Base-Base interactions energy: -1524.682 where: short stacking energy: -674.110 Base-Backbone interact. energy: -0.795 local terms energy: -728.109042 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -165.173 flat angles C4'-P-C4' energy: -161.913 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -132.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1888.138694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.138694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.138694 (E_RNA) where: Base-Base interactions energy: -1283.578 where: short stacking energy: -585.844 Base-Backbone interact. energy: -2.704 local terms energy: -601.856880 where: bonds (distance) C4'-P energy: -141.854 bonds (distance) P-C4' energy: -128.323 flat angles C4'-P-C4' energy: -144.505 flat angles P-C4'-P energy: -86.983 tors. eta vs tors. theta energy: -100.192 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: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1542.868297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.868297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.868297 (E_RNA) where: Base-Base interactions energy: -936.646 where: short stacking energy: -470.692 Base-Backbone interact. energy: 1.830 local terms energy: -608.052353 where: bonds (distance) C4'-P energy: -138.742 bonds (distance) P-C4' energy: -146.197 flat angles C4'-P-C4' energy: -163.185 flat angles P-C4'-P energy: -86.342 tors. eta vs tors. theta energy: -73.586 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: 9 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1343.878588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.878588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.878588 (E_RNA) where: Base-Base interactions energy: -776.351 where: short stacking energy: -375.211 Base-Backbone interact. energy: -4.289 local terms energy: -563.238927 where: bonds (distance) C4'-P energy: -136.771 bonds (distance) P-C4' energy: -171.711 flat angles C4'-P-C4' energy: -146.381 flat angles P-C4'-P energy: -81.070 tors. eta vs tors. theta energy: -27.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3164.224320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.224320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.224320 (E_RNA) where: Base-Base interactions energy: -2223.464 where: short stacking energy: -926.657 Base-Backbone interact. energy: 1.044 local terms energy: -941.803580 where: bonds (distance) C4'-P energy: -179.035 bonds (distance) P-C4' energy: -180.446 flat angles C4'-P-C4' energy: -212.813 flat angles P-C4'-P energy: -135.594 tors. eta vs tors. theta energy: -233.916 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: 79 Temperature: 0.950000 Total energy: -3102.038786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.038786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.038786 (E_RNA) where: Base-Base interactions energy: -2162.496 where: short stacking energy: -921.818 Base-Backbone interact. energy: -0.652 local terms energy: -938.889941 where: bonds (distance) C4'-P energy: -174.973 bonds (distance) P-C4' energy: -185.386 flat angles C4'-P-C4' energy: -198.889 flat angles P-C4'-P energy: -128.770 tors. eta vs tors. theta energy: -250.873 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: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2923.000365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.000365 (E_RNA) where: Base-Base interactions energy: -2021.289 where: short stacking energy: -867.153 Base-Backbone interact. energy: -2.663 local terms energy: -899.048264 where: bonds (distance) C4'-P energy: -168.771 bonds (distance) P-C4' energy: -179.320 flat angles C4'-P-C4' energy: -202.921 flat angles P-C4'-P energy: -113.377 tors. eta vs tors. theta energy: -234.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2788.471046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.471046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.471046 (E_RNA) where: Base-Base interactions energy: -1907.406 where: short stacking energy: -826.395 Base-Backbone interact. energy: -2.131 local terms energy: -878.933715 where: bonds (distance) C4'-P energy: -180.353 bonds (distance) P-C4' energy: -172.624 flat angles C4'-P-C4' energy: -197.174 flat angles P-C4'-P energy: -115.086 tors. eta vs tors. theta energy: -213.697 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: 79 Temperature: 1.100000 Total energy: -2536.794040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.794040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.794040 (E_RNA) where: Base-Base interactions energy: -1756.225 where: short stacking energy: -779.307 Base-Backbone interact. energy: -3.945 local terms energy: -776.624270 where: bonds (distance) C4'-P energy: -133.086 bonds (distance) P-C4' energy: -165.588 flat angles C4'-P-C4' energy: -179.057 flat angles P-C4'-P energy: -101.910 tors. eta vs tors. theta energy: -196.983 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: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2553.755637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.755637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.755637 (E_RNA) where: Base-Base interactions energy: -1755.352 where: short stacking energy: -776.140 Base-Backbone interact. energy: -2.976 local terms energy: -795.428260 where: bonds (distance) C4'-P energy: -168.142 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -183.230 flat angles P-C4'-P energy: -105.842 tors. eta vs tors. theta energy: -178.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -2205.399361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.399361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.399361 (E_RNA) where: Base-Base interactions energy: -1474.775 where: short stacking energy: -656.017 Base-Backbone interact. energy: -1.486 local terms energy: -729.138690 where: bonds (distance) C4'-P energy: -155.493 bonds (distance) P-C4' energy: -167.449 flat angles C4'-P-C4' energy: -173.232 flat angles P-C4'-P energy: -99.536 tors. eta vs tors. theta energy: -133.429 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: 8, replica: 2 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1909.925082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.925082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.925082 (E_RNA) where: Base-Base interactions energy: -1198.179 where: short stacking energy: -553.854 Base-Backbone interact. energy: -0.254 local terms energy: -711.492375 where: bonds (distance) C4'-P energy: -168.484 bonds (distance) P-C4' energy: -168.680 flat angles C4'-P-C4' energy: -153.105 flat angles P-C4'-P energy: -103.384 tors. eta vs tors. theta energy: -117.840 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: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1539.087841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.087841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.087841 (E_RNA) where: Base-Base interactions energy: -966.759 where: short stacking energy: -486.362 Base-Backbone interact. energy: -2.752 local terms energy: -569.576814 where: bonds (distance) C4'-P energy: -138.256 bonds (distance) P-C4' energy: -144.929 flat angles C4'-P-C4' energy: -125.106 flat angles P-C4'-P energy: -86.095 tors. eta vs tors. theta energy: -75.191 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: 10, replica: 9 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -1389.930429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.930429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.930429 (E_RNA) where: Base-Base interactions energy: -864.067 where: short stacking energy: -414.959 Base-Backbone interact. energy: 1.796 local terms energy: -527.658995 where: bonds (distance) C4'-P energy: -159.972 bonds (distance) P-C4' energy: -146.074 flat angles C4'-P-C4' energy: -129.002 flat angles P-C4'-P energy: -69.606 tors. eta vs tors. theta energy: -23.005 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: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3154.331043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.331043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.331043 (E_RNA) where: Base-Base interactions energy: -2213.032 where: short stacking energy: -951.214 Base-Backbone interact. energy: -5.533 local terms energy: -935.766213 where: bonds (distance) C4'-P energy: -191.263 bonds (distance) P-C4' energy: -172.243 flat angles C4'-P-C4' energy: -201.895 flat angles P-C4'-P energy: -132.092 tors. eta vs tors. theta energy: -238.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -3149.806830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.806830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.806830 (E_RNA) where: Base-Base interactions energy: -2240.773 where: short stacking energy: -962.872 Base-Backbone interact. energy: 1.598 local terms energy: -910.631825 where: bonds (distance) C4'-P energy: -162.018 bonds (distance) P-C4' energy: -168.396 flat angles C4'-P-C4' energy: -208.493 flat angles P-C4'-P energy: -121.663 tors. eta vs tors. theta energy: -250.063 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: 3, replica: 8 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2975.208476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.208476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.208476 (E_RNA) where: Base-Base interactions energy: -2053.670 where: short stacking energy: -895.502 Base-Backbone interact. energy: 0.631 local terms energy: -922.169385 where: bonds (distance) C4'-P energy: -172.658 bonds (distance) P-C4' energy: -184.648 flat angles C4'-P-C4' energy: -196.816 flat angles P-C4'-P energy: -135.568 tors. eta vs tors. theta energy: -232.479 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: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2825.104188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.104188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.104188 (E_RNA) where: Base-Base interactions energy: -1935.046 where: short stacking energy: -865.200 Base-Backbone interact. energy: -3.551 local terms energy: -886.506839 where: bonds (distance) C4'-P energy: -175.505 bonds (distance) P-C4' energy: -164.561 flat angles C4'-P-C4' energy: -185.052 flat angles P-C4'-P energy: -130.563 tors. eta vs tors. theta energy: -230.827 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: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2686.980559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.980559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.980559 (E_RNA) where: Base-Base interactions energy: -1838.472 where: short stacking energy: -771.006 Base-Backbone interact. energy: -1.750 local terms energy: -846.758741 where: bonds (distance) C4'-P energy: -160.836 bonds (distance) P-C4' energy: -165.877 flat angles C4'-P-C4' energy: -186.488 flat angles P-C4'-P energy: -132.491 tors. eta vs tors. theta energy: -201.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -2460.982753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.982753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.982753 (E_RNA) where: Base-Base interactions energy: -1668.240 where: short stacking energy: -740.300 Base-Backbone interact. energy: 1.183 local terms energy: -793.925376 where: bonds (distance) C4'-P energy: -159.943 bonds (distance) P-C4' energy: -165.028 flat angles C4'-P-C4' energy: -177.503 flat angles P-C4'-P energy: -108.116 tors. eta vs tors. theta energy: -183.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -2250.929066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2250.929066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2250.929066 (E_RNA) where: Base-Base interactions energy: -1558.051 where: short stacking energy: -661.117 Base-Backbone interact. energy: 2.783 local terms energy: -695.661157 where: bonds (distance) C4'-P energy: -144.626 bonds (distance) P-C4' energy: -155.329 flat angles C4'-P-C4' energy: -164.719 flat angles P-C4'-P energy: -83.475 tors. eta vs tors. theta energy: -147.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1920.394949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.394949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.394949 (E_RNA) where: Base-Base interactions energy: -1232.781 where: short stacking energy: -551.990 Base-Backbone interact. energy: -2.106 local terms energy: -685.507866 where: bonds (distance) C4'-P energy: -157.275 bonds (distance) P-C4' energy: -158.948 flat angles C4'-P-C4' energy: -156.649 flat angles P-C4'-P energy: -90.627 tors. eta vs tors. theta energy: -122.008 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: 9, replica: 9 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1562.748259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.748259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.748259 (E_RNA) where: Base-Base interactions energy: -967.328 where: short stacking energy: -438.838 Base-Backbone interact. energy: 2.242 local terms energy: -597.662645 where: bonds (distance) C4'-P energy: -136.073 bonds (distance) P-C4' energy: -167.077 flat angles C4'-P-C4' energy: -148.366 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -77.903 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: 3 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -1384.185881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.185881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.185881 (E_RNA) where: Base-Base interactions energy: -835.234 where: short stacking energy: -437.498 Base-Backbone interact. energy: 1.518 local terms energy: -550.470123 where: bonds (distance) C4'-P energy: -155.981 bonds (distance) P-C4' energy: -140.303 flat angles C4'-P-C4' energy: -112.298 flat angles P-C4'-P energy: -94.014 tors. eta vs tors. theta energy: -47.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -3151.836261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.836261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.836261 (E_RNA) where: Base-Base interactions energy: -2216.550 where: short stacking energy: -943.796 Base-Backbone interact. energy: -4.595 local terms energy: -930.690836 where: bonds (distance) C4'-P energy: -158.397 bonds (distance) P-C4' energy: -188.632 flat angles C4'-P-C4' energy: -192.019 flat angles P-C4'-P energy: -155.213 tors. eta vs tors. theta energy: -236.428 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: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -3103.879918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.879918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.879918 (E_RNA) where: Base-Base interactions energy: -2169.684 where: short stacking energy: -944.365 Base-Backbone interact. energy: -1.182 local terms energy: -933.014412 where: bonds (distance) C4'-P energy: -171.710 bonds (distance) P-C4' energy: -165.181 flat angles C4'-P-C4' energy: -202.714 flat angles P-C4'-P energy: -144.639 tors. eta vs tors. theta energy: -248.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2934.137972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.137972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.137972 (E_RNA) where: Base-Base interactions energy: -2031.294 where: short stacking energy: -862.983 Base-Backbone interact. energy: -4.551 local terms energy: -898.293220 where: bonds (distance) C4'-P energy: -171.199 bonds (distance) P-C4' energy: -171.024 flat angles C4'-P-C4' energy: -202.362 flat angles P-C4'-P energy: -129.702 tors. eta vs tors. theta energy: -224.005 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: 1 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2820.278651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.278651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.278651 (E_RNA) where: Base-Base interactions energy: -1935.066 where: short stacking energy: -835.209 Base-Backbone interact. energy: -2.407 local terms energy: -882.805163 where: bonds (distance) C4'-P energy: -180.611 bonds (distance) P-C4' energy: -177.116 flat angles C4'-P-C4' energy: -201.588 flat angles P-C4'-P energy: -115.218 tors. eta vs tors. theta energy: -208.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2643.809542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.809542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.809542 (E_RNA) where: Base-Base interactions energy: -1807.926 where: short stacking energy: -797.295 Base-Backbone interact. energy: -4.308 local terms energy: -831.575361 where: bonds (distance) C4'-P energy: -177.469 bonds (distance) P-C4' energy: -154.574 flat angles C4'-P-C4' energy: -193.788 flat angles P-C4'-P energy: -111.634 tors. eta vs tors. theta energy: -194.111 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: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2398.631100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.631100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.631100 (E_RNA) where: Base-Base interactions energy: -1647.745 where: short stacking energy: -686.916 Base-Backbone interact. energy: -3.215 local terms energy: -747.670860 where: bonds (distance) C4'-P energy: -156.827 bonds (distance) P-C4' energy: -151.078 flat angles C4'-P-C4' energy: -152.394 flat angles P-C4'-P energy: -119.521 tors. eta vs tors. theta energy: -167.850 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -2248.286575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2248.286575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2248.286575 (E_RNA) where: Base-Base interactions energy: -1539.842 where: short stacking energy: -665.245 Base-Backbone interact. energy: 0.853 local terms energy: -709.298228 where: bonds (distance) C4'-P energy: -145.066 bonds (distance) P-C4' energy: -155.062 flat angles C4'-P-C4' energy: -162.623 flat angles P-C4'-P energy: -108.958 tors. eta vs tors. theta energy: -137.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1992.157807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.157807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.157807 (E_RNA) where: Base-Base interactions energy: -1312.835 where: short stacking energy: -578.954 Base-Backbone interact. energy: -1.837 local terms energy: -677.486553 where: bonds (distance) C4'-P energy: -132.239 bonds (distance) P-C4' energy: -147.863 flat angles C4'-P-C4' energy: -167.588 flat angles P-C4'-P energy: -111.357 tors. eta vs tors. theta energy: -118.440 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: 9 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1603.969239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.969239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.969239 (E_RNA) where: Base-Base interactions energy: -1068.450 where: short stacking energy: -481.754 Base-Backbone interact. energy: -1.168 local terms energy: -534.351568 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -128.636 flat angles C4'-P-C4' energy: -123.013 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -66.661 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: 3 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1453.471849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.471849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.471849 (E_RNA) where: Base-Base interactions energy: -920.108 where: short stacking energy: -418.775 Base-Backbone interact. energy: -3.248 local terms energy: -530.116011 where: bonds (distance) C4'-P energy: -122.753 bonds (distance) P-C4' energy: -140.930 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -86.146 tors. eta vs tors. theta energy: -44.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3215.618335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.618335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.618335 (E_RNA) where: Base-Base interactions energy: -2243.726 where: short stacking energy: -966.467 Base-Backbone interact. energy: 1.069 local terms energy: -972.961302 where: bonds (distance) C4'-P energy: -184.294 bonds (distance) P-C4' energy: -191.638 flat angles C4'-P-C4' energy: -212.055 flat angles P-C4'-P energy: -144.733 tors. eta vs tors. theta energy: -240.241 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: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -3113.586371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.586371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.586371 (E_RNA) where: Base-Base interactions energy: -2188.892 where: short stacking energy: -948.035 Base-Backbone interact. energy: -2.270 local terms energy: -922.423756 where: bonds (distance) C4'-P energy: -147.476 bonds (distance) P-C4' energy: -177.199 flat angles C4'-P-C4' energy: -219.601 flat angles P-C4'-P energy: -131.669 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: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2979.016830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.016830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.016830 (E_RNA) where: Base-Base interactions energy: -2101.835 where: short stacking energy: -875.953 Base-Backbone interact. energy: -0.569 local terms energy: -876.611902 where: bonds (distance) C4'-P energy: -174.854 bonds (distance) P-C4' energy: -157.600 flat angles C4'-P-C4' energy: -181.463 flat angles P-C4'-P energy: -131.760 tors. eta vs tors. theta energy: -230.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2872.083241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.083241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.083241 (E_RNA) where: Base-Base interactions energy: -1962.193 where: short stacking energy: -894.263 Base-Backbone interact. energy: -0.332 local terms energy: -909.558357 where: bonds (distance) C4'-P energy: -170.931 bonds (distance) P-C4' energy: -180.604 flat angles C4'-P-C4' energy: -194.388 flat angles P-C4'-P energy: -128.649 tors. eta vs tors. theta energy: -234.987 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: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2627.716880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.716880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.716880 (E_RNA) where: Base-Base interactions energy: -1788.130 where: short stacking energy: -792.192 Base-Backbone interact. energy: -0.006 local terms energy: -839.581383 where: bonds (distance) C4'-P energy: -157.065 bonds (distance) P-C4' energy: -173.673 flat angles C4'-P-C4' energy: -186.352 flat angles P-C4'-P energy: -133.797 tors. eta vs tors. theta energy: -188.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2489.584947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.584947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.584947 (E_RNA) where: Base-Base interactions energy: -1728.556 where: short stacking energy: -752.352 Base-Backbone interact. energy: -2.865 local terms energy: -758.163903 where: bonds (distance) C4'-P energy: -175.218 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -158.988 flat angles P-C4'-P energy: -100.654 tors. eta vs tors. theta energy: -174.169 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: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -2167.276918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.276918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.276918 (E_RNA) where: Base-Base interactions energy: -1467.724 where: short stacking energy: -629.246 Base-Backbone interact. energy: 4.853 local terms energy: -704.405784 where: bonds (distance) C4'-P energy: -154.742 bonds (distance) P-C4' energy: -157.512 flat angles C4'-P-C4' energy: -162.823 flat angles P-C4'-P energy: -98.047 tors. eta vs tors. theta energy: -131.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -2017.122749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.122749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.122749 (E_RNA) where: Base-Base interactions energy: -1326.126 where: short stacking energy: -622.667 Base-Backbone interact. energy: -5.141 local terms energy: -685.855522 where: bonds (distance) C4'-P energy: -155.390 bonds (distance) P-C4' energy: -142.721 flat angles C4'-P-C4' energy: -175.148 flat angles P-C4'-P energy: -84.990 tors. eta vs tors. theta energy: -127.607 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: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1642.742314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.742314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.742314 (E_RNA) where: Base-Base interactions energy: -1055.109 where: short stacking energy: -478.167 Base-Backbone interact. energy: 3.275 local terms energy: -590.908373 where: bonds (distance) C4'-P energy: -152.733 bonds (distance) P-C4' energy: -149.621 flat angles C4'-P-C4' energy: -146.351 flat angles P-C4'-P energy: -77.754 tors. eta vs tors. theta energy: -64.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1436.169524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.169524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.169524 (E_RNA) where: Base-Base interactions energy: -878.569 where: short stacking energy: -402.868 Base-Backbone interact. energy: 3.108 local terms energy: -560.708515 where: bonds (distance) C4'-P energy: -155.151 bonds (distance) P-C4' energy: -141.713 flat angles C4'-P-C4' energy: -137.594 flat angles P-C4'-P energy: -99.122 tors. eta vs tors. theta energy: -27.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -3174.681228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.681228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.681228 (E_RNA) where: Base-Base interactions energy: -2217.092 where: short stacking energy: -962.822 Base-Backbone interact. energy: 1.142 local terms energy: -958.731676 where: bonds (distance) C4'-P energy: -185.464 bonds (distance) P-C4' energy: -187.332 flat angles C4'-P-C4' energy: -207.521 flat angles P-C4'-P energy: -130.094 tors. eta vs tors. theta energy: -248.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -3131.080547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.080547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.080547 (E_RNA) where: Base-Base interactions energy: -2169.494 where: short stacking energy: -952.857 Base-Backbone interact. energy: -3.990 local terms energy: -957.597009 where: bonds (distance) C4'-P energy: -176.089 bonds (distance) P-C4' energy: -185.898 flat angles C4'-P-C4' energy: -202.223 flat angles P-C4'-P energy: -131.191 tors. eta vs tors. theta energy: -262.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2977.741670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.741670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.741670 (E_RNA) where: Base-Base interactions energy: -2065.108 where: short stacking energy: -900.068 Base-Backbone interact. energy: -1.629 local terms energy: -911.005660 where: bonds (distance) C4'-P energy: -173.624 bonds (distance) P-C4' energy: -170.505 flat angles C4'-P-C4' energy: -208.450 flat angles P-C4'-P energy: -123.460 tors. eta vs tors. theta energy: -234.966 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2816.271853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.271853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.271853 (E_RNA) where: Base-Base interactions energy: -1916.647 where: short stacking energy: -807.307 Base-Backbone interact. energy: -0.319 local terms energy: -899.305771 where: bonds (distance) C4'-P energy: -182.236 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -184.686 flat angles P-C4'-P energy: -142.856 tors. eta vs tors. theta energy: -215.533 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: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2582.730328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.730328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.730328 (E_RNA) where: Base-Base interactions energy: -1793.107 where: short stacking energy: -771.603 Base-Backbone interact. energy: -3.324 local terms energy: -786.298786 where: bonds (distance) C4'-P energy: -158.507 bonds (distance) P-C4' energy: -166.127 flat angles C4'-P-C4' energy: -188.610 flat angles P-C4'-P energy: -95.427 tors. eta vs tors. theta energy: -177.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2455.554723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.554723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.554723 (E_RNA) where: Base-Base interactions energy: -1678.392 where: short stacking energy: -720.593 Base-Backbone interact. energy: -3.393 local terms energy: -773.769477 where: bonds (distance) C4'-P energy: -139.701 bonds (distance) P-C4' energy: -155.044 flat angles C4'-P-C4' energy: -191.910 flat angles P-C4'-P energy: -115.040 tors. eta vs tors. theta energy: -172.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -2161.324567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.324567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.324567 (E_RNA) where: Base-Base interactions energy: -1485.888 where: short stacking energy: -651.382 Base-Backbone interact. energy: 4.612 local terms energy: -680.048261 where: bonds (distance) C4'-P energy: -153.395 bonds (distance) P-C4' energy: -146.545 flat angles C4'-P-C4' energy: -171.647 flat angles P-C4'-P energy: -85.924 tors. eta vs tors. theta energy: -122.537 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: 83 Temperature: 1.250000 Total energy: -2064.185392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.185392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.185392 (E_RNA) where: Base-Base interactions energy: -1341.683 where: short stacking energy: -612.655 Base-Backbone interact. energy: 1.102 local terms energy: -723.603788 where: bonds (distance) C4'-P energy: -157.160 bonds (distance) P-C4' energy: -149.642 flat angles C4'-P-C4' energy: -165.972 flat angles P-C4'-P energy: -102.576 tors. eta vs tors. theta energy: -148.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1645.593304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.593304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.593304 (E_RNA) where: Base-Base interactions energy: -1040.655 where: short stacking energy: -474.326 Base-Backbone interact. energy: -4.318 local terms energy: -600.620060 where: bonds (distance) C4'-P energy: -142.844 bonds (distance) P-C4' energy: -153.727 flat angles C4'-P-C4' energy: -123.780 flat angles P-C4'-P energy: -92.827 tors. eta vs tors. theta energy: -87.442 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: 3 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1512.351254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.351254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.351254 (E_RNA) where: Base-Base interactions energy: -978.298 where: short stacking energy: -433.358 Base-Backbone interact. energy: -1.317 local terms energy: -532.736691 where: bonds (distance) C4'-P energy: -140.342 bonds (distance) P-C4' energy: -148.876 flat angles C4'-P-C4' energy: -140.273 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -48.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3172.904372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.904372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.904372 (E_RNA) where: Base-Base interactions energy: -2222.471 where: short stacking energy: -961.342 Base-Backbone interact. energy: -1.280 local terms energy: -949.153503 where: bonds (distance) C4'-P energy: -187.362 bonds (distance) P-C4' energy: -184.025 flat angles C4'-P-C4' energy: -196.984 flat angles P-C4'-P energy: -131.750 tors. eta vs tors. theta energy: -249.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -3154.506379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.506379 (E_RNA) where: Base-Base interactions energy: -2208.503 where: short stacking energy: -968.767 Base-Backbone interact. energy: -3.595 local terms energy: -942.408462 where: bonds (distance) C4'-P energy: -177.350 bonds (distance) P-C4' energy: -182.358 flat angles C4'-P-C4' energy: -201.674 flat angles P-C4'-P energy: -127.142 tors. eta vs tors. theta energy: -253.884 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: 3, replica: 8 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2963.988777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.988777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.988777 (E_RNA) where: Base-Base interactions energy: -2054.108 where: short stacking energy: -888.005 Base-Backbone interact. energy: 2.974 local terms energy: -912.854863 where: bonds (distance) C4'-P energy: -162.499 bonds (distance) P-C4' energy: -179.948 flat angles C4'-P-C4' energy: -219.228 flat angles P-C4'-P energy: -119.351 tors. eta vs tors. theta energy: -231.829 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: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2836.503209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.503209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.503209 (E_RNA) where: Base-Base interactions energy: -1951.513 where: short stacking energy: -901.574 Base-Backbone interact. energy: -1.614 local terms energy: -883.375970 where: bonds (distance) C4'-P energy: -161.924 bonds (distance) P-C4' energy: -151.133 flat angles C4'-P-C4' energy: -200.074 flat angles P-C4'-P energy: -123.759 tors. eta vs tors. theta energy: -246.487 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2651.203481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.203481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.203481 (E_RNA) where: Base-Base interactions energy: -1779.614 where: short stacking energy: -811.652 Base-Backbone interact. energy: -3.452 local terms energy: -868.137218 where: bonds (distance) C4'-P energy: -153.616 bonds (distance) P-C4' energy: -172.646 flat angles C4'-P-C4' energy: -193.236 flat angles P-C4'-P energy: -135.670 tors. eta vs tors. theta energy: -212.970 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: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2386.541505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.541505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.541505 (E_RNA) where: Base-Base interactions energy: -1630.591 where: short stacking energy: -690.199 Base-Backbone interact. energy: -0.005 local terms energy: -755.946289 where: bonds (distance) C4'-P energy: -165.978 bonds (distance) P-C4' energy: -158.618 flat angles C4'-P-C4' energy: -193.458 flat angles P-C4'-P energy: -94.812 tors. eta vs tors. theta energy: -143.080 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: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -2224.366206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.366206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.366206 (E_RNA) where: Base-Base interactions energy: -1506.938 where: short stacking energy: -675.983 Base-Backbone interact. energy: 4.821 local terms energy: -722.249018 where: bonds (distance) C4'-P energy: -140.999 bonds (distance) P-C4' energy: -148.846 flat angles C4'-P-C4' energy: -184.726 flat angles P-C4'-P energy: -112.482 tors. eta vs tors. theta energy: -135.195 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: 2 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -2017.202516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.202516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.202516 (E_RNA) where: Base-Base interactions energy: -1339.400 where: short stacking energy: -611.517 Base-Backbone interact. energy: -0.661 local terms energy: -677.140640 where: bonds (distance) C4'-P energy: -132.975 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -154.603 flat angles P-C4'-P energy: -95.813 tors. eta vs tors. theta energy: -130.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1624.489562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.489562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.489562 (E_RNA) where: Base-Base interactions energy: -1008.686 where: short stacking energy: -500.682 Base-Backbone interact. energy: 2.415 local terms energy: -618.218908 where: bonds (distance) C4'-P energy: -152.697 bonds (distance) P-C4' energy: -172.161 flat angles C4'-P-C4' energy: -139.102 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -83.838 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: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -1495.140141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.140141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.140141 (E_RNA) where: Base-Base interactions energy: -935.097 where: short stacking energy: -403.013 Base-Backbone interact. energy: 1.706 local terms energy: -561.749268 where: bonds (distance) C4'-P energy: -154.746 bonds (distance) P-C4' energy: -137.109 flat angles C4'-P-C4' energy: -137.483 flat angles P-C4'-P energy: -90.854 tors. eta vs tors. theta energy: -41.557 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: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3175.119759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.119759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.119759 (E_RNA) where: Base-Base interactions energy: -2219.633 where: short stacking energy: -948.601 Base-Backbone interact. energy: -2.470 local terms energy: -953.017333 where: bonds (distance) C4'-P energy: -192.114 bonds (distance) P-C4' energy: -176.587 flat angles C4'-P-C4' energy: -212.607 flat angles P-C4'-P energy: -130.893 tors. eta vs tors. theta energy: -240.816 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: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -3109.585298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.585298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.585298 (E_RNA) where: Base-Base interactions energy: -2156.120 where: short stacking energy: -966.084 Base-Backbone interact. energy: 1.698 local terms energy: -955.163229 where: bonds (distance) C4'-P energy: -172.087 bonds (distance) P-C4' energy: -177.324 flat angles C4'-P-C4' energy: -214.659 flat angles P-C4'-P energy: -132.016 tors. eta vs tors. theta energy: -259.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2985.953305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.953305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.953305 (E_RNA) where: Base-Base interactions energy: -2108.710 where: short stacking energy: -923.960 Base-Backbone interact. energy: -1.002 local terms energy: -876.241667 where: bonds (distance) C4'-P energy: -156.844 bonds (distance) P-C4' energy: -151.945 flat angles C4'-P-C4' energy: -195.880 flat angles P-C4'-P energy: -142.737 tors. eta vs tors. theta energy: -228.835 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: 1 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2833.925600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.925600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.925600 (E_RNA) where: Base-Base interactions energy: -1950.505 where: short stacking energy: -875.700 Base-Backbone interact. energy: 0.450 local terms energy: -883.871152 where: bonds (distance) C4'-P energy: -160.691 bonds (distance) P-C4' energy: -170.877 flat angles C4'-P-C4' energy: -181.317 flat angles P-C4'-P energy: -134.369 tors. eta vs tors. theta energy: -236.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2620.592451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.592451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.592451 (E_RNA) where: Base-Base interactions energy: -1816.115 where: short stacking energy: -783.965 Base-Backbone interact. energy: 2.156 local terms energy: -806.633919 where: bonds (distance) C4'-P energy: -154.157 bonds (distance) P-C4' energy: -170.497 flat angles C4'-P-C4' energy: -189.105 flat angles P-C4'-P energy: -111.869 tors. eta vs tors. theta energy: -181.006 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: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2468.225993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.225993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.225993 (E_RNA) where: Base-Base interactions energy: -1713.913 where: short stacking energy: -719.348 Base-Backbone interact. energy: 4.382 local terms energy: -758.695049 where: bonds (distance) C4'-P energy: -140.915 bonds (distance) P-C4' energy: -147.489 flat angles C4'-P-C4' energy: -210.638 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -159.766 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: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -2193.470889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.470889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.470889 (E_RNA) where: Base-Base interactions energy: -1470.364 where: short stacking energy: -655.051 Base-Backbone interact. energy: -0.519 local terms energy: -722.587677 where: bonds (distance) C4'-P energy: -134.391 bonds (distance) P-C4' energy: -159.475 flat angles C4'-P-C4' energy: -167.962 flat angles P-C4'-P energy: -111.130 tors. eta vs tors. theta energy: -149.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -2020.716748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.716748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.716748 (E_RNA) where: Base-Base interactions energy: -1313.786 where: short stacking energy: -595.710 Base-Backbone interact. energy: -0.894 local terms energy: -706.036211 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -158.836 flat angles C4'-P-C4' energy: -159.494 flat angles P-C4'-P energy: -102.321 tors. eta vs tors. theta energy: -130.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1653.582737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.582737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.582737 (E_RNA) where: Base-Base interactions energy: -1062.225 where: short stacking energy: -485.393 Base-Backbone interact. energy: 1.496 local terms energy: -592.853963 where: bonds (distance) C4'-P energy: -146.011 bonds (distance) P-C4' energy: -149.220 flat angles C4'-P-C4' energy: -124.572 flat angles P-C4'-P energy: -102.462 tors. eta vs tors. theta energy: -70.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -1422.112923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.112923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.112923 (E_RNA) where: Base-Base interactions energy: -869.055 where: short stacking energy: -371.282 Base-Backbone interact. energy: -2.792 local terms energy: -550.265945 where: bonds (distance) C4'-P energy: -134.287 bonds (distance) P-C4' energy: -159.967 flat angles C4'-P-C4' energy: -151.564 flat angles P-C4'-P energy: -72.190 tors. eta vs tors. theta energy: -32.258 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: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3151.020306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.020306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.020306 (E_RNA) where: Base-Base interactions energy: -2191.457 where: short stacking energy: -950.322 Base-Backbone interact. energy: -4.651 local terms energy: -954.911758 where: bonds (distance) C4'-P energy: -181.213 bonds (distance) P-C4' energy: -192.462 flat angles C4'-P-C4' energy: -200.930 flat angles P-C4'-P energy: -136.520 tors. eta vs tors. theta energy: -243.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -3134.382535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.382535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.382535 (E_RNA) where: Base-Base interactions energy: -2194.774 where: short stacking energy: -934.412 Base-Backbone interact. energy: -0.122 local terms energy: -939.486771 where: bonds (distance) C4'-P energy: -177.609 bonds (distance) P-C4' energy: -179.262 flat angles C4'-P-C4' energy: -200.799 flat angles P-C4'-P energy: -129.936 tors. eta vs tors. theta energy: -251.881 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: 8 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -3007.083254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.083254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.083254 (E_RNA) where: Base-Base interactions energy: -2092.855 where: short stacking energy: -897.048 Base-Backbone interact. energy: 2.701 local terms energy: -916.929910 where: bonds (distance) C4'-P energy: -164.544 bonds (distance) P-C4' energy: -174.316 flat angles C4'-P-C4' energy: -198.937 flat angles P-C4'-P energy: -140.510 tors. eta vs tors. theta energy: -238.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2835.767743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.767743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.767743 (E_RNA) where: Base-Base interactions energy: -1933.834 where: short stacking energy: -854.700 Base-Backbone interact. energy: -2.507 local terms energy: -899.426599 where: bonds (distance) C4'-P energy: -177.986 bonds (distance) P-C4' energy: -170.998 flat angles C4'-P-C4' energy: -201.986 flat angles P-C4'-P energy: -128.246 tors. eta vs tors. theta energy: -220.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2619.473948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.473948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.473948 (E_RNA) where: Base-Base interactions energy: -1780.217 where: short stacking energy: -801.186 Base-Backbone interact. energy: 0.978 local terms energy: -840.234615 where: bonds (distance) C4'-P energy: -163.158 bonds (distance) P-C4' energy: -170.426 flat angles C4'-P-C4' energy: -179.681 flat angles P-C4'-P energy: -124.186 tors. eta vs tors. theta energy: -202.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2436.975279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2436.975279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2436.975279 (E_RNA) where: Base-Base interactions energy: -1653.927 where: short stacking energy: -729.240 Base-Backbone interact. energy: -5.060 local terms energy: -777.988162 where: bonds (distance) C4'-P energy: -159.005 bonds (distance) P-C4' energy: -148.302 flat angles C4'-P-C4' energy: -178.209 flat angles P-C4'-P energy: -107.246 tors. eta vs tors. theta energy: -185.225 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: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -2173.361842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.361842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.361842 (E_RNA) where: Base-Base interactions energy: -1450.875 where: short stacking energy: -643.304 Base-Backbone interact. energy: -3.824 local terms energy: -718.663230 where: bonds (distance) C4'-P energy: -141.067 bonds (distance) P-C4' energy: -171.454 flat angles C4'-P-C4' energy: -173.843 flat angles P-C4'-P energy: -105.837 tors. eta vs tors. theta energy: -126.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -2018.331090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.331090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.331090 (E_RNA) where: Base-Base interactions energy: -1327.029 where: short stacking energy: -583.800 Base-Backbone interact. energy: 0.976 local terms energy: -692.277304 where: bonds (distance) C4'-P energy: -137.427 bonds (distance) P-C4' energy: -152.301 flat angles C4'-P-C4' energy: -166.379 flat angles P-C4'-P energy: -110.198 tors. eta vs tors. theta energy: -125.973 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: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1648.653285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.653285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.653285 (E_RNA) where: Base-Base interactions energy: -1079.149 where: short stacking energy: -503.080 Base-Backbone interact. energy: 7.672 local terms energy: -577.176700 where: bonds (distance) C4'-P energy: -128.095 bonds (distance) P-C4' energy: -142.764 flat angles C4'-P-C4' energy: -138.893 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -72.317 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: 9 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -1549.770908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.770908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.770908 (E_RNA) where: Base-Base interactions energy: -983.810 where: short stacking energy: -449.133 Base-Backbone interact. energy: 1.405 local terms energy: -567.365758 where: bonds (distance) C4'-P energy: -139.882 bonds (distance) P-C4' energy: -151.207 flat angles C4'-P-C4' energy: -141.895 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -60.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3176.149668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.149668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.149668 (E_RNA) where: Base-Base interactions energy: -2204.731 where: short stacking energy: -956.883 Base-Backbone interact. energy: -6.843 local terms energy: -964.575693 where: bonds (distance) C4'-P energy: -178.636 bonds (distance) P-C4' energy: -194.222 flat angles C4'-P-C4' energy: -214.767 flat angles P-C4'-P energy: -134.518 tors. eta vs tors. theta energy: -242.432 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: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -3144.096098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.096098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.096098 (E_RNA) where: Base-Base interactions energy: -2166.673 where: short stacking energy: -941.788 Base-Backbone interact. energy: 0.452 local terms energy: -977.874940 where: bonds (distance) C4'-P energy: -192.933 bonds (distance) P-C4' energy: -180.876 flat angles C4'-P-C4' energy: -207.391 flat angles P-C4'-P energy: -135.029 tors. eta vs tors. theta energy: -261.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2991.600442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.600442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.600442 (E_RNA) where: Base-Base interactions energy: -2109.405 where: short stacking energy: -909.167 Base-Backbone interact. energy: 1.895 local terms energy: -884.089523 where: bonds (distance) C4'-P energy: -173.832 bonds (distance) P-C4' energy: -169.451 flat angles C4'-P-C4' energy: -199.790 flat angles P-C4'-P energy: -116.357 tors. eta vs tors. theta energy: -224.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2830.741179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.741179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.741179 (E_RNA) where: Base-Base interactions energy: -1929.470 where: short stacking energy: -838.497 Base-Backbone interact. energy: -1.979 local terms energy: -899.292317 where: bonds (distance) C4'-P energy: -164.154 bonds (distance) P-C4' energy: -180.296 flat angles C4'-P-C4' energy: -197.192 flat angles P-C4'-P energy: -132.861 tors. eta vs tors. theta energy: -224.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2647.719828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.719828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.719828 (E_RNA) where: Base-Base interactions energy: -1791.652 where: short stacking energy: -780.574 Base-Backbone interact. energy: -0.979 local terms energy: -855.088693 where: bonds (distance) C4'-P energy: -151.826 bonds (distance) P-C4' energy: -181.770 flat angles C4'-P-C4' energy: -186.517 flat angles P-C4'-P energy: -127.037 tors. eta vs tors. theta energy: -207.939 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: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2444.496654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.496654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.496654 (E_RNA) where: Base-Base interactions energy: -1681.345 where: short stacking energy: -734.566 Base-Backbone interact. energy: -1.000 local terms energy: -762.152086 where: bonds (distance) C4'-P energy: -156.001 bonds (distance) P-C4' energy: -137.893 flat angles C4'-P-C4' energy: -181.044 flat angles P-C4'-P energy: -110.596 tors. eta vs tors. theta energy: -176.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -2169.874758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2169.874758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2169.874758 (E_RNA) where: Base-Base interactions energy: -1486.184 where: short stacking energy: -655.104 Base-Backbone interact. energy: -5.909 local terms energy: -677.781742 where: bonds (distance) C4'-P energy: -141.382 bonds (distance) P-C4' energy: -150.271 flat angles C4'-P-C4' energy: -152.948 flat angles P-C4'-P energy: -100.935 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: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1972.939349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.939349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.939349 (E_RNA) where: Base-Base interactions energy: -1272.484 where: short stacking energy: -563.118 Base-Backbone interact. energy: 4.443 local terms energy: -704.898589 where: bonds (distance) C4'-P energy: -169.662 bonds (distance) P-C4' energy: -141.794 flat angles C4'-P-C4' energy: -177.791 flat angles P-C4'-P energy: -102.848 tors. eta vs tors. theta energy: -112.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1717.436430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.436430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.436430 (E_RNA) where: Base-Base interactions energy: -1076.243 where: short stacking energy: -501.942 Base-Backbone interact. energy: -2.695 local terms energy: -638.497714 where: bonds (distance) C4'-P energy: -131.667 bonds (distance) P-C4' energy: -150.004 flat angles C4'-P-C4' energy: -163.745 flat angles P-C4'-P energy: -107.722 tors. eta vs tors. theta energy: -85.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1398.112725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.112725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.112725 (E_RNA) where: Base-Base interactions energy: -867.949 where: short stacking energy: -404.053 Base-Backbone interact. energy: 2.745 local terms energy: -532.908496 where: bonds (distance) C4'-P energy: -154.778 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -107.068 flat angles P-C4'-P energy: -79.320 tors. eta vs tors. theta energy: -50.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3243.964749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.964749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.964749 (E_RNA) where: Base-Base interactions energy: -2248.300 where: short stacking energy: -973.076 Base-Backbone interact. energy: -0.944 local terms energy: -994.720195 where: bonds (distance) C4'-P energy: -174.311 bonds (distance) P-C4' energy: -205.849 flat angles C4'-P-C4' energy: -213.966 flat angles P-C4'-P energy: -144.252 tors. eta vs tors. theta energy: -256.342 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: 88 Temperature: 0.950000 Total energy: -3106.055943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.055943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.055943 (E_RNA) where: Base-Base interactions energy: -2172.670 where: short stacking energy: -909.811 Base-Backbone interact. energy: -7.392 local terms energy: -925.994625 where: bonds (distance) C4'-P energy: -179.870 bonds (distance) P-C4' energy: -170.480 flat angles C4'-P-C4' energy: -208.062 flat angles P-C4'-P energy: -130.472 tors. eta vs tors. theta energy: -237.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2993.604275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.604275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.604275 (E_RNA) where: Base-Base interactions energy: -2101.048 where: short stacking energy: -883.485 Base-Backbone interact. energy: -0.719 local terms energy: -891.837285 where: bonds (distance) C4'-P energy: -154.241 bonds (distance) P-C4' energy: -168.904 flat angles C4'-P-C4' energy: -199.505 flat angles P-C4'-P energy: -135.807 tors. eta vs tors. theta energy: -233.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2832.840471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.840471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.840471 (E_RNA) where: Base-Base interactions energy: -1949.487 where: short stacking energy: -855.324 Base-Backbone interact. energy: -0.704 local terms energy: -882.649548 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -170.583 flat angles C4'-P-C4' energy: -192.831 flat angles P-C4'-P energy: -131.616 tors. eta vs tors. theta energy: -225.906 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2645.035281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.035281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.035281 (E_RNA) where: Base-Base interactions energy: -1795.600 where: short stacking energy: -816.110 Base-Backbone interact. energy: -1.784 local terms energy: -847.652114 where: bonds (distance) C4'-P energy: -137.787 bonds (distance) P-C4' energy: -167.834 flat angles C4'-P-C4' energy: -194.870 flat angles P-C4'-P energy: -125.949 tors. eta vs tors. theta energy: -221.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2388.664155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2388.664155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2388.664155 (E_RNA) where: Base-Base interactions energy: -1616.086 where: short stacking energy: -698.649 Base-Backbone interact. energy: -3.676 local terms energy: -768.902451 where: bonds (distance) C4'-P energy: -149.746 bonds (distance) P-C4' energy: -154.615 flat angles C4'-P-C4' energy: -179.839 flat angles P-C4'-P energy: -120.070 tors. eta vs tors. theta energy: -164.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -2168.882849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2168.882849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2168.882849 (E_RNA) where: Base-Base interactions energy: -1467.456 where: short stacking energy: -631.929 Base-Backbone interact. energy: -6.031 local terms energy: -695.395206 where: bonds (distance) C4'-P energy: -158.593 bonds (distance) P-C4' energy: -157.700 flat angles C4'-P-C4' energy: -153.752 flat angles P-C4'-P energy: -90.696 tors. eta vs tors. theta energy: -134.654 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: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1949.339020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.339020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.339020 (E_RNA) where: Base-Base interactions energy: -1269.997 where: short stacking energy: -581.920 Base-Backbone interact. energy: -2.001 local terms energy: -677.341359 where: bonds (distance) C4'-P energy: -151.394 bonds (distance) P-C4' energy: -166.419 flat angles C4'-P-C4' energy: -164.714 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -122.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1775.586007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.586007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.586007 (E_RNA) where: Base-Base interactions energy: -1173.807 where: short stacking energy: -524.043 Base-Backbone interact. energy: 2.836 local terms energy: -604.615944 where: bonds (distance) C4'-P energy: -140.097 bonds (distance) P-C4' energy: -152.382 flat angles C4'-P-C4' energy: -147.663 flat angles P-C4'-P energy: -80.252 tors. eta vs tors. theta energy: -84.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1398.274095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.274095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.274095 (E_RNA) where: Base-Base interactions energy: -849.378 where: short stacking energy: -392.139 Base-Backbone interact. energy: 10.275 local terms energy: -559.171599 where: bonds (distance) C4'-P energy: -144.610 bonds (distance) P-C4' energy: -165.740 flat angles C4'-P-C4' energy: -121.289 flat angles P-C4'-P energy: -73.642 tors. eta vs tors. theta energy: -53.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3235.228491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.228491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.228491 (E_RNA) where: Base-Base interactions energy: -2269.464 where: short stacking energy: -989.318 Base-Backbone interact. energy: -3.602 local terms energy: -962.162864 where: bonds (distance) C4'-P energy: -167.936 bonds (distance) P-C4' energy: -185.661 flat angles C4'-P-C4' energy: -216.923 flat angles P-C4'-P energy: -133.330 tors. eta vs tors. theta energy: -258.313 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: 5 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -3063.668898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.668898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.668898 (E_RNA) where: Base-Base interactions energy: -2152.182 where: short stacking energy: -928.106 Base-Backbone interact. energy: -5.849 local terms energy: -905.637526 where: bonds (distance) C4'-P energy: -166.172 bonds (distance) P-C4' energy: -173.418 flat angles C4'-P-C4' energy: -205.699 flat angles P-C4'-P energy: -117.608 tors. eta vs tors. theta energy: -242.741 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: 8 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -3042.122204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.122204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.122204 (E_RNA) where: Base-Base interactions energy: -2128.257 where: short stacking energy: -935.120 Base-Backbone interact. energy: -0.545 local terms energy: -913.320940 where: bonds (distance) C4'-P energy: -167.395 bonds (distance) P-C4' energy: -182.741 flat angles C4'-P-C4' energy: -200.365 flat angles P-C4'-P energy: -124.620 tors. eta vs tors. theta energy: -238.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2818.343002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.343002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.343002 (E_RNA) where: Base-Base interactions energy: -1909.195 where: short stacking energy: -859.087 Base-Backbone interact. energy: -2.590 local terms energy: -906.558088 where: bonds (distance) C4'-P energy: -174.966 bonds (distance) P-C4' energy: -170.711 flat angles C4'-P-C4' energy: -197.234 flat angles P-C4'-P energy: -136.574 tors. eta vs tors. theta energy: -227.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2662.465881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.465881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.465881 (E_RNA) where: Base-Base interactions energy: -1810.783 where: short stacking energy: -810.692 Base-Backbone interact. energy: -4.152 local terms energy: -847.530485 where: bonds (distance) C4'-P energy: -158.406 bonds (distance) P-C4' energy: -167.153 flat angles C4'-P-C4' energy: -172.924 flat angles P-C4'-P energy: -133.956 tors. eta vs tors. theta energy: -215.092 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: 89 Temperature: 1.150000 Total energy: -2393.030832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.030832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.030832 (E_RNA) where: Base-Base interactions energy: -1566.453 where: short stacking energy: -682.485 Base-Backbone interact. energy: 0.153 local terms energy: -826.730430 where: bonds (distance) C4'-P energy: -164.908 bonds (distance) P-C4' energy: -183.881 flat angles C4'-P-C4' energy: -193.414 flat angles P-C4'-P energy: -129.116 tors. eta vs tors. theta energy: -155.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2126.999529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.999529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.999529 (E_RNA) where: Base-Base interactions energy: -1412.872 where: short stacking energy: -645.534 Base-Backbone interact. energy: -2.681 local terms energy: -711.446970 where: bonds (distance) C4'-P energy: -161.044 bonds (distance) P-C4' energy: -161.811 flat angles C4'-P-C4' energy: -161.209 flat angles P-C4'-P energy: -118.911 tors. eta vs tors. theta energy: -108.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1984.701640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.701640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.701640 (E_RNA) where: Base-Base interactions energy: -1317.099 where: short stacking energy: -618.806 Base-Backbone interact. energy: -2.088 local terms energy: -665.514874 where: bonds (distance) C4'-P energy: -129.862 bonds (distance) P-C4' energy: -151.095 flat angles C4'-P-C4' energy: -160.286 flat angles P-C4'-P energy: -100.032 tors. eta vs tors. theta energy: -124.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1668.482260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.482260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.482260 (E_RNA) where: Base-Base interactions energy: -1058.384 where: short stacking energy: -507.030 Base-Backbone interact. energy: 4.120 local terms energy: -614.217726 where: bonds (distance) C4'-P energy: -146.920 bonds (distance) P-C4' energy: -150.058 flat angles C4'-P-C4' energy: -138.045 flat angles P-C4'-P energy: -91.379 tors. eta vs tors. theta energy: -87.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1426.729715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.729715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.729715 (E_RNA) where: Base-Base interactions energy: -866.693 where: short stacking energy: -402.221 Base-Backbone interact. energy: 1.050 local terms energy: -561.086306 where: bonds (distance) C4'-P energy: -143.569 bonds (distance) P-C4' energy: -147.667 flat angles C4'-P-C4' energy: -143.748 flat angles P-C4'-P energy: -81.283 tors. eta vs tors. theta energy: -44.819 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: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3230.342860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.342860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.342860 (E_RNA) where: Base-Base interactions energy: -2242.176 where: short stacking energy: -989.491 Base-Backbone interact. energy: -6.243 local terms energy: -981.923228 where: bonds (distance) C4'-P energy: -184.291 bonds (distance) P-C4' energy: -187.089 flat angles C4'-P-C4' energy: -222.430 flat angles P-C4'-P energy: -130.479 tors. eta vs tors. theta energy: -257.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -3078.623263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.623263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.623263 (E_RNA) where: Base-Base interactions energy: -2157.381 where: short stacking energy: -898.995 Base-Backbone interact. energy: -2.725 local terms energy: -918.517285 where: bonds (distance) C4'-P energy: -171.104 bonds (distance) P-C4' energy: -181.724 flat angles C4'-P-C4' energy: -186.586 flat angles P-C4'-P energy: -133.310 tors. eta vs tors. theta energy: -245.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2967.239075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.239075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.239075 (E_RNA) where: Base-Base interactions energy: -2075.441 where: short stacking energy: -887.053 Base-Backbone interact. energy: -1.659 local terms energy: -890.138845 where: bonds (distance) C4'-P energy: -150.805 bonds (distance) P-C4' energy: -183.837 flat angles C4'-P-C4' energy: -184.545 flat angles P-C4'-P energy: -135.899 tors. eta vs tors. theta energy: -235.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2855.826523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.826523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.826523 (E_RNA) where: Base-Base interactions energy: -2013.314 where: short stacking energy: -904.623 Base-Backbone interact. energy: -0.752 local terms energy: -841.760427 where: bonds (distance) C4'-P energy: -132.638 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -196.305 flat angles P-C4'-P energy: -113.731 tors. eta vs tors. theta energy: -245.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2651.650570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.650570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.650570 (E_RNA) where: Base-Base interactions energy: -1835.957 where: short stacking energy: -820.002 Base-Backbone interact. energy: -2.339 local terms energy: -813.354077 where: bonds (distance) C4'-P energy: -151.542 bonds (distance) P-C4' energy: -164.110 flat angles C4'-P-C4' energy: -184.511 flat angles P-C4'-P energy: -114.702 tors. eta vs tors. theta energy: -198.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2421.048730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.048730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.048730 (E_RNA) where: Base-Base interactions energy: -1628.537 where: short stacking energy: -718.472 Base-Backbone interact. energy: -2.596 local terms energy: -789.915301 where: bonds (distance) C4'-P energy: -164.906 bonds (distance) P-C4' energy: -178.487 flat angles C4'-P-C4' energy: -162.107 flat angles P-C4'-P energy: -102.189 tors. eta vs tors. theta energy: -182.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -2126.984805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.984805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.984805 (E_RNA) where: Base-Base interactions energy: -1457.429 where: short stacking energy: -637.107 Base-Backbone interact. energy: -0.751 local terms energy: -668.805003 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -146.746 flat angles C4'-P-C4' energy: -157.007 flat angles P-C4'-P energy: -84.803 tors. eta vs tors. theta energy: -136.460 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: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1950.331256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.331256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.331256 (E_RNA) where: Base-Base interactions energy: -1281.520 where: short stacking energy: -599.192 Base-Backbone interact. energy: 2.598 local terms energy: -671.408879 where: bonds (distance) C4'-P energy: -145.997 bonds (distance) P-C4' energy: -142.765 flat angles C4'-P-C4' energy: -156.594 flat angles P-C4'-P energy: -106.724 tors. eta vs tors. theta energy: -119.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1736.208624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.208624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.208624 (E_RNA) where: Base-Base interactions energy: -1138.858 where: short stacking energy: -540.387 Base-Backbone interact. energy: -0.192 local terms energy: -597.158517 where: bonds (distance) C4'-P energy: -121.753 bonds (distance) P-C4' energy: -142.137 flat angles C4'-P-C4' energy: -151.353 flat angles P-C4'-P energy: -94.800 tors. eta vs tors. theta energy: -87.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -1512.734745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.734745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.734745 (E_RNA) where: Base-Base interactions energy: -965.776 where: short stacking energy: -454.009 Base-Backbone interact. energy: -3.337 local terms energy: -543.621942 where: bonds (distance) C4'-P energy: -113.722 bonds (distance) P-C4' energy: -151.664 flat angles C4'-P-C4' energy: -131.376 flat angles P-C4'-P energy: -82.644 tors. eta vs tors. theta energy: -64.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3234.354262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.354262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.354262 (E_RNA) where: Base-Base interactions energy: -2270.378 where: short stacking energy: -992.431 Base-Backbone interact. energy: -0.999 local terms energy: -962.977335 where: bonds (distance) C4'-P energy: -170.851 bonds (distance) P-C4' energy: -192.786 flat angles C4'-P-C4' energy: -210.604 flat angles P-C4'-P energy: -125.156 tors. eta vs tors. theta energy: -263.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -3099.663462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.663462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.663462 (E_RNA) where: Base-Base interactions energy: -2187.076 where: short stacking energy: -937.581 Base-Backbone interact. energy: -5.650 local terms energy: -906.937823 where: bonds (distance) C4'-P energy: -161.849 bonds (distance) P-C4' energy: -187.451 flat angles C4'-P-C4' energy: -213.800 flat angles P-C4'-P energy: -105.038 tors. eta vs tors. theta energy: -238.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2952.371703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.371703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.371703 (E_RNA) where: Base-Base interactions energy: -2052.644 where: short stacking energy: -876.154 Base-Backbone interact. energy: 4.311 local terms energy: -904.038419 where: bonds (distance) C4'-P energy: -164.539 bonds (distance) P-C4' energy: -187.618 flat angles C4'-P-C4' energy: -195.804 flat angles P-C4'-P energy: -122.553 tors. eta vs tors. theta energy: -233.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2712.427781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.427781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.427781 (E_RNA) where: Base-Base interactions energy: -1840.595 where: short stacking energy: -799.996 Base-Backbone interact. energy: -3.237 local terms energy: -868.596449 where: bonds (distance) C4'-P energy: -156.893 bonds (distance) P-C4' energy: -189.906 flat angles C4'-P-C4' energy: -183.973 flat angles P-C4'-P energy: -139.346 tors. eta vs tors. theta energy: -198.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2763.184038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.184038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.184038 (E_RNA) where: Base-Base interactions energy: -1873.924 where: short stacking energy: -835.952 Base-Backbone interact. energy: -4.186 local terms energy: -885.073838 where: bonds (distance) C4'-P energy: -173.942 bonds (distance) P-C4' energy: -179.798 flat angles C4'-P-C4' energy: -188.664 flat angles P-C4'-P energy: -124.971 tors. eta vs tors. theta energy: -217.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -2326.563577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.563577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.563577 (E_RNA) where: Base-Base interactions energy: -1565.990 where: short stacking energy: -709.529 Base-Backbone interact. energy: -6.248 local terms energy: -754.325616 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -163.444 flat angles C4'-P-C4' energy: -186.567 flat angles P-C4'-P energy: -108.909 tors. eta vs tors. theta energy: -146.257 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: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -2176.141735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.141735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.141735 (E_RNA) where: Base-Base interactions energy: -1475.680 where: short stacking energy: -651.753 Base-Backbone interact. energy: 0.369 local terms energy: -700.830658 where: bonds (distance) C4'-P energy: -153.379 bonds (distance) P-C4' energy: -169.085 flat angles C4'-P-C4' energy: -162.782 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -118.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -2126.757330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.757330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.757330 (E_RNA) where: Base-Base interactions energy: -1437.503 where: short stacking energy: -608.596 Base-Backbone interact. energy: 4.911 local terms energy: -694.164566 where: bonds (distance) C4'-P energy: -166.458 bonds (distance) P-C4' energy: -144.589 flat angles C4'-P-C4' energy: -145.648 flat angles P-C4'-P energy: -112.733 tors. eta vs tors. theta energy: -124.737 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: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1698.458898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.458898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.458898 (E_RNA) where: Base-Base interactions energy: -1122.277 where: short stacking energy: -509.865 Base-Backbone interact. energy: -0.895 local terms energy: -575.286185 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -155.803 flat angles C4'-P-C4' energy: -147.224 flat angles P-C4'-P energy: -71.243 tors. eta vs tors. theta energy: -63.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1522.996408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.996408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.996408 (E_RNA) where: Base-Base interactions energy: -971.750 where: short stacking energy: -458.103 Base-Backbone interact. energy: 1.303 local terms energy: -552.549800 where: bonds (distance) C4'-P energy: -138.642 bonds (distance) P-C4' energy: -150.181 flat angles C4'-P-C4' energy: -140.197 flat angles P-C4'-P energy: -76.588 tors. eta vs tors. theta energy: -46.942 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: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3245.503691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.503691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.503691 (E_RNA) where: Base-Base interactions energy: -2258.775 where: short stacking energy: -964.766 Base-Backbone interact. energy: -4.602 local terms energy: -982.126893 where: bonds (distance) C4'-P energy: -181.054 bonds (distance) P-C4' energy: -184.430 flat angles C4'-P-C4' energy: -210.858 flat angles P-C4'-P energy: -142.725 tors. eta vs tors. theta energy: -263.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -3085.713095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.713095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.713095 (E_RNA) where: Base-Base interactions energy: -2144.097 where: short stacking energy: -897.588 Base-Backbone interact. energy: -7.282 local terms energy: -934.333876 where: bonds (distance) C4'-P energy: -182.202 bonds (distance) P-C4' energy: -176.548 flat angles C4'-P-C4' energy: -211.553 flat angles P-C4'-P energy: -126.181 tors. eta vs tors. theta energy: -237.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2973.468618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.468618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.468618 (E_RNA) where: Base-Base interactions energy: -2076.945 where: short stacking energy: -894.979 Base-Backbone interact. energy: -2.353 local terms energy: -894.170818 where: bonds (distance) C4'-P energy: -170.509 bonds (distance) P-C4' energy: -170.830 flat angles C4'-P-C4' energy: -201.914 flat angles P-C4'-P energy: -120.203 tors. eta vs tors. theta energy: -230.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2795.612854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.612854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.612854 (E_RNA) where: Base-Base interactions energy: -1944.140 where: short stacking energy: -835.611 Base-Backbone interact. energy: -0.414 local terms energy: -851.058985 where: bonds (distance) C4'-P energy: -175.333 bonds (distance) P-C4' energy: -162.088 flat angles C4'-P-C4' energy: -196.960 flat angles P-C4'-P energy: -108.231 tors. eta vs tors. theta energy: -208.448 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: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2683.621395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.621395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.621395 (E_RNA) where: Base-Base interactions energy: -1842.568 where: short stacking energy: -788.264 Base-Backbone interact. energy: -5.446 local terms energy: -835.607123 where: bonds (distance) C4'-P energy: -156.910 bonds (distance) P-C4' energy: -174.395 flat angles C4'-P-C4' energy: -181.803 flat angles P-C4'-P energy: -124.739 tors. eta vs tors. theta energy: -197.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2322.836412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.836412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.836412 (E_RNA) where: Base-Base interactions energy: -1587.355 where: short stacking energy: -719.961 Base-Backbone interact. energy: -4.661 local terms energy: -730.820528 where: bonds (distance) C4'-P energy: -153.996 bonds (distance) P-C4' energy: -147.392 flat angles C4'-P-C4' energy: -169.348 flat angles P-C4'-P energy: -88.203 tors. eta vs tors. theta energy: -171.882 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: 7, replica: 2 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -2274.530984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.530984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.530984 (E_RNA) where: Base-Base interactions energy: -1570.059 where: short stacking energy: -691.757 Base-Backbone interact. energy: 6.634 local terms energy: -711.106557 where: bonds (distance) C4'-P energy: -145.376 bonds (distance) P-C4' energy: -145.800 flat angles C4'-P-C4' energy: -175.870 flat angles P-C4'-P energy: -90.275 tors. eta vs tors. theta energy: -153.785 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: 8, replica: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -2127.263128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.263128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.263128 (E_RNA) where: Base-Base interactions energy: -1422.870 where: short stacking energy: -595.796 Base-Backbone interact. energy: 7.587 local terms energy: -711.980712 where: bonds (distance) C4'-P energy: -170.616 bonds (distance) P-C4' energy: -164.482 flat angles C4'-P-C4' energy: -170.985 flat angles P-C4'-P energy: -88.422 tors. eta vs tors. theta energy: -117.477 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: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1716.378339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.378339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.378339 (E_RNA) where: Base-Base interactions energy: -1122.900 where: short stacking energy: -554.799 Base-Backbone interact. energy: -0.705 local terms energy: -592.773315 where: bonds (distance) C4'-P energy: -163.530 bonds (distance) P-C4' energy: -141.068 flat angles C4'-P-C4' energy: -137.048 flat angles P-C4'-P energy: -68.225 tors. eta vs tors. theta energy: -82.903 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: 9 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1452.508602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.508602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.508602 (E_RNA) where: Base-Base interactions energy: -879.960 where: short stacking energy: -419.868 Base-Backbone interact. energy: 0.959 local terms energy: -573.507312 where: bonds (distance) C4'-P energy: -153.995 bonds (distance) P-C4' energy: -152.768 flat angles C4'-P-C4' energy: -155.592 flat angles P-C4'-P energy: -58.801 tors. eta vs tors. theta energy: -52.352 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: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3227.273022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.273022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.273022 (E_RNA) where: Base-Base interactions energy: -2256.456 where: short stacking energy: -981.025 Base-Backbone interact. energy: -4.832 local terms energy: -965.984600 where: bonds (distance) C4'-P energy: -173.125 bonds (distance) P-C4' energy: -186.238 flat angles C4'-P-C4' energy: -207.915 flat angles P-C4'-P energy: -135.120 tors. eta vs tors. theta energy: -263.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -3118.675537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.675537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.675537 (E_RNA) where: Base-Base interactions energy: -2151.705 where: short stacking energy: -916.710 Base-Backbone interact. energy: -1.913 local terms energy: -965.058234 where: bonds (distance) C4'-P energy: -190.833 bonds (distance) P-C4' energy: -188.745 flat angles C4'-P-C4' energy: -197.661 flat angles P-C4'-P energy: -155.020 tors. eta vs tors. theta energy: -232.798 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: 3, replica: 8 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2931.924960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.924960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.924960 (E_RNA) where: Base-Base interactions energy: -2055.590 where: short stacking energy: -863.577 Base-Backbone interact. energy: -1.212 local terms energy: -875.123265 where: bonds (distance) C4'-P energy: -180.762 bonds (distance) P-C4' energy: -164.367 flat angles C4'-P-C4' energy: -189.968 flat angles P-C4'-P energy: -130.607 tors. eta vs tors. theta energy: -209.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2829.153713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.153713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.153713 (E_RNA) where: Base-Base interactions energy: -1941.954 where: short stacking energy: -838.962 Base-Backbone interact. energy: -4.074 local terms energy: -883.126630 where: bonds (distance) C4'-P energy: -180.608 bonds (distance) P-C4' energy: -175.665 flat angles C4'-P-C4' energy: -183.569 flat angles P-C4'-P energy: -130.096 tors. eta vs tors. theta energy: -213.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2742.351180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.351180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.351180 (E_RNA) where: Base-Base interactions energy: -1890.195 where: short stacking energy: -848.372 Base-Backbone interact. energy: -3.236 local terms energy: -848.920607 where: bonds (distance) C4'-P energy: -158.656 bonds (distance) P-C4' energy: -167.542 flat angles C4'-P-C4' energy: -186.381 flat angles P-C4'-P energy: -110.617 tors. eta vs tors. theta energy: -225.725 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: 93 Temperature: 1.150000 Total energy: -2335.127964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.127964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.127964 (E_RNA) where: Base-Base interactions energy: -1588.839 where: short stacking energy: -719.839 Base-Backbone interact. energy: -1.659 local terms energy: -744.629897 where: bonds (distance) C4'-P energy: -152.202 bonds (distance) P-C4' energy: -165.080 flat angles C4'-P-C4' energy: -161.496 flat angles P-C4'-P energy: -102.186 tors. eta vs tors. theta energy: -163.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2322.436312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.436312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.436312 (E_RNA) where: Base-Base interactions energy: -1539.849 where: short stacking energy: -674.094 Base-Backbone interact. energy: 1.570 local terms energy: -784.157228 where: bonds (distance) C4'-P energy: -178.032 bonds (distance) P-C4' energy: -173.468 flat angles C4'-P-C4' energy: -168.851 flat angles P-C4'-P energy: -113.263 tors. eta vs tors. theta energy: -150.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -2026.677863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.677863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.677863 (E_RNA) where: Base-Base interactions energy: -1345.603 where: short stacking energy: -584.383 Base-Backbone interact. energy: -4.208 local terms energy: -676.866366 where: bonds (distance) C4'-P energy: -148.574 bonds (distance) P-C4' energy: -155.459 flat angles C4'-P-C4' energy: -160.238 flat angles P-C4'-P energy: -94.777 tors. eta vs tors. theta energy: -117.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1693.511261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.511261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.511261 (E_RNA) where: Base-Base interactions energy: -1084.081 where: short stacking energy: -505.853 Base-Backbone interact. energy: -3.255 local terms energy: -606.176103 where: bonds (distance) C4'-P energy: -135.222 bonds (distance) P-C4' energy: -122.256 flat angles C4'-P-C4' energy: -156.034 flat angles P-C4'-P energy: -107.068 tors. eta vs tors. theta energy: -85.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1477.811122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.811122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.811122 (E_RNA) where: Base-Base interactions energy: -926.458 where: short stacking energy: -431.703 Base-Backbone interact. energy: -2.252 local terms energy: -549.101160 where: bonds (distance) C4'-P energy: -143.171 bonds (distance) P-C4' energy: -149.723 flat angles C4'-P-C4' energy: -136.974 flat angles P-C4'-P energy: -64.917 tors. eta vs tors. theta energy: -54.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3280.599115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.599115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.599115 (E_RNA) where: Base-Base interactions energy: -2298.045 where: short stacking energy: -971.878 Base-Backbone interact. energy: -4.305 local terms energy: -978.248561 where: bonds (distance) C4'-P energy: -177.005 bonds (distance) P-C4' energy: -178.717 flat angles C4'-P-C4' energy: -212.995 flat angles P-C4'-P energy: -145.924 tors. eta vs tors. theta energy: -263.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -3090.374845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.374845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.374845 (E_RNA) where: Base-Base interactions energy: -2151.095 where: short stacking energy: -897.303 Base-Backbone interact. energy: -5.541 local terms energy: -933.738967 where: bonds (distance) C4'-P energy: -169.958 bonds (distance) P-C4' energy: -190.256 flat angles C4'-P-C4' energy: -210.753 flat angles P-C4'-P energy: -142.455 tors. eta vs tors. theta energy: -220.316 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: 3, replica: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2944.205261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.205261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.205261 (E_RNA) where: Base-Base interactions energy: -2059.175 where: short stacking energy: -877.704 Base-Backbone interact. energy: 4.237 local terms energy: -889.266419 where: bonds (distance) C4'-P energy: -159.277 bonds (distance) P-C4' energy: -167.987 flat angles C4'-P-C4' energy: -194.991 flat angles P-C4'-P energy: -140.172 tors. eta vs tors. theta energy: -226.839 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2790.618768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.618768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.618768 (E_RNA) where: Base-Base interactions energy: -1982.961 where: short stacking energy: -843.616 Base-Backbone interact. energy: -2.294 local terms energy: -805.363130 where: bonds (distance) C4'-P energy: -167.674 bonds (distance) P-C4' energy: -145.698 flat angles C4'-P-C4' energy: -171.326 flat angles P-C4'-P energy: -120.870 tors. eta vs tors. theta energy: -199.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2733.554832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.554832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.554832 (E_RNA) where: Base-Base interactions energy: -1905.210 where: short stacking energy: -839.763 Base-Backbone interact. energy: -1.870 local terms energy: -826.474314 where: bonds (distance) C4'-P energy: -165.174 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -176.577 flat angles P-C4'-P energy: -130.451 tors. eta vs tors. theta energy: -204.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2417.833982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.833982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.833982 (E_RNA) where: Base-Base interactions energy: -1667.751 where: short stacking energy: -722.160 Base-Backbone interact. energy: -2.715 local terms energy: -747.368314 where: bonds (distance) C4'-P energy: -158.321 bonds (distance) P-C4' energy: -150.194 flat angles C4'-P-C4' energy: -171.856 flat angles P-C4'-P energy: -101.708 tors. eta vs tors. theta energy: -165.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2268.962259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.962259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.962259 (E_RNA) where: Base-Base interactions energy: -1544.143 where: short stacking energy: -669.970 Base-Backbone interact. energy: -3.551 local terms energy: -721.268081 where: bonds (distance) C4'-P energy: -150.554 bonds (distance) P-C4' energy: -159.322 flat angles C4'-P-C4' energy: -179.139 flat angles P-C4'-P energy: -94.246 tors. eta vs tors. theta energy: -138.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -2029.572994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.572994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.572994 (E_RNA) where: Base-Base interactions energy: -1386.340 where: short stacking energy: -586.261 Base-Backbone interact. energy: -3.326 local terms energy: -639.907742 where: bonds (distance) C4'-P energy: -148.097 bonds (distance) P-C4' energy: -133.577 flat angles C4'-P-C4' energy: -149.248 flat angles P-C4'-P energy: -103.819 tors. eta vs tors. theta energy: -105.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1573.631837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.631837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.631837 (E_RNA) where: Base-Base interactions energy: -988.478 where: short stacking energy: -445.628 Base-Backbone interact. energy: -1.901 local terms energy: -583.252901 where: bonds (distance) C4'-P energy: -137.982 bonds (distance) P-C4' energy: -159.304 flat angles C4'-P-C4' energy: -136.294 flat angles P-C4'-P energy: -97.520 tors. eta vs tors. theta energy: -52.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1545.097193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.097193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.097193 (E_RNA) where: Base-Base interactions energy: -1005.847 where: short stacking energy: -449.945 Base-Backbone interact. energy: 1.545 local terms energy: -540.795246 where: bonds (distance) C4'-P energy: -135.286 bonds (distance) P-C4' energy: -159.017 flat angles C4'-P-C4' energy: -119.920 flat angles P-C4'-P energy: -66.498 tors. eta vs tors. theta energy: -60.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3242.254782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.254782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.254782 (E_RNA) where: Base-Base interactions energy: -2275.953 where: short stacking energy: -955.824 Base-Backbone interact. energy: -3.251 local terms energy: -963.050301 where: bonds (distance) C4'-P energy: -172.108 bonds (distance) P-C4' energy: -189.776 flat angles C4'-P-C4' energy: -205.180 flat angles P-C4'-P energy: -151.508 tors. eta vs tors. theta energy: -244.478 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: 5 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -3059.388993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.388993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.388993 (E_RNA) where: Base-Base interactions energy: -2141.147 where: short stacking energy: -906.942 Base-Backbone interact. energy: -8.673 local terms energy: -909.569524 where: bonds (distance) C4'-P energy: -177.319 bonds (distance) P-C4' energy: -166.243 flat angles C4'-P-C4' energy: -200.162 flat angles P-C4'-P energy: -140.505 tors. eta vs tors. theta energy: -225.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2947.510860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.510860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.510860 (E_RNA) where: Base-Base interactions energy: -2041.955 where: short stacking energy: -835.064 Base-Backbone interact. energy: -2.685 local terms energy: -902.871463 where: bonds (distance) C4'-P energy: -172.934 bonds (distance) P-C4' energy: -175.232 flat angles C4'-P-C4' energy: -199.010 flat angles P-C4'-P energy: -131.603 tors. eta vs tors. theta energy: -224.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2830.026798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.026798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.026798 (E_RNA) where: Base-Base interactions energy: -1949.284 where: short stacking energy: -824.999 Base-Backbone interact. energy: 0.827 local terms energy: -881.569545 where: bonds (distance) C4'-P energy: -173.687 bonds (distance) P-C4' energy: -169.607 flat angles C4'-P-C4' energy: -190.901 flat angles P-C4'-P energy: -123.034 tors. eta vs tors. theta energy: -224.341 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: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2708.245666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.245666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.245666 (E_RNA) where: Base-Base interactions energy: -1843.721 where: short stacking energy: -801.116 Base-Backbone interact. energy: -3.642 local terms energy: -860.883500 where: bonds (distance) C4'-P energy: -162.930 bonds (distance) P-C4' energy: -183.207 flat angles C4'-P-C4' energy: -195.921 flat angles P-C4'-P energy: -114.935 tors. eta vs tors. theta energy: -203.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2437.104603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.104603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.104603 (E_RNA) where: Base-Base interactions energy: -1620.682 where: short stacking energy: -749.092 Base-Backbone interact. energy: -2.384 local terms energy: -814.038030 where: bonds (distance) C4'-P energy: -160.416 bonds (distance) P-C4' energy: -168.671 flat angles C4'-P-C4' energy: -173.388 flat angles P-C4'-P energy: -121.323 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: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2329.245031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.245031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.245031 (E_RNA) where: Base-Base interactions energy: -1593.341 where: short stacking energy: -662.652 Base-Backbone interact. energy: -1.056 local terms energy: -734.847481 where: bonds (distance) C4'-P energy: -156.709 bonds (distance) P-C4' energy: -164.154 flat angles C4'-P-C4' energy: -172.534 flat angles P-C4'-P energy: -91.325 tors. eta vs tors. theta energy: -150.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -2046.007914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.007914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.007914 (E_RNA) where: Base-Base interactions energy: -1389.977 where: short stacking energy: -591.052 Base-Backbone interact. energy: 3.867 local terms energy: -659.897396 where: bonds (distance) C4'-P energy: -150.589 bonds (distance) P-C4' energy: -155.936 flat angles C4'-P-C4' energy: -177.982 flat angles P-C4'-P energy: -87.377 tors. eta vs tors. theta energy: -88.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1645.937908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.937908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.937908 (E_RNA) where: Base-Base interactions energy: -1046.463 where: short stacking energy: -479.878 Base-Backbone interact. energy: 5.628 local terms energy: -605.102545 where: bonds (distance) C4'-P energy: -144.477 bonds (distance) P-C4' energy: -165.925 flat angles C4'-P-C4' energy: -132.150 flat angles P-C4'-P energy: -83.480 tors. eta vs tors. theta energy: -79.070 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: 9 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1491.773462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.773462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.773462 (E_RNA) where: Base-Base interactions energy: -965.898 where: short stacking energy: -476.244 Base-Backbone interact. energy: 4.587 local terms energy: -530.462809 where: bonds (distance) C4'-P energy: -115.550 bonds (distance) P-C4' energy: -123.193 flat angles C4'-P-C4' energy: -157.717 flat angles P-C4'-P energy: -73.217 tors. eta vs tors. theta energy: -60.786 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: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3256.018171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.018171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.018171 (E_RNA) where: Base-Base interactions energy: -2271.495 where: short stacking energy: -967.274 Base-Backbone interact. energy: -4.149 local terms energy: -980.374169 where: bonds (distance) C4'-P energy: -184.841 bonds (distance) P-C4' energy: -195.607 flat angles C4'-P-C4' energy: -216.458 flat angles P-C4'-P energy: -128.065 tors. eta vs tors. theta energy: -255.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -3085.287119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.287119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.287119 (E_RNA) where: Base-Base interactions energy: -2163.523 where: short stacking energy: -925.335 Base-Backbone interact. energy: -4.721 local terms energy: -917.043278 where: bonds (distance) C4'-P energy: -178.605 bonds (distance) P-C4' energy: -182.100 flat angles C4'-P-C4' energy: -194.385 flat angles P-C4'-P energy: -122.478 tors. eta vs tors. theta energy: -239.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2944.221935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.221935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.221935 (E_RNA) where: Base-Base interactions energy: -2110.588 where: short stacking energy: -883.760 Base-Backbone interact. energy: 6.438 local terms energy: -840.072090 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -152.713 flat angles C4'-P-C4' energy: -188.553 flat angles P-C4'-P energy: -132.502 tors. eta vs tors. theta energy: -220.048 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: 1 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2784.049564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.049564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.049564 (E_RNA) where: Base-Base interactions energy: -1894.106 where: short stacking energy: -837.025 Base-Backbone interact. energy: -3.506 local terms energy: -886.437752 where: bonds (distance) C4'-P energy: -173.010 bonds (distance) P-C4' energy: -172.974 flat angles C4'-P-C4' energy: -194.217 flat angles P-C4'-P energy: -121.659 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: 5, replica: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2766.808010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.808010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.808010 (E_RNA) where: Base-Base interactions energy: -1887.907 where: short stacking energy: -866.971 Base-Backbone interact. energy: 4.167 local terms energy: -883.067935 where: bonds (distance) C4'-P energy: -164.434 bonds (distance) P-C4' energy: -168.342 flat angles C4'-P-C4' energy: -199.563 flat angles P-C4'-P energy: -129.204 tors. eta vs tors. theta energy: -221.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2439.983893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.983893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.983893 (E_RNA) where: Base-Base interactions energy: -1679.737 where: short stacking energy: -739.358 Base-Backbone interact. energy: -0.899 local terms energy: -759.348042 where: bonds (distance) C4'-P energy: -149.795 bonds (distance) P-C4' energy: -162.058 flat angles C4'-P-C4' energy: -170.765 flat angles P-C4'-P energy: -100.927 tors. eta vs tors. theta energy: -175.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2385.781311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.781311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.781311 (E_RNA) where: Base-Base interactions energy: -1640.089 where: short stacking energy: -707.094 Base-Backbone interact. energy: 1.730 local terms energy: -747.422149 where: bonds (distance) C4'-P energy: -157.974 bonds (distance) P-C4' energy: -163.777 flat angles C4'-P-C4' energy: -168.726 flat angles P-C4'-P energy: -95.120 tors. eta vs tors. theta energy: -161.826 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: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -2066.908647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.908647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.908647 (E_RNA) where: Base-Base interactions energy: -1404.013 where: short stacking energy: -625.355 Base-Backbone interact. energy: -0.890 local terms energy: -662.005999 where: bonds (distance) C4'-P energy: -144.976 bonds (distance) P-C4' energy: -148.119 flat angles C4'-P-C4' energy: -148.561 flat angles P-C4'-P energy: -105.181 tors. eta vs tors. theta energy: -115.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1583.655965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.655965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.655965 (E_RNA) where: Base-Base interactions energy: -988.428 where: short stacking energy: -435.429 Base-Backbone interact. energy: 2.606 local terms energy: -597.833545 where: bonds (distance) C4'-P energy: -132.754 bonds (distance) P-C4' energy: -173.716 flat angles C4'-P-C4' energy: -135.661 flat angles P-C4'-P energy: -91.206 tors. eta vs tors. theta energy: -64.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1397.985130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.985130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.985130 (E_RNA) where: Base-Base interactions energy: -839.038 where: short stacking energy: -409.143 Base-Backbone interact. energy: 6.071 local terms energy: -565.018949 where: bonds (distance) C4'-P energy: -143.507 bonds (distance) P-C4' energy: -151.386 flat angles C4'-P-C4' energy: -139.501 flat angles P-C4'-P energy: -84.314 tors. eta vs tors. theta energy: -46.312 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: 1, replica: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3228.586359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.586359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.586359 (E_RNA) where: Base-Base interactions energy: -2233.015 where: short stacking energy: -968.905 Base-Backbone interact. energy: 0.214 local terms energy: -995.784627 where: bonds (distance) C4'-P energy: -176.923 bonds (distance) P-C4' energy: -195.117 flat angles C4'-P-C4' energy: -213.610 flat angles P-C4'-P energy: -149.097 tors. eta vs tors. theta energy: -261.038 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: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -3064.333857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.333857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.333857 (E_RNA) where: Base-Base interactions energy: -2126.460 where: short stacking energy: -879.952 Base-Backbone interact. energy: -3.953 local terms energy: -933.920850 where: bonds (distance) C4'-P energy: -181.769 bonds (distance) P-C4' energy: -186.825 flat angles C4'-P-C4' energy: -203.922 flat angles P-C4'-P energy: -132.749 tors. eta vs tors. theta energy: -228.654 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: 5 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -3018.832120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.832120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.832120 (E_RNA) where: Base-Base interactions energy: -2143.869 where: short stacking energy: -862.584 Base-Backbone interact. energy: -3.274 local terms energy: -871.688705 where: bonds (distance) C4'-P energy: -164.217 bonds (distance) P-C4' energy: -167.086 flat angles C4'-P-C4' energy: -191.714 flat angles P-C4'-P energy: -131.417 tors. eta vs tors. theta energy: -217.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2826.740558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.740558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.740558 (E_RNA) where: Base-Base interactions energy: -1959.439 where: short stacking energy: -836.834 Base-Backbone interact. energy: -1.689 local terms energy: -865.612793 where: bonds (distance) C4'-P energy: -159.704 bonds (distance) P-C4' energy: -162.739 flat angles C4'-P-C4' energy: -182.841 flat angles P-C4'-P energy: -126.781 tors. eta vs tors. theta energy: -233.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2695.602506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.602506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.602506 (E_RNA) where: Base-Base interactions energy: -1863.773 where: short stacking energy: -835.450 Base-Backbone interact. energy: -1.207 local terms energy: -830.622645 where: bonds (distance) C4'-P energy: -166.222 bonds (distance) P-C4' energy: -160.185 flat angles C4'-P-C4' energy: -180.322 flat angles P-C4'-P energy: -115.799 tors. eta vs tors. theta energy: -208.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -2500.566910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.566910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.566910 (E_RNA) where: Base-Base interactions energy: -1724.906 where: short stacking energy: -778.584 Base-Backbone interact. energy: -0.465 local terms energy: -775.195971 where: bonds (distance) C4'-P energy: -143.013 bonds (distance) P-C4' energy: -161.813 flat angles C4'-P-C4' energy: -169.695 flat angles P-C4'-P energy: -115.566 tors. eta vs tors. theta energy: -185.110 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: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2318.225812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.225812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.225812 (E_RNA) where: Base-Base interactions energy: -1605.748 where: short stacking energy: -686.264 Base-Backbone interact. energy: -1.957 local terms energy: -710.520057 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -147.526 flat angles C4'-P-C4' energy: -157.845 flat angles P-C4'-P energy: -125.332 tors. eta vs tors. theta energy: -140.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -2073.001033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.001033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.001033 (E_RNA) where: Base-Base interactions energy: -1421.326 where: short stacking energy: -589.366 Base-Backbone interact. energy: 1.057 local terms energy: -652.732038 where: bonds (distance) C4'-P energy: -146.319 bonds (distance) P-C4' energy: -140.251 flat angles C4'-P-C4' energy: -155.982 flat angles P-C4'-P energy: -88.440 tors. eta vs tors. theta energy: -121.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1572.590716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.590716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.590716 (E_RNA) where: Base-Base interactions energy: -1038.855 where: short stacking energy: -489.193 Base-Backbone interact. energy: -1.229 local terms energy: -532.506462 where: bonds (distance) C4'-P energy: -106.871 bonds (distance) P-C4' energy: -148.908 flat angles C4'-P-C4' energy: -136.695 flat angles P-C4'-P energy: -70.268 tors. eta vs tors. theta energy: -69.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -1382.504385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.504385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.504385 (E_RNA) where: Base-Base interactions energy: -812.836 where: short stacking energy: -405.230 Base-Backbone interact. energy: 0.041 local terms energy: -569.709164 where: bonds (distance) C4'-P energy: -152.238 bonds (distance) P-C4' energy: -161.247 flat angles C4'-P-C4' energy: -134.017 flat angles P-C4'-P energy: -74.496 tors. eta vs tors. theta energy: -47.710 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: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3240.491962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.491962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.491962 (E_RNA) where: Base-Base interactions energy: -2242.885 where: short stacking energy: -962.781 Base-Backbone interact. energy: 2.987 local terms energy: -1000.594458 where: bonds (distance) C4'-P energy: -180.526 bonds (distance) P-C4' energy: -183.151 flat angles C4'-P-C4' energy: -230.008 flat angles P-C4'-P energy: -146.673 tors. eta vs tors. theta energy: -260.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -3097.248007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.248007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.248007 (E_RNA) where: Base-Base interactions energy: -2175.200 where: short stacking energy: -929.375 Base-Backbone interact. energy: -0.294 local terms energy: -921.754287 where: bonds (distance) C4'-P energy: -173.577 bonds (distance) P-C4' energy: -180.725 flat angles C4'-P-C4' energy: -197.889 flat angles P-C4'-P energy: -131.231 tors. eta vs tors. theta energy: -238.331 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: 5 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -3004.407737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.407737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.407737 (E_RNA) where: Base-Base interactions energy: -2112.186 where: short stacking energy: -900.138 Base-Backbone interact. energy: -0.959 local terms energy: -891.262736 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -176.809 flat angles C4'-P-C4' energy: -216.076 flat angles P-C4'-P energy: -116.005 tors. eta vs tors. theta energy: -222.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2858.562370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.562370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.562370 (E_RNA) where: Base-Base interactions energy: -1952.767 where: short stacking energy: -875.923 Base-Backbone interact. energy: -5.031 local terms energy: -900.763863 where: bonds (distance) C4'-P energy: -167.426 bonds (distance) P-C4' energy: -157.080 flat angles C4'-P-C4' energy: -207.838 flat angles P-C4'-P energy: -133.981 tors. eta vs tors. theta energy: -234.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -2704.114595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.114595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.114595 (E_RNA) where: Base-Base interactions energy: -1880.604 where: short stacking energy: -803.249 Base-Backbone interact. energy: 4.007 local terms energy: -827.517775 where: bonds (distance) C4'-P energy: -156.005 bonds (distance) P-C4' energy: -162.422 flat angles C4'-P-C4' energy: -186.546 flat angles P-C4'-P energy: -134.596 tors. eta vs tors. theta energy: -187.950 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: 2 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2452.736851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.736851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.736851 (E_RNA) where: Base-Base interactions energy: -1678.359 where: short stacking energy: -726.155 Base-Backbone interact. energy: 0.101 local terms energy: -774.478645 where: bonds (distance) C4'-P energy: -158.100 bonds (distance) P-C4' energy: -158.712 flat angles C4'-P-C4' energy: -189.172 flat angles P-C4'-P energy: -101.336 tors. eta vs tors. theta energy: -167.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2307.696974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.696974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.696974 (E_RNA) where: Base-Base interactions energy: -1597.974 where: short stacking energy: -714.029 Base-Backbone interact. energy: -1.630 local terms energy: -708.093104 where: bonds (distance) C4'-P energy: -144.781 bonds (distance) P-C4' energy: -125.891 flat angles C4'-P-C4' energy: -166.045 flat angles P-C4'-P energy: -97.918 tors. eta vs tors. theta energy: -173.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -2022.673928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.673928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.673928 (E_RNA) where: Base-Base interactions energy: -1373.033 where: short stacking energy: -574.010 Base-Backbone interact. energy: -3.168 local terms energy: -646.473463 where: bonds (distance) C4'-P energy: -154.731 bonds (distance) P-C4' energy: -151.864 flat angles C4'-P-C4' energy: -145.752 flat angles P-C4'-P energy: -104.907 tors. eta vs tors. theta energy: -89.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1567.969540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.969540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.969540 (E_RNA) where: Base-Base interactions energy: -982.535 where: short stacking energy: -469.599 Base-Backbone interact. energy: 3.629 local terms energy: -589.063636 where: bonds (distance) C4'-P energy: -148.650 bonds (distance) P-C4' energy: -147.535 flat angles C4'-P-C4' energy: -134.563 flat angles P-C4'-P energy: -77.171 tors. eta vs tors. theta energy: -81.144 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: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -1373.197299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.197299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.197299 (E_RNA) where: Base-Base interactions energy: -815.757 where: short stacking energy: -393.029 Base-Backbone interact. energy: 0.143 local terms energy: -557.582764 where: bonds (distance) C4'-P energy: -161.271 bonds (distance) P-C4' energy: -144.427 flat angles C4'-P-C4' energy: -118.401 flat angles P-C4'-P energy: -92.636 tors. eta vs tors. theta energy: -40.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3241.953901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.953901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.953901 (E_RNA) where: Base-Base interactions energy: -2260.078 where: short stacking energy: -972.065 Base-Backbone interact. energy: -1.555 local terms energy: -980.321032 where: bonds (distance) C4'-P energy: -181.971 bonds (distance) P-C4' energy: -182.175 flat angles C4'-P-C4' energy: -215.660 flat angles P-C4'-P energy: -139.125 tors. eta vs tors. theta energy: -261.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -3120.220310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.220310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.220310 (E_RNA) where: Base-Base interactions energy: -2178.179 where: short stacking energy: -955.609 Base-Backbone interact. energy: -6.008 local terms energy: -936.033372 where: bonds (distance) C4'-P energy: -172.131 bonds (distance) P-C4' energy: -175.137 flat angles C4'-P-C4' energy: -207.640 flat angles P-C4'-P energy: -133.210 tors. eta vs tors. theta energy: -247.915 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: 99 Temperature: 1.000000 Total energy: -2982.730971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.730971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.730971 (E_RNA) where: Base-Base interactions energy: -2072.959 where: short stacking energy: -884.315 Base-Backbone interact. energy: -3.098 local terms energy: -906.673673 where: bonds (distance) C4'-P energy: -171.523 bonds (distance) P-C4' energy: -179.649 flat angles C4'-P-C4' energy: -205.121 flat angles P-C4'-P energy: -125.746 tors. eta vs tors. theta energy: -224.634 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: 4, replica: 1 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2781.803780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.803780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.803780 (E_RNA) where: Base-Base interactions energy: -1934.958 where: short stacking energy: -882.024 Base-Backbone interact. energy: 2.404 local terms energy: -849.249892 where: bonds (distance) C4'-P energy: -152.159 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -189.478 flat angles P-C4'-P energy: -125.490 tors. eta vs tors. theta energy: -230.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2671.124313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.124313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.124313 (E_RNA) where: Base-Base interactions energy: -1828.189 where: short stacking energy: -813.186 Base-Backbone interact. energy: -4.414 local terms energy: -838.522189 where: bonds (distance) C4'-P energy: -163.843 bonds (distance) P-C4' energy: -172.576 flat angles C4'-P-C4' energy: -180.777 flat angles P-C4'-P energy: -122.705 tors. eta vs tors. theta energy: -198.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2544.796136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.796136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.796136 (E_RNA) where: Base-Base interactions energy: -1763.819 where: short stacking energy: -768.670 Base-Backbone interact. energy: -1.054 local terms energy: -779.923576 where: bonds (distance) C4'-P energy: -165.518 bonds (distance) P-C4' energy: -158.020 flat angles C4'-P-C4' energy: -173.266 flat angles P-C4'-P energy: -100.089 tors. eta vs tors. theta energy: -183.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2281.302539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.302539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.302539 (E_RNA) where: Base-Base interactions energy: -1540.490 where: short stacking energy: -697.898 Base-Backbone interact. energy: -3.743 local terms energy: -737.068895 where: bonds (distance) C4'-P energy: -154.087 bonds (distance) P-C4' energy: -144.095 flat angles C4'-P-C4' energy: -178.169 flat angles P-C4'-P energy: -98.431 tors. eta vs tors. theta energy: -162.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -2107.317107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.317107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.317107 (E_RNA) where: Base-Base interactions energy: -1453.550 where: short stacking energy: -608.239 Base-Backbone interact. energy: -1.872 local terms energy: -651.895193 where: bonds (distance) C4'-P energy: -150.258 bonds (distance) P-C4' energy: -144.442 flat angles C4'-P-C4' energy: -142.013 flat angles P-C4'-P energy: -106.206 tors. eta vs tors. theta energy: -108.977 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: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1630.212361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.212361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.212361 (E_RNA) where: Base-Base interactions energy: -1071.316 where: short stacking energy: -463.969 Base-Backbone interact. energy: 1.105 local terms energy: -560.001417 where: bonds (distance) C4'-P energy: -139.937 bonds (distance) P-C4' energy: -141.073 flat angles C4'-P-C4' energy: -125.376 flat angles P-C4'-P energy: -103.728 tors. eta vs tors. theta energy: -49.886 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: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1269.206562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.206562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.206562 (E_RNA) where: Base-Base interactions energy: -764.937 where: short stacking energy: -398.776 Base-Backbone interact. energy: 5.655 local terms energy: -509.924101 where: bonds (distance) C4'-P energy: -143.218 bonds (distance) P-C4' energy: -155.297 flat angles C4'-P-C4' energy: -124.237 flat angles P-C4'-P energy: -56.646 tors. eta vs tors. theta energy: -30.526 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: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3216.160700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.160700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.160700 (E_RNA) where: Base-Base interactions energy: -2252.830 where: short stacking energy: -963.146 Base-Backbone interact. energy: -2.753 local terms energy: -960.577758 where: bonds (distance) C4'-P energy: -182.319 bonds (distance) P-C4' energy: -186.599 flat angles C4'-P-C4' energy: -209.272 flat angles P-C4'-P energy: -140.316 tors. eta vs tors. theta energy: -242.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -3094.971295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.971295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.971295 (E_RNA) where: Base-Base interactions energy: -2194.426 where: short stacking energy: -900.088 Base-Backbone interact. energy: 1.239 local terms energy: -901.784321 where: bonds (distance) C4'-P energy: -169.530 bonds (distance) P-C4' energy: -175.161 flat angles C4'-P-C4' energy: -189.357 flat angles P-C4'-P energy: -130.711 tors. eta vs tors. theta energy: -237.026 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: 100 Temperature: 1.000000 Total energy: -3019.006776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.006776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.006776 (E_RNA) where: Base-Base interactions energy: -2119.520 where: short stacking energy: -927.042 Base-Backbone interact. energy: -2.299 local terms energy: -897.187472 where: bonds (distance) C4'-P energy: -178.162 bonds (distance) P-C4' energy: -173.240 flat angles C4'-P-C4' energy: -190.312 flat angles P-C4'-P energy: -119.011 tors. eta vs tors. theta energy: -236.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2792.013625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.013625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.013625 (E_RNA) where: Base-Base interactions energy: -1906.238 where: short stacking energy: -849.623 Base-Backbone interact. energy: 0.099 local terms energy: -885.874586 where: bonds (distance) C4'-P energy: -173.792 bonds (distance) P-C4' energy: -144.993 flat angles C4'-P-C4' energy: -201.049 flat angles P-C4'-P energy: -131.864 tors. eta vs tors. theta energy: -234.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2664.543095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.543095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.543095 (E_RNA) where: Base-Base interactions energy: -1811.492 where: short stacking energy: -773.016 Base-Backbone interact. energy: -2.492 local terms energy: -850.559441 where: bonds (distance) C4'-P energy: -172.892 bonds (distance) P-C4' energy: -181.676 flat angles C4'-P-C4' energy: -185.836 flat angles P-C4'-P energy: -111.172 tors. eta vs tors. theta energy: -198.983 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: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2519.747254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.747254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.747254 (E_RNA) where: Base-Base interactions energy: -1732.480 where: short stacking energy: -746.134 Base-Backbone interact. energy: -3.923 local terms energy: -783.344271 where: bonds (distance) C4'-P energy: -134.143 bonds (distance) P-C4' energy: -159.228 flat angles C4'-P-C4' energy: -192.572 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -189.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2241.491418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.491418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.491418 (E_RNA) where: Base-Base interactions energy: -1513.158 where: short stacking energy: -652.349 Base-Backbone interact. energy: -2.503 local terms energy: -725.829939 where: bonds (distance) C4'-P energy: -146.272 bonds (distance) P-C4' energy: -159.933 flat angles C4'-P-C4' energy: -163.532 flat angles P-C4'-P energy: -97.974 tors. eta vs tors. theta energy: -158.119 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: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -2102.827608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2102.827608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2102.827608 (E_RNA) where: Base-Base interactions energy: -1441.749 where: short stacking energy: -606.731 Base-Backbone interact. energy: -3.605 local terms energy: -657.473324 where: bonds (distance) C4'-P energy: -149.257 bonds (distance) P-C4' energy: -150.792 flat angles C4'-P-C4' energy: -149.812 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -117.924 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: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1498.949390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.949390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.949390 (E_RNA) where: Base-Base interactions energy: -940.543 where: short stacking energy: -445.890 Base-Backbone interact. energy: 2.121 local terms energy: -560.527069 where: bonds (distance) C4'-P energy: -140.748 bonds (distance) P-C4' energy: -137.241 flat angles C4'-P-C4' energy: -135.016 flat angles P-C4'-P energy: -82.400 tors. eta vs tors. theta energy: -65.121 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: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1243.795047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.795047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.795047 (E_RNA) where: Base-Base interactions energy: -735.765 where: short stacking energy: -402.996 Base-Backbone interact. energy: -0.095 local terms energy: -507.935344 where: bonds (distance) C4'-P energy: -127.694 bonds (distance) P-C4' energy: -154.561 flat angles C4'-P-C4' energy: -135.960 flat angles P-C4'-P energy: -57.980 tors. eta vs tors. theta energy: -31.740 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: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3206.732975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.732975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.732975 (E_RNA) where: Base-Base interactions energy: -2234.928 where: short stacking energy: -965.052 Base-Backbone interact. energy: -4.231 local terms energy: -967.573711 where: bonds (distance) C4'-P energy: -176.057 bonds (distance) P-C4' energy: -187.285 flat angles C4'-P-C4' energy: -213.179 flat angles P-C4'-P energy: -139.600 tors. eta vs tors. theta energy: -251.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -3158.288219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.288219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.288219 (E_RNA) where: Base-Base interactions energy: -2217.531 where: short stacking energy: -953.555 Base-Backbone interact. energy: -2.123 local terms energy: -938.633942 where: bonds (distance) C4'-P energy: -174.225 bonds (distance) P-C4' energy: -178.473 flat angles C4'-P-C4' energy: -207.454 flat angles P-C4'-P energy: -122.185 tors. eta vs tors. theta energy: -256.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2980.738709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.738709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.738709 (E_RNA) where: Base-Base interactions energy: -2111.411 where: short stacking energy: -870.681 Base-Backbone interact. energy: -4.915 local terms energy: -864.412604 where: bonds (distance) C4'-P energy: -165.633 bonds (distance) P-C4' energy: -154.053 flat angles C4'-P-C4' energy: -197.102 flat angles P-C4'-P energy: -137.111 tors. eta vs tors. theta energy: -210.513 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: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2811.671352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.671352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.671352 (E_RNA) where: Base-Base interactions energy: -1985.090 where: short stacking energy: -866.542 Base-Backbone interact. energy: -1.312 local terms energy: -825.270163 where: bonds (distance) C4'-P energy: -167.350 bonds (distance) P-C4' energy: -155.371 flat angles C4'-P-C4' energy: -183.070 flat angles P-C4'-P energy: -103.478 tors. eta vs tors. theta energy: -216.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2681.104264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.104264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.104264 (E_RNA) where: Base-Base interactions energy: -1847.656 where: short stacking energy: -787.093 Base-Backbone interact. energy: -5.915 local terms energy: -827.532799 where: bonds (distance) C4'-P energy: -166.463 bonds (distance) P-C4' energy: -174.641 flat angles C4'-P-C4' energy: -178.355 flat angles P-C4'-P energy: -114.370 tors. eta vs tors. theta energy: -193.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2550.845137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.845137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.845137 (E_RNA) where: Base-Base interactions energy: -1751.689 where: short stacking energy: -755.741 Base-Backbone interact. energy: -3.182 local terms energy: -795.974583 where: bonds (distance) C4'-P energy: -167.015 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -176.168 flat angles P-C4'-P energy: -121.010 tors. eta vs tors. theta energy: -184.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2266.292516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.292516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.292516 (E_RNA) where: Base-Base interactions energy: -1509.481 where: short stacking energy: -671.150 Base-Backbone interact. energy: -5.896 local terms energy: -750.915267 where: bonds (distance) C4'-P energy: -151.736 bonds (distance) P-C4' energy: -166.009 flat angles C4'-P-C4' energy: -171.175 flat angles P-C4'-P energy: -92.494 tors. eta vs tors. theta energy: -169.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -2100.353746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.353746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.353746 (E_RNA) where: Base-Base interactions energy: -1419.755 where: short stacking energy: -607.091 Base-Backbone interact. energy: 5.339 local terms energy: -685.938099 where: bonds (distance) C4'-P energy: -150.282 bonds (distance) P-C4' energy: -146.057 flat angles C4'-P-C4' energy: -172.883 flat angles P-C4'-P energy: -99.805 tors. eta vs tors. theta energy: -116.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1567.662518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.662518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.662518 (E_RNA) where: Base-Base interactions energy: -984.704 where: short stacking energy: -484.330 Base-Backbone interact. energy: -2.795 local terms energy: -580.163645 where: bonds (distance) C4'-P energy: -145.599 bonds (distance) P-C4' energy: -163.734 flat angles C4'-P-C4' energy: -140.125 flat angles P-C4'-P energy: -73.672 tors. eta vs tors. theta energy: -57.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1248.758047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.758047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.758047 (E_RNA) where: Base-Base interactions energy: -741.373 where: short stacking energy: -359.780 Base-Backbone interact. energy: 0.765 local terms energy: -508.150273 where: bonds (distance) C4'-P energy: -137.937 bonds (distance) P-C4' energy: -149.246 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -68.356 tors. eta vs tors. theta energy: -39.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3188.206078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.206078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.206078 (E_RNA) where: Base-Base interactions energy: -2247.743 where: short stacking energy: -959.065 Base-Backbone interact. energy: -1.184 local terms energy: -939.279306 where: bonds (distance) C4'-P energy: -174.634 bonds (distance) P-C4' energy: -179.359 flat angles C4'-P-C4' energy: -209.993 flat angles P-C4'-P energy: -125.249 tors. eta vs tors. theta energy: -250.044 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: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -3140.736843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.736843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.736843 (E_RNA) where: Base-Base interactions energy: -2205.239 where: short stacking energy: -934.542 Base-Backbone interact. energy: 0.044 local terms energy: -935.542491 where: bonds (distance) C4'-P energy: -174.892 bonds (distance) P-C4' energy: -182.143 flat angles C4'-P-C4' energy: -198.189 flat angles P-C4'-P energy: -127.339 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: 3, replica: 5 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -3013.647886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.647886 (E_RNA) where: Base-Base interactions energy: -2095.525 where: short stacking energy: -888.768 Base-Backbone interact. energy: 0.029 local terms energy: -918.152176 where: bonds (distance) C4'-P energy: -174.127 bonds (distance) P-C4' energy: -191.374 flat angles C4'-P-C4' energy: -197.385 flat angles P-C4'-P energy: -131.187 tors. eta vs tors. theta energy: -224.079 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: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2831.271738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.271738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.271738 (E_RNA) where: Base-Base interactions energy: -1945.726 where: short stacking energy: -876.876 Base-Backbone interact. energy: -3.994 local terms energy: -881.551867 where: bonds (distance) C4'-P energy: -160.672 bonds (distance) P-C4' energy: -155.801 flat angles C4'-P-C4' energy: -195.415 flat angles P-C4'-P energy: -138.436 tors. eta vs tors. theta energy: -231.227 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2762.930609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.930609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.930609 (E_RNA) where: Base-Base interactions energy: -1921.774 where: short stacking energy: -826.620 Base-Backbone interact. energy: -7.547 local terms energy: -833.609688 where: bonds (distance) C4'-P energy: -168.803 bonds (distance) P-C4' energy: -164.367 flat angles C4'-P-C4' energy: -187.722 flat angles P-C4'-P energy: -123.936 tors. eta vs tors. theta energy: -188.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2564.388408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.388408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.388408 (E_RNA) where: Base-Base interactions energy: -1748.451 where: short stacking energy: -756.153 Base-Backbone interact. energy: 0.040 local terms energy: -815.977964 where: bonds (distance) C4'-P energy: -148.204 bonds (distance) P-C4' energy: -176.660 flat angles C4'-P-C4' energy: -181.827 flat angles P-C4'-P energy: -130.108 tors. eta vs tors. theta energy: -179.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2313.291170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.291170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.291170 (E_RNA) where: Base-Base interactions energy: -1545.998 where: short stacking energy: -673.808 Base-Backbone interact. energy: -0.686 local terms energy: -766.607529 where: bonds (distance) C4'-P energy: -167.027 bonds (distance) P-C4' energy: -159.781 flat angles C4'-P-C4' energy: -169.263 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -161.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -2131.940518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2131.940518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2131.940518 (E_RNA) where: Base-Base interactions energy: -1440.314 where: short stacking energy: -644.222 Base-Backbone interact. energy: -1.714 local terms energy: -689.913006 where: bonds (distance) C4'-P energy: -159.110 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -133.996 flat angles P-C4'-P energy: -94.351 tors. eta vs tors. theta energy: -140.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1581.450488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.450488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.450488 (E_RNA) where: Base-Base interactions energy: -997.922 where: short stacking energy: -469.849 Base-Backbone interact. energy: -1.519 local terms energy: -582.010146 where: bonds (distance) C4'-P energy: -157.987 bonds (distance) P-C4' energy: -149.156 flat angles C4'-P-C4' energy: -122.555 flat angles P-C4'-P energy: -98.267 tors. eta vs tors. theta energy: -54.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1285.116355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.116355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.116355 (E_RNA) where: Base-Base interactions energy: -766.844 where: short stacking energy: -398.264 Base-Backbone interact. energy: 12.668 local terms energy: -530.941088 where: bonds (distance) C4'-P energy: -143.421 bonds (distance) P-C4' energy: -135.709 flat angles C4'-P-C4' energy: -144.056 flat angles P-C4'-P energy: -73.555 tors. eta vs tors. theta energy: -34.199 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: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3199.341009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.341009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.341009 (E_RNA) where: Base-Base interactions energy: -2252.829 where: short stacking energy: -954.885 Base-Backbone interact. energy: -3.447 local terms energy: -943.064331 where: bonds (distance) C4'-P energy: -164.907 bonds (distance) P-C4' energy: -191.651 flat angles C4'-P-C4' energy: -207.794 flat angles P-C4'-P energy: -126.259 tors. eta vs tors. theta energy: -252.453 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: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -3144.241408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.241408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.241408 (E_RNA) where: Base-Base interactions energy: -2189.745 where: short stacking energy: -916.284 Base-Backbone interact. energy: -0.013 local terms energy: -954.484014 where: bonds (distance) C4'-P energy: -180.845 bonds (distance) P-C4' energy: -188.854 flat angles C4'-P-C4' energy: -197.524 flat angles P-C4'-P energy: -137.516 tors. eta vs tors. theta energy: -249.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -3014.096601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3014.096601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3014.096601 (E_RNA) where: Base-Base interactions energy: -2105.108 where: short stacking energy: -869.101 Base-Backbone interact. energy: -3.012 local terms energy: -905.976513 where: bonds (distance) C4'-P energy: -178.843 bonds (distance) P-C4' energy: -181.481 flat angles C4'-P-C4' energy: -192.434 flat angles P-C4'-P energy: -137.032 tors. eta vs tors. theta energy: -216.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2856.543917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.543917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.543917 (E_RNA) where: Base-Base interactions energy: -1976.812 where: short stacking energy: -830.055 Base-Backbone interact. energy: -2.899 local terms energy: -876.833597 where: bonds (distance) C4'-P energy: -166.412 bonds (distance) P-C4' energy: -181.641 flat angles C4'-P-C4' energy: -189.705 flat angles P-C4'-P energy: -133.144 tors. eta vs tors. theta energy: -205.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2757.964372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.964372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.964372 (E_RNA) where: Base-Base interactions energy: -1930.755 where: short stacking energy: -851.946 Base-Backbone interact. energy: -4.513 local terms energy: -822.696395 where: bonds (distance) C4'-P energy: -154.161 bonds (distance) P-C4' energy: -144.380 flat angles C4'-P-C4' energy: -192.547 flat angles P-C4'-P energy: -112.017 tors. eta vs tors. theta energy: -219.592 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: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2542.417366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.417366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.417366 (E_RNA) where: Base-Base interactions energy: -1767.037 where: short stacking energy: -754.007 Base-Backbone interact. energy: -1.262 local terms energy: -774.119114 where: bonds (distance) C4'-P energy: -135.140 bonds (distance) P-C4' energy: -144.431 flat angles C4'-P-C4' energy: -189.479 flat angles P-C4'-P energy: -120.314 tors. eta vs tors. theta energy: -184.756 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: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2338.115664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.115664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.115664 (E_RNA) where: Base-Base interactions energy: -1570.890 where: short stacking energy: -679.984 Base-Backbone interact. energy: 0.007 local terms energy: -767.232735 where: bonds (distance) C4'-P energy: -141.823 bonds (distance) P-C4' energy: -165.101 flat angles C4'-P-C4' energy: -169.793 flat angles P-C4'-P energy: -123.567 tors. eta vs tors. theta energy: -166.948 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: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -2136.392762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.392762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.392762 (E_RNA) where: Base-Base interactions energy: -1412.950 where: short stacking energy: -602.162 Base-Backbone interact. energy: 10.074 local terms energy: -733.516661 where: bonds (distance) C4'-P energy: -176.333 bonds (distance) P-C4' energy: -166.720 flat angles C4'-P-C4' energy: -165.121 flat angles P-C4'-P energy: -106.808 tors. eta vs tors. theta energy: -118.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1535.991734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.991734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.991734 (E_RNA) where: Base-Base interactions energy: -969.492 where: short stacking energy: -473.687 Base-Backbone interact. energy: 7.001 local terms energy: -573.500670 where: bonds (distance) C4'-P energy: -138.954 bonds (distance) P-C4' energy: -143.928 flat angles C4'-P-C4' energy: -142.184 flat angles P-C4'-P energy: -79.082 tors. eta vs tors. theta energy: -69.353 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -1275.792509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.792509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.792509 (E_RNA) where: Base-Base interactions energy: -776.388 where: short stacking energy: -356.873 Base-Backbone interact. energy: 8.047 local terms energy: -507.451923 where: bonds (distance) C4'-P energy: -138.400 bonds (distance) P-C4' energy: -144.358 flat angles C4'-P-C4' energy: -120.645 flat angles P-C4'-P energy: -89.768 tors. eta vs tors. theta energy: -14.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3224.960233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.960233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.960233 (E_RNA) where: Base-Base interactions energy: -2262.449 where: short stacking energy: -1028.764 Base-Backbone interact. energy: -2.449 local terms energy: -960.062315 where: bonds (distance) C4'-P energy: -188.502 bonds (distance) P-C4' energy: -175.571 flat angles C4'-P-C4' energy: -204.000 flat angles P-C4'-P energy: -131.230 tors. eta vs tors. theta energy: -260.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -3169.384583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.384583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.384583 (E_RNA) where: Base-Base interactions energy: -2263.584 where: short stacking energy: -942.603 Base-Backbone interact. energy: -2.988 local terms energy: -902.811916 where: bonds (distance) C4'-P energy: -162.853 bonds (distance) P-C4' energy: -191.572 flat angles C4'-P-C4' energy: -198.018 flat angles P-C4'-P energy: -128.490 tors. eta vs tors. theta energy: -221.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -3039.958543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.958543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.958543 (E_RNA) where: Base-Base interactions energy: -2165.366 where: short stacking energy: -899.756 Base-Backbone interact. energy: -1.474 local terms energy: -873.118347 where: bonds (distance) C4'-P energy: -146.796 bonds (distance) P-C4' energy: -167.588 flat angles C4'-P-C4' energy: -203.812 flat angles P-C4'-P energy: -128.543 tors. eta vs tors. theta energy: -226.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2844.494891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.494891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.494891 (E_RNA) where: Base-Base interactions energy: -2055.567 where: short stacking energy: -862.738 Base-Backbone interact. energy: -1.918 local terms energy: -787.010068 where: bonds (distance) C4'-P energy: -149.465 bonds (distance) P-C4' energy: -157.090 flat angles C4'-P-C4' energy: -178.232 flat angles P-C4'-P energy: -105.243 tors. eta vs tors. theta energy: -196.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2708.752668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.752668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.752668 (E_RNA) where: Base-Base interactions energy: -1882.583 where: short stacking energy: -829.422 Base-Backbone interact. energy: 0.505 local terms energy: -826.674753 where: bonds (distance) C4'-P energy: -137.276 bonds (distance) P-C4' energy: -169.806 flat angles C4'-P-C4' energy: -180.098 flat angles P-C4'-P energy: -123.161 tors. eta vs tors. theta energy: -216.334 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: 104 Temperature: 1.150000 Total energy: -2599.993325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.993325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.993325 (E_RNA) where: Base-Base interactions energy: -1810.660 where: short stacking energy: -750.347 Base-Backbone interact. energy: -3.460 local terms energy: -785.873627 where: bonds (distance) C4'-P energy: -163.173 bonds (distance) P-C4' energy: -156.880 flat angles C4'-P-C4' energy: -177.427 flat angles P-C4'-P energy: -104.690 tors. eta vs tors. theta energy: -183.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2265.173230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.173230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.173230 (E_RNA) where: Base-Base interactions energy: -1524.032 where: short stacking energy: -676.346 Base-Backbone interact. energy: -2.573 local terms energy: -738.568794 where: bonds (distance) C4'-P energy: -159.153 bonds (distance) P-C4' energy: -160.013 flat angles C4'-P-C4' energy: -182.487 flat angles P-C4'-P energy: -91.132 tors. eta vs tors. theta energy: -145.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -2125.013388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.013388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.013388 (E_RNA) where: Base-Base interactions energy: -1447.424 where: short stacking energy: -614.392 Base-Backbone interact. energy: -4.021 local terms energy: -673.567841 where: bonds (distance) C4'-P energy: -115.650 bonds (distance) P-C4' energy: -155.121 flat angles C4'-P-C4' energy: -165.559 flat angles P-C4'-P energy: -109.140 tors. eta vs tors. theta energy: -128.098 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: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1581.010689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.010689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.010689 (E_RNA) where: Base-Base interactions energy: -1004.923 where: short stacking energy: -463.931 Base-Backbone interact. energy: -1.773 local terms energy: -574.314295 where: bonds (distance) C4'-P energy: -146.393 bonds (distance) P-C4' energy: -140.596 flat angles C4'-P-C4' energy: -149.669 flat angles P-C4'-P energy: -71.373 tors. eta vs tors. theta energy: -66.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -1342.533957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.533957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.533957 (E_RNA) where: Base-Base interactions energy: -814.554 where: short stacking energy: -378.716 Base-Backbone interact. energy: -0.474 local terms energy: -527.505842 where: bonds (distance) C4'-P energy: -152.870 bonds (distance) P-C4' energy: -144.049 flat angles C4'-P-C4' energy: -149.833 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -25.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3252.543332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.543332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.543332 (E_RNA) where: Base-Base interactions energy: -2268.689 where: short stacking energy: -989.287 Base-Backbone interact. energy: -0.502 local terms energy: -983.352774 where: bonds (distance) C4'-P energy: -190.560 bonds (distance) P-C4' energy: -182.273 flat angles C4'-P-C4' energy: -214.918 flat angles P-C4'-P energy: -136.519 tors. eta vs tors. theta energy: -259.082 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: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -3186.880137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.880137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.880137 (E_RNA) where: Base-Base interactions energy: -2260.742 where: short stacking energy: -964.457 Base-Backbone interact. energy: -5.473 local terms energy: -920.664665 where: bonds (distance) C4'-P energy: -157.491 bonds (distance) P-C4' energy: -185.665 flat angles C4'-P-C4' energy: -204.590 flat angles P-C4'-P energy: -127.748 tors. eta vs tors. theta energy: -245.171 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: 105 Temperature: 1.000000 Total energy: -2997.501103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.501103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.501103 (E_RNA) where: Base-Base interactions energy: -2103.855 where: short stacking energy: -876.472 Base-Backbone interact. energy: 0.148 local terms energy: -893.794138 where: bonds (distance) C4'-P energy: -161.872 bonds (distance) P-C4' energy: -173.580 flat angles C4'-P-C4' energy: -208.793 flat angles P-C4'-P energy: -120.837 tors. eta vs tors. theta energy: -228.712 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: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2892.203603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.203603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.203603 (E_RNA) where: Base-Base interactions energy: -2045.567 where: short stacking energy: -866.072 Base-Backbone interact. energy: 1.204 local terms energy: -847.840339 where: bonds (distance) C4'-P energy: -156.927 bonds (distance) P-C4' energy: -160.773 flat angles C4'-P-C4' energy: -188.563 flat angles P-C4'-P energy: -126.786 tors. eta vs tors. theta energy: -214.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2701.875712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.875712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.875712 (E_RNA) where: Base-Base interactions energy: -1880.206 where: short stacking energy: -807.527 Base-Backbone interact. energy: -2.080 local terms energy: -819.589728 where: bonds (distance) C4'-P energy: -152.321 bonds (distance) P-C4' energy: -169.630 flat angles C4'-P-C4' energy: -169.804 flat angles P-C4'-P energy: -129.954 tors. eta vs tors. theta energy: -197.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2530.703361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.703361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.703361 (E_RNA) where: Base-Base interactions energy: -1765.180 where: short stacking energy: -746.718 Base-Backbone interact. energy: -5.530 local terms energy: -759.993900 where: bonds (distance) C4'-P energy: -129.202 bonds (distance) P-C4' energy: -177.258 flat angles C4'-P-C4' energy: -159.086 flat angles P-C4'-P energy: -114.685 tors. eta vs tors. theta energy: -179.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -2274.887396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.887396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.887396 (E_RNA) where: Base-Base interactions energy: -1539.917 where: short stacking energy: -666.957 Base-Backbone interact. energy: 0.592 local terms energy: -735.561881 where: bonds (distance) C4'-P energy: -149.026 bonds (distance) P-C4' energy: -161.060 flat angles C4'-P-C4' energy: -146.273 flat angles P-C4'-P energy: -124.235 tors. eta vs tors. theta energy: -154.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -2149.178170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.178170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.178170 (E_RNA) where: Base-Base interactions energy: -1485.654 where: short stacking energy: -658.492 Base-Backbone interact. energy: 1.660 local terms energy: -665.183693 where: bonds (distance) C4'-P energy: -150.359 bonds (distance) P-C4' energy: -137.955 flat angles C4'-P-C4' energy: -159.601 flat angles P-C4'-P energy: -101.919 tors. eta vs tors. theta energy: -115.349 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: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1576.652565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.652565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.652565 (E_RNA) where: Base-Base interactions energy: -976.694 where: short stacking energy: -471.939 Base-Backbone interact. energy: 4.245 local terms energy: -604.203994 where: bonds (distance) C4'-P energy: -145.251 bonds (distance) P-C4' energy: -149.807 flat angles C4'-P-C4' energy: -147.936 flat angles P-C4'-P energy: -88.222 tors. eta vs tors. theta energy: -72.988 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: 9 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -1318.450726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.450726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.450726 (E_RNA) where: Base-Base interactions energy: -751.903 where: short stacking energy: -392.145 Base-Backbone interact. energy: 2.740 local terms energy: -569.287374 where: bonds (distance) C4'-P energy: -142.878 bonds (distance) P-C4' energy: -145.619 flat angles C4'-P-C4' energy: -151.593 flat angles P-C4'-P energy: -83.559 tors. eta vs tors. theta energy: -45.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3237.950704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.950704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.950704 (E_RNA) where: Base-Base interactions energy: -2278.984 where: short stacking energy: -987.313 Base-Backbone interact. energy: 8.350 local terms energy: -967.316517 where: bonds (distance) C4'-P energy: -171.874 bonds (distance) P-C4' energy: -184.753 flat angles C4'-P-C4' energy: -227.357 flat angles P-C4'-P energy: -131.236 tors. eta vs tors. theta energy: -252.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -3165.249145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.249145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.249145 (E_RNA) where: Base-Base interactions energy: -2260.323 where: short stacking energy: -943.911 Base-Backbone interact. energy: -0.305 local terms energy: -904.620619 where: bonds (distance) C4'-P energy: -161.434 bonds (distance) P-C4' energy: -174.691 flat angles C4'-P-C4' energy: -203.845 flat angles P-C4'-P energy: -127.169 tors. eta vs tors. theta energy: -237.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2982.217180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.217180 (E_RNA) where: Base-Base interactions energy: -2080.326 where: short stacking energy: -893.244 Base-Backbone interact. energy: -3.947 local terms energy: -897.944188 where: bonds (distance) C4'-P energy: -171.806 bonds (distance) P-C4' energy: -177.543 flat angles C4'-P-C4' energy: -194.613 flat angles P-C4'-P energy: -133.828 tors. eta vs tors. theta energy: -220.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2842.954781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.954781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.954781 (E_RNA) where: Base-Base interactions energy: -2003.638 where: short stacking energy: -814.229 Base-Backbone interact. energy: -6.516 local terms energy: -832.800781 where: bonds (distance) C4'-P energy: -170.503 bonds (distance) P-C4' energy: -161.861 flat angles C4'-P-C4' energy: -186.843 flat angles P-C4'-P energy: -114.124 tors. eta vs tors. theta energy: -199.470 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: 1 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2715.752496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.752496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.752496 (E_RNA) where: Base-Base interactions energy: -1889.045 where: short stacking energy: -817.119 Base-Backbone interact. energy: 1.385 local terms energy: -828.092158 where: bonds (distance) C4'-P energy: -158.969 bonds (distance) P-C4' energy: -166.935 flat angles C4'-P-C4' energy: -187.882 flat angles P-C4'-P energy: -109.433 tors. eta vs tors. theta energy: -204.874 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: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2587.239265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.239265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.239265 (E_RNA) where: Base-Base interactions energy: -1795.883 where: short stacking energy: -797.565 Base-Backbone interact. energy: -0.400 local terms energy: -790.956572 where: bonds (distance) C4'-P energy: -142.954 bonds (distance) P-C4' energy: -188.130 flat angles C4'-P-C4' energy: -165.562 flat angles P-C4'-P energy: -109.638 tors. eta vs tors. theta energy: -184.672 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: 10 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -2184.049170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.049170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.049170 (E_RNA) where: Base-Base interactions energy: -1494.966 where: short stacking energy: -651.004 Base-Backbone interact. energy: 1.664 local terms energy: -690.746421 where: bonds (distance) C4'-P energy: -154.907 bonds (distance) P-C4' energy: -158.993 flat angles C4'-P-C4' energy: -147.726 flat angles P-C4'-P energy: -100.417 tors. eta vs tors. theta energy: -128.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -2179.949288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.949288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.949288 (E_RNA) where: Base-Base interactions energy: -1455.458 where: short stacking energy: -616.947 Base-Backbone interact. energy: -3.402 local terms energy: -721.089383 where: bonds (distance) C4'-P energy: -146.043 bonds (distance) P-C4' energy: -164.828 flat angles C4'-P-C4' energy: -161.870 flat angles P-C4'-P energy: -92.384 tors. eta vs tors. theta energy: -155.964 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: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1574.289269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.289269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.289269 (E_RNA) where: Base-Base interactions energy: -982.324 where: short stacking energy: -483.888 Base-Backbone interact. energy: -1.324 local terms energy: -590.640788 where: bonds (distance) C4'-P energy: -121.485 bonds (distance) P-C4' energy: -155.130 flat angles C4'-P-C4' energy: -152.484 flat angles P-C4'-P energy: -76.809 tors. eta vs tors. theta energy: -84.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -1356.241831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.241831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.241831 (E_RNA) where: Base-Base interactions energy: -828.247 where: short stacking energy: -413.322 Base-Backbone interact. energy: -1.395 local terms energy: -526.600157 where: bonds (distance) C4'-P energy: -136.653 bonds (distance) P-C4' energy: -116.670 flat angles C4'-P-C4' energy: -149.206 flat angles P-C4'-P energy: -88.921 tors. eta vs tors. theta energy: -35.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3232.674426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.674426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.674426 (E_RNA) where: Base-Base interactions energy: -2251.770 where: short stacking energy: -999.921 Base-Backbone interact. energy: -5.755 local terms energy: -975.149637 where: bonds (distance) C4'-P energy: -184.335 bonds (distance) P-C4' energy: -185.530 flat angles C4'-P-C4' energy: -207.608 flat angles P-C4'-P energy: -143.935 tors. eta vs tors. theta energy: -253.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -3177.256581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.256581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.256581 (E_RNA) where: Base-Base interactions energy: -2274.992 where: short stacking energy: -982.347 Base-Backbone interact. energy: 1.074 local terms energy: -903.338998 where: bonds (distance) C4'-P energy: -159.289 bonds (distance) P-C4' energy: -156.646 flat angles C4'-P-C4' energy: -218.050 flat angles P-C4'-P energy: -126.749 tors. eta vs tors. theta energy: -242.605 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: 5 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -3019.070728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.070728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.070728 (E_RNA) where: Base-Base interactions energy: -2133.718 where: short stacking energy: -872.209 Base-Backbone interact. energy: -5.205 local terms energy: -880.147740 where: bonds (distance) C4'-P energy: -175.164 bonds (distance) P-C4' energy: -161.286 flat angles C4'-P-C4' energy: -195.001 flat angles P-C4'-P energy: -127.037 tors. eta vs tors. theta energy: -221.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2823.295886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.295886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.295886 (E_RNA) where: Base-Base interactions energy: -1983.934 where: short stacking energy: -865.973 Base-Backbone interact. energy: 4.296 local terms energy: -843.658147 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -152.501 flat angles C4'-P-C4' energy: -210.068 flat angles P-C4'-P energy: -119.164 tors. eta vs tors. theta energy: -210.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2757.064962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.064962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.064962 (E_RNA) where: Base-Base interactions energy: -1894.522 where: short stacking energy: -840.044 Base-Backbone interact. energy: 1.116 local terms energy: -863.659560 where: bonds (distance) C4'-P energy: -160.562 bonds (distance) P-C4' energy: -167.598 flat angles C4'-P-C4' energy: -176.550 flat angles P-C4'-P energy: -124.209 tors. eta vs tors. theta energy: -234.740 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: 6, replica: 2 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2515.067254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.067254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.067254 (E_RNA) where: Base-Base interactions energy: -1706.682 where: short stacking energy: -780.884 Base-Backbone interact. energy: -3.869 local terms energy: -804.516584 where: bonds (distance) C4'-P energy: -166.129 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -175.851 flat angles P-C4'-P energy: -118.015 tors. eta vs tors. theta energy: -186.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2218.778059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.778059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.778059 (E_RNA) where: Base-Base interactions energy: -1503.613 where: short stacking energy: -695.313 Base-Backbone interact. energy: -2.146 local terms energy: -713.018991 where: bonds (distance) C4'-P energy: -127.522 bonds (distance) P-C4' energy: -174.702 flat angles C4'-P-C4' energy: -153.856 flat angles P-C4'-P energy: -107.033 tors. eta vs tors. theta energy: -149.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -2112.645736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.645736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.645736 (E_RNA) where: Base-Base interactions energy: -1428.343 where: short stacking energy: -619.390 Base-Backbone interact. energy: 2.665 local terms energy: -686.967837 where: bonds (distance) C4'-P energy: -166.450 bonds (distance) P-C4' energy: -165.749 flat angles C4'-P-C4' energy: -151.327 flat angles P-C4'-P energy: -76.106 tors. eta vs tors. theta energy: -127.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1600.281862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.281862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.281862 (E_RNA) where: Base-Base interactions energy: -1022.458 where: short stacking energy: -486.649 Base-Backbone interact. energy: 0.940 local terms energy: -578.764521 where: bonds (distance) C4'-P energy: -114.700 bonds (distance) P-C4' energy: -142.214 flat angles C4'-P-C4' energy: -155.008 flat angles P-C4'-P energy: -97.078 tors. eta vs tors. theta energy: -69.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -1364.027603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.027603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.027603 (E_RNA) where: Base-Base interactions energy: -835.564 where: short stacking energy: -424.250 Base-Backbone interact. energy: -3.109 local terms energy: -525.355240 where: bonds (distance) C4'-P energy: -127.200 bonds (distance) P-C4' energy: -158.665 flat angles C4'-P-C4' energy: -118.395 flat angles P-C4'-P energy: -77.131 tors. eta vs tors. theta energy: -43.965 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: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3234.021671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.021671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.021671 (E_RNA) where: Base-Base interactions energy: -2267.787 where: short stacking energy: -995.536 Base-Backbone interact. energy: 1.460 local terms energy: -967.694901 where: bonds (distance) C4'-P energy: -181.150 bonds (distance) P-C4' energy: -199.095 flat angles C4'-P-C4' energy: -204.264 flat angles P-C4'-P energy: -129.017 tors. eta vs tors. theta energy: -254.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -3142.087920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.087920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.087920 (E_RNA) where: Base-Base interactions energy: -2208.836 where: short stacking energy: -922.691 Base-Backbone interact. energy: -2.947 local terms energy: -930.305373 where: bonds (distance) C4'-P energy: -184.596 bonds (distance) P-C4' energy: -179.498 flat angles C4'-P-C4' energy: -202.079 flat angles P-C4'-P energy: -122.113 tors. eta vs tors. theta energy: -242.020 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: 108 Temperature: 1.000000 Total energy: -3002.500626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.500626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.500626 (E_RNA) where: Base-Base interactions energy: -2110.775 where: short stacking energy: -883.396 Base-Backbone interact. energy: 0.489 local terms energy: -892.214036 where: bonds (distance) C4'-P energy: -183.436 bonds (distance) P-C4' energy: -187.707 flat angles C4'-P-C4' energy: -190.765 flat angles P-C4'-P energy: -122.258 tors. eta vs tors. theta energy: -208.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2824.549583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.549583 (E_RNA) where: Base-Base interactions energy: -1972.730 where: short stacking energy: -815.758 Base-Backbone interact. energy: -3.448 local terms energy: -848.371936 where: bonds (distance) C4'-P energy: -155.046 bonds (distance) P-C4' energy: -177.259 flat angles C4'-P-C4' energy: -197.410 flat angles P-C4'-P energy: -117.432 tors. eta vs tors. theta energy: -201.226 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: 1 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2738.736231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.736231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.736231 (E_RNA) where: Base-Base interactions energy: -1882.299 where: short stacking energy: -816.497 Base-Backbone interact. energy: 0.425 local terms energy: -856.862097 where: bonds (distance) C4'-P energy: -166.864 bonds (distance) P-C4' energy: -164.794 flat angles C4'-P-C4' energy: -178.813 flat angles P-C4'-P energy: -133.172 tors. eta vs tors. theta energy: -213.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2486.688120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.688120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.688120 (E_RNA) where: Base-Base interactions energy: -1696.716 where: short stacking energy: -754.526 Base-Backbone interact. energy: -5.348 local terms energy: -784.624378 where: bonds (distance) C4'-P energy: -150.718 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -177.036 flat angles P-C4'-P energy: -124.552 tors. eta vs tors. theta energy: -181.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -2216.225163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.225163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.225163 (E_RNA) where: Base-Base interactions energy: -1531.971 where: short stacking energy: -684.474 Base-Backbone interact. energy: -0.018 local terms energy: -684.235419 where: bonds (distance) C4'-P energy: -130.462 bonds (distance) P-C4' energy: -135.103 flat angles C4'-P-C4' energy: -162.223 flat angles P-C4'-P energy: -111.344 tors. eta vs tors. theta energy: -145.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -2137.727447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.727447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.727447 (E_RNA) where: Base-Base interactions energy: -1430.727 where: short stacking energy: -634.348 Base-Backbone interact. energy: 2.242 local terms energy: -709.242256 where: bonds (distance) C4'-P energy: -130.361 bonds (distance) P-C4' energy: -157.624 flat angles C4'-P-C4' energy: -173.792 flat angles P-C4'-P energy: -95.322 tors. eta vs tors. theta energy: -152.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1600.715571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.715571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.715571 (E_RNA) where: Base-Base interactions energy: -1001.939 where: short stacking energy: -491.978 Base-Backbone interact. energy: 0.686 local terms energy: -599.462497 where: bonds (distance) C4'-P energy: -109.062 bonds (distance) P-C4' energy: -170.651 flat angles C4'-P-C4' energy: -162.808 flat angles P-C4'-P energy: -74.232 tors. eta vs tors. theta energy: -82.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -1293.150518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.150518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.150518 (E_RNA) where: Base-Base interactions energy: -811.021 where: short stacking energy: -397.405 Base-Backbone interact. energy: -2.369 local terms energy: -479.760274 where: bonds (distance) C4'-P energy: -139.679 bonds (distance) P-C4' energy: -126.155 flat angles C4'-P-C4' energy: -124.991 flat angles P-C4'-P energy: -71.575 tors. eta vs tors. theta energy: -17.360 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: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3226.843378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.843378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.843378 (E_RNA) where: Base-Base interactions energy: -2264.634 where: short stacking energy: -972.509 Base-Backbone interact. energy: 5.693 local terms energy: -967.902886 where: bonds (distance) C4'-P energy: -176.901 bonds (distance) P-C4' energy: -199.646 flat angles C4'-P-C4' energy: -204.655 flat angles P-C4'-P energy: -128.836 tors. eta vs tors. theta energy: -257.865 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: 2, replica: 4 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -3144.507496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.507496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.507496 (E_RNA) where: Base-Base interactions energy: -2212.705 where: short stacking energy: -931.466 Base-Backbone interact. energy: 1.510 local terms energy: -933.312566 where: bonds (distance) C4'-P energy: -183.535 bonds (distance) P-C4' energy: -190.028 flat angles C4'-P-C4' energy: -198.410 flat angles P-C4'-P energy: -122.607 tors. eta vs tors. theta energy: -238.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2984.960017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.960017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.960017 (E_RNA) where: Base-Base interactions energy: -2072.333 where: short stacking energy: -866.386 Base-Backbone interact. energy: -1.318 local terms energy: -911.308199 where: bonds (distance) C4'-P energy: -186.924 bonds (distance) P-C4' energy: -176.683 flat angles C4'-P-C4' energy: -195.034 flat angles P-C4'-P energy: -124.759 tors. eta vs tors. theta energy: -227.909 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: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2843.111094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.111094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.111094 (E_RNA) where: Base-Base interactions energy: -1986.872 where: short stacking energy: -841.172 Base-Backbone interact. energy: -4.852 local terms energy: -851.387910 where: bonds (distance) C4'-P energy: -174.162 bonds (distance) P-C4' energy: -178.162 flat angles C4'-P-C4' energy: -188.165 flat angles P-C4'-P energy: -105.159 tors. eta vs tors. theta energy: -205.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2776.346953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.346953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.346953 (E_RNA) where: Base-Base interactions energy: -1941.162 where: short stacking energy: -837.643 Base-Backbone interact. energy: -3.956 local terms energy: -831.229111 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -143.193 flat angles C4'-P-C4' energy: -186.192 flat angles P-C4'-P energy: -127.232 tors. eta vs tors. theta energy: -219.003 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: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2528.599119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.599119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.599119 (E_RNA) where: Base-Base interactions energy: -1751.605 where: short stacking energy: -773.090 Base-Backbone interact. energy: 5.492 local terms energy: -782.485915 where: bonds (distance) C4'-P energy: -144.736 bonds (distance) P-C4' energy: -153.337 flat angles C4'-P-C4' energy: -183.588 flat angles P-C4'-P energy: -122.946 tors. eta vs tors. theta energy: -177.879 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: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -2196.331865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.331865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.331865 (E_RNA) where: Base-Base interactions energy: -1464.702 where: short stacking energy: -632.370 Base-Backbone interact. energy: -4.974 local terms energy: -726.655247 where: bonds (distance) C4'-P energy: -157.393 bonds (distance) P-C4' energy: -175.709 flat angles C4'-P-C4' energy: -150.141 flat angles P-C4'-P energy: -113.403 tors. eta vs tors. theta energy: -130.010 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: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -2113.223186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.223186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.223186 (E_RNA) where: Base-Base interactions energy: -1450.399 where: short stacking energy: -632.694 Base-Backbone interact. energy: -4.071 local terms energy: -658.752726 where: bonds (distance) C4'-P energy: -128.221 bonds (distance) P-C4' energy: -147.112 flat angles C4'-P-C4' energy: -150.626 flat angles P-C4'-P energy: -94.352 tors. eta vs tors. theta energy: -138.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1518.533345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.533345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.533345 (E_RNA) where: Base-Base interactions energy: -946.133 where: short stacking energy: -452.590 Base-Backbone interact. energy: 1.943 local terms energy: -574.343741 where: bonds (distance) C4'-P energy: -144.580 bonds (distance) P-C4' energy: -152.963 flat angles C4'-P-C4' energy: -138.171 flat angles P-C4'-P energy: -78.214 tors. eta vs tors. theta energy: -60.415 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: 10, replica: 9 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -1340.365156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.365156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.365156 (E_RNA) where: Base-Base interactions energy: -821.393 where: short stacking energy: -414.798 Base-Backbone interact. energy: 0.833 local terms energy: -519.804965 where: bonds (distance) C4'-P energy: -125.040 bonds (distance) P-C4' energy: -145.096 flat angles C4'-P-C4' energy: -127.790 flat angles P-C4'-P energy: -76.139 tors. eta vs tors. theta energy: -45.740 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: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3233.709440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.709440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.709440 (E_RNA) where: Base-Base interactions energy: -2259.824 where: short stacking energy: -996.853 Base-Backbone interact. energy: 1.129 local terms energy: -975.014767 where: bonds (distance) C4'-P energy: -171.427 bonds (distance) P-C4' energy: -173.329 flat angles C4'-P-C4' energy: -212.942 flat angles P-C4'-P energy: -165.536 tors. eta vs tors. theta energy: -251.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -3144.577434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.577434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.577434 (E_RNA) where: Base-Base interactions energy: -2171.196 where: short stacking energy: -943.851 Base-Backbone interact. energy: -3.583 local terms energy: -969.798764 where: bonds (distance) C4'-P energy: -174.719 bonds (distance) P-C4' energy: -178.749 flat angles C4'-P-C4' energy: -207.666 flat angles P-C4'-P energy: -150.428 tors. eta vs tors. theta energy: -258.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2976.054044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.054044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.054044 (E_RNA) where: Base-Base interactions energy: -2089.819 where: short stacking energy: -897.229 Base-Backbone interact. energy: 0.099 local terms energy: -886.333616 where: bonds (distance) C4'-P energy: -166.497 bonds (distance) P-C4' energy: -161.605 flat angles C4'-P-C4' energy: -198.128 flat angles P-C4'-P energy: -132.760 tors. eta vs tors. theta energy: -227.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2818.965633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.965633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.965633 (E_RNA) where: Base-Base interactions energy: -1954.444 where: short stacking energy: -796.126 Base-Backbone interact. energy: -5.308 local terms energy: -859.214125 where: bonds (distance) C4'-P energy: -146.158 bonds (distance) P-C4' energy: -189.458 flat angles C4'-P-C4' energy: -190.984 flat angles P-C4'-P energy: -127.191 tors. eta vs tors. theta energy: -205.424 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: 1 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2814.213868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.213868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.213868 (E_RNA) where: Base-Base interactions energy: -1956.068 where: short stacking energy: -851.427 Base-Backbone interact. energy: -5.817 local terms energy: -852.328402 where: bonds (distance) C4'-P energy: -164.746 bonds (distance) P-C4' energy: -173.915 flat angles C4'-P-C4' energy: -174.718 flat angles P-C4'-P energy: -119.745 tors. eta vs tors. theta energy: -219.206 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: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2451.818720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.818720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.818720 (E_RNA) where: Base-Base interactions energy: -1672.353 where: short stacking energy: -750.159 Base-Backbone interact. energy: -4.232 local terms energy: -775.233288 where: bonds (distance) C4'-P energy: -152.768 bonds (distance) P-C4' energy: -164.994 flat angles C4'-P-C4' energy: -176.566 flat angles P-C4'-P energy: -83.204 tors. eta vs tors. theta energy: -197.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -2174.358357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.358357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.358357 (E_RNA) where: Base-Base interactions energy: -1481.356 where: short stacking energy: -679.036 Base-Backbone interact. energy: 4.940 local terms energy: -697.942535 where: bonds (distance) C4'-P energy: -131.445 bonds (distance) P-C4' energy: -155.068 flat angles C4'-P-C4' energy: -148.532 flat angles P-C4'-P energy: -115.795 tors. eta vs tors. theta energy: -147.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -2090.301828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.301828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.301828 (E_RNA) where: Base-Base interactions energy: -1417.157 where: short stacking energy: -615.726 Base-Backbone interact. energy: 0.584 local terms energy: -673.728729 where: bonds (distance) C4'-P energy: -146.443 bonds (distance) P-C4' energy: -151.010 flat angles C4'-P-C4' energy: -164.083 flat angles P-C4'-P energy: -85.950 tors. eta vs tors. theta energy: -126.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1504.581172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.581172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.581172 (E_RNA) where: Base-Base interactions energy: -905.200 where: short stacking energy: -433.459 Base-Backbone interact. energy: 0.676 local terms energy: -600.057007 where: bonds (distance) C4'-P energy: -145.548 bonds (distance) P-C4' energy: -149.616 flat angles C4'-P-C4' energy: -161.978 flat angles P-C4'-P energy: -84.392 tors. eta vs tors. theta energy: -58.523 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: 10, replica: 9 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -1378.281922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.281922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.281922 (E_RNA) where: Base-Base interactions energy: -877.957 where: short stacking energy: -418.649 Base-Backbone interact. energy: -4.367 local terms energy: -495.957287 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -142.241 flat angles C4'-P-C4' energy: -133.933 flat angles P-C4'-P energy: -83.923 tors. eta vs tors. theta energy: -42.520 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: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3258.134243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.134243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.134243 (E_RNA) where: Base-Base interactions energy: -2275.064 where: short stacking energy: -999.190 Base-Backbone interact. energy: 1.677 local terms energy: -984.746764 where: bonds (distance) C4'-P energy: -194.402 bonds (distance) P-C4' energy: -185.713 flat angles C4'-P-C4' energy: -213.040 flat angles P-C4'-P energy: -133.627 tors. eta vs tors. theta energy: -257.965 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: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -3129.451436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.451436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.451436 (E_RNA) where: Base-Base interactions energy: -2204.394 where: short stacking energy: -916.097 Base-Backbone interact. energy: -4.878 local terms energy: -920.180327 where: bonds (distance) C4'-P energy: -176.712 bonds (distance) P-C4' energy: -162.861 flat angles C4'-P-C4' energy: -199.486 flat angles P-C4'-P energy: -145.097 tors. eta vs tors. theta energy: -236.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2984.741377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.741377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.741377 (E_RNA) where: Base-Base interactions energy: -2081.651 where: short stacking energy: -904.582 Base-Backbone interact. energy: -3.687 local terms energy: -899.403730 where: bonds (distance) C4'-P energy: -177.787 bonds (distance) P-C4' energy: -179.032 flat angles C4'-P-C4' energy: -206.797 flat angles P-C4'-P energy: -107.261 tors. eta vs tors. theta energy: -228.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2841.889116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.889116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.889116 (E_RNA) where: Base-Base interactions energy: -1976.734 where: short stacking energy: -874.407 Base-Backbone interact. energy: -2.558 local terms energy: -862.597220 where: bonds (distance) C4'-P energy: -151.840 bonds (distance) P-C4' energy: -164.583 flat angles C4'-P-C4' energy: -188.525 flat angles P-C4'-P energy: -127.055 tors. eta vs tors. theta energy: -230.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2683.776870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.776870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.776870 (E_RNA) where: Base-Base interactions energy: -1879.351 where: short stacking energy: -787.748 Base-Backbone interact. energy: 2.008 local terms energy: -806.434478 where: bonds (distance) C4'-P energy: -169.023 bonds (distance) P-C4' energy: -160.171 flat angles C4'-P-C4' energy: -179.404 flat angles P-C4'-P energy: -113.840 tors. eta vs tors. theta energy: -183.996 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: 111 Temperature: 1.150000 Total energy: -2420.276571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.276571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.276571 (E_RNA) where: Base-Base interactions energy: -1687.403 where: short stacking energy: -752.562 Base-Backbone interact. energy: 0.589 local terms energy: -733.462502 where: bonds (distance) C4'-P energy: -144.503 bonds (distance) P-C4' energy: -136.735 flat angles C4'-P-C4' energy: -171.133 flat angles P-C4'-P energy: -92.237 tors. eta vs tors. theta energy: -188.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -2170.618598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.618598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.618598 (E_RNA) where: Base-Base interactions energy: -1422.462 where: short stacking energy: -641.170 Base-Backbone interact. energy: 4.253 local terms energy: -752.409957 where: bonds (distance) C4'-P energy: -148.338 bonds (distance) P-C4' energy: -176.203 flat angles C4'-P-C4' energy: -174.909 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -138.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -2067.247890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2067.247890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2067.247890 (E_RNA) where: Base-Base interactions energy: -1433.958 where: short stacking energy: -606.059 Base-Backbone interact. energy: -0.314 local terms energy: -632.976013 where: bonds (distance) C4'-P energy: -126.694 bonds (distance) P-C4' energy: -132.894 flat angles C4'-P-C4' energy: -162.569 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -136.633 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: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1496.173897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.173897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.173897 (E_RNA) where: Base-Base interactions energy: -920.852 where: short stacking energy: -468.968 Base-Backbone interact. energy: -5.245 local terms energy: -570.076384 where: bonds (distance) C4'-P energy: -125.644 bonds (distance) P-C4' energy: -149.992 flat angles C4'-P-C4' energy: -159.602 flat angles P-C4'-P energy: -70.762 tors. eta vs tors. theta energy: -64.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -1392.198429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.198429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.198429 (E_RNA) where: Base-Base interactions energy: -825.600 where: short stacking energy: -400.603 Base-Backbone interact. energy: -4.116 local terms energy: -562.483032 where: bonds (distance) C4'-P energy: -146.739 bonds (distance) P-C4' energy: -171.979 flat angles C4'-P-C4' energy: -143.109 flat angles P-C4'-P energy: -69.343 tors. eta vs tors. theta energy: -31.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3213.280508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.280508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.280508 (E_RNA) where: Base-Base interactions energy: -2284.417 where: short stacking energy: -975.392 Base-Backbone interact. energy: -5.183 local terms energy: -923.680377 where: bonds (distance) C4'-P energy: -173.397 bonds (distance) P-C4' energy: -174.183 flat angles C4'-P-C4' energy: -185.613 flat angles P-C4'-P energy: -142.110 tors. eta vs tors. theta energy: -248.377 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -3128.272251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.272251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.272251 (E_RNA) where: Base-Base interactions energy: -2213.597 where: short stacking energy: -939.914 Base-Backbone interact. energy: -2.154 local terms energy: -912.521044 where: bonds (distance) C4'-P energy: -164.590 bonds (distance) P-C4' energy: -175.864 flat angles C4'-P-C4' energy: -206.259 flat angles P-C4'-P energy: -126.720 tors. eta vs tors. theta energy: -239.087 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: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2982.712839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.712839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.712839 (E_RNA) where: Base-Base interactions energy: -2075.969 where: short stacking energy: -892.927 Base-Backbone interact. energy: -2.778 local terms energy: -903.965322 where: bonds (distance) C4'-P energy: -144.922 bonds (distance) P-C4' energy: -188.872 flat angles C4'-P-C4' energy: -193.340 flat angles P-C4'-P energy: -139.212 tors. eta vs tors. theta energy: -237.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2834.931028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.931028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.931028 (E_RNA) where: Base-Base interactions energy: -1922.960 where: short stacking energy: -850.836 Base-Backbone interact. energy: -3.977 local terms energy: -907.994842 where: bonds (distance) C4'-P energy: -154.977 bonds (distance) P-C4' energy: -190.484 flat angles C4'-P-C4' energy: -195.566 flat angles P-C4'-P energy: -137.826 tors. eta vs tors. theta energy: -229.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2700.169712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.169712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.169712 (E_RNA) where: Base-Base interactions energy: -1885.495 where: short stacking energy: -773.576 Base-Backbone interact. energy: 0.251 local terms energy: -814.925291 where: bonds (distance) C4'-P energy: -155.246 bonds (distance) P-C4' energy: -159.077 flat angles C4'-P-C4' energy: -195.782 flat angles P-C4'-P energy: -111.493 tors. eta vs tors. theta energy: -193.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2428.068009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.068009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.068009 (E_RNA) where: Base-Base interactions energy: -1645.919 where: short stacking energy: -720.993 Base-Backbone interact. energy: -5.470 local terms energy: -776.679278 where: bonds (distance) C4'-P energy: -163.245 bonds (distance) P-C4' energy: -165.136 flat angles C4'-P-C4' energy: -170.522 flat angles P-C4'-P energy: -114.485 tors. eta vs tors. theta energy: -163.290 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: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2228.600423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.600423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.600423 (E_RNA) where: Base-Base interactions energy: -1515.177 where: short stacking energy: -654.404 Base-Backbone interact. energy: -2.846 local terms energy: -710.577041 where: bonds (distance) C4'-P energy: -143.351 bonds (distance) P-C4' energy: -155.268 flat angles C4'-P-C4' energy: -161.037 flat angles P-C4'-P energy: -94.487 tors. eta vs tors. theta energy: -156.433 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: 7 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -2013.481867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.481867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.481867 (E_RNA) where: Base-Base interactions energy: -1338.412 where: short stacking energy: -601.992 Base-Backbone interact. energy: -1.621 local terms energy: -673.449480 where: bonds (distance) C4'-P energy: -131.552 bonds (distance) P-C4' energy: -160.076 flat angles C4'-P-C4' energy: -167.617 flat angles P-C4'-P energy: -105.818 tors. eta vs tors. theta energy: -108.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1535.104575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.104575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.104575 (E_RNA) where: Base-Base interactions energy: -985.155 where: short stacking energy: -473.119 Base-Backbone interact. energy: 5.416 local terms energy: -555.365898 where: bonds (distance) C4'-P energy: -109.858 bonds (distance) P-C4' energy: -166.286 flat angles C4'-P-C4' energy: -120.956 flat angles P-C4'-P energy: -86.641 tors. eta vs tors. theta energy: -71.626 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: 9 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -1313.072287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.072287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.072287 (E_RNA) where: Base-Base interactions energy: -763.446 where: short stacking energy: -386.898 Base-Backbone interact. energy: 7.245 local terms energy: -556.871552 where: bonds (distance) C4'-P energy: -121.192 bonds (distance) P-C4' energy: -172.539 flat angles C4'-P-C4' energy: -146.817 flat angles P-C4'-P energy: -71.612 tors. eta vs tors. theta energy: -44.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3258.972826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.972826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.972826 (E_RNA) where: Base-Base interactions energy: -2306.793 where: short stacking energy: -970.574 Base-Backbone interact. energy: -4.550 local terms energy: -947.629897 where: bonds (distance) C4'-P energy: -178.203 bonds (distance) P-C4' energy: -175.901 flat angles C4'-P-C4' energy: -207.465 flat angles P-C4'-P energy: -148.500 tors. eta vs tors. theta energy: -237.561 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: 4 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -3158.350955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.350955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.350955 (E_RNA) where: Base-Base interactions energy: -2213.246 where: short stacking energy: -939.169 Base-Backbone interact. energy: -5.723 local terms energy: -939.381814 where: bonds (distance) C4'-P energy: -165.868 bonds (distance) P-C4' energy: -183.430 flat angles C4'-P-C4' energy: -218.227 flat angles P-C4'-P energy: -129.053 tors. eta vs tors. theta energy: -242.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2981.706937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.706937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.706937 (E_RNA) where: Base-Base interactions energy: -2093.413 where: short stacking energy: -925.541 Base-Backbone interact. energy: 3.299 local terms energy: -891.592343 where: bonds (distance) C4'-P energy: -172.833 bonds (distance) P-C4' energy: -166.847 flat angles C4'-P-C4' energy: -193.775 flat angles P-C4'-P energy: -124.346 tors. eta vs tors. theta energy: -233.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2807.089597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.089597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.089597 (E_RNA) where: Base-Base interactions energy: -1955.236 where: short stacking energy: -854.669 Base-Backbone interact. energy: 0.199 local terms energy: -852.052621 where: bonds (distance) C4'-P energy: -152.579 bonds (distance) P-C4' energy: -167.259 flat angles C4'-P-C4' energy: -201.513 flat angles P-C4'-P energy: -112.720 tors. eta vs tors. theta energy: -217.981 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: 5, replica: 1 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2736.127378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.127378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.127378 (E_RNA) where: Base-Base interactions energy: -1867.033 where: short stacking energy: -854.266 Base-Backbone interact. energy: 0.806 local terms energy: -869.899929 where: bonds (distance) C4'-P energy: -159.495 bonds (distance) P-C4' energy: -168.118 flat angles C4'-P-C4' energy: -192.768 flat angles P-C4'-P energy: -126.006 tors. eta vs tors. theta energy: -223.512 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: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2422.605461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.605461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.605461 (E_RNA) where: Base-Base interactions energy: -1657.594 where: short stacking energy: -705.151 Base-Backbone interact. energy: -3.548 local terms energy: -761.462640 where: bonds (distance) C4'-P energy: -141.226 bonds (distance) P-C4' energy: -162.171 flat angles C4'-P-C4' energy: -174.485 flat angles P-C4'-P energy: -110.621 tors. eta vs tors. theta energy: -172.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -2222.701372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.701372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.701372 (E_RNA) where: Base-Base interactions energy: -1538.186 where: short stacking energy: -658.035 Base-Backbone interact. energy: -3.701 local terms energy: -680.814945 where: bonds (distance) C4'-P energy: -128.415 bonds (distance) P-C4' energy: -140.396 flat angles C4'-P-C4' energy: -169.474 flat angles P-C4'-P energy: -103.933 tors. eta vs tors. theta energy: -138.597 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: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -2075.541323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.541323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.541323 (E_RNA) where: Base-Base interactions energy: -1410.621 where: short stacking energy: -620.405 Base-Backbone interact. energy: 6.229 local terms energy: -671.149101 where: bonds (distance) C4'-P energy: -148.888 bonds (distance) P-C4' energy: -166.374 flat angles C4'-P-C4' energy: -153.542 flat angles P-C4'-P energy: -86.053 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: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1619.239218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.239218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.239218 (E_RNA) where: Base-Base interactions energy: -1018.419 where: short stacking energy: -493.573 Base-Backbone interact. energy: 2.532 local terms energy: -603.352118 where: bonds (distance) C4'-P energy: -150.396 bonds (distance) P-C4' energy: -132.032 flat angles C4'-P-C4' energy: -157.169 flat angles P-C4'-P energy: -93.122 tors. eta vs tors. theta energy: -70.633 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: 10, replica: 9 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -1336.992044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.992044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.992044 (E_RNA) where: Base-Base interactions energy: -856.967 where: short stacking energy: -384.634 Base-Backbone interact. energy: 2.355 local terms energy: -482.379470 where: bonds (distance) C4'-P energy: -126.330 bonds (distance) P-C4' energy: -127.929 flat angles C4'-P-C4' energy: -124.911 flat angles P-C4'-P energy: -75.474 tors. eta vs tors. theta energy: -27.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3236.013863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.013863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.013863 (E_RNA) where: Base-Base interactions energy: -2257.585 where: short stacking energy: -969.270 Base-Backbone interact. energy: -7.369 local terms energy: -971.060177 where: bonds (distance) C4'-P energy: -178.957 bonds (distance) P-C4' energy: -191.822 flat angles C4'-P-C4' energy: -217.551 flat angles P-C4'-P energy: -124.825 tors. eta vs tors. theta energy: -257.905 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: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -3141.105732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.105732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.105732 (E_RNA) where: Base-Base interactions energy: -2217.110 where: short stacking energy: -932.350 Base-Backbone interact. energy: -4.833 local terms energy: -919.163231 where: bonds (distance) C4'-P energy: -187.718 bonds (distance) P-C4' energy: -173.180 flat angles C4'-P-C4' energy: -195.186 flat angles P-C4'-P energy: -123.904 tors. eta vs tors. theta energy: -239.175 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: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -3020.187396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.187396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.187396 (E_RNA) where: Base-Base interactions energy: -2124.754 where: short stacking energy: -907.300 Base-Backbone interact. energy: -1.461 local terms energy: -893.971609 where: bonds (distance) C4'-P energy: -177.675 bonds (distance) P-C4' energy: -169.347 flat angles C4'-P-C4' energy: -187.987 flat angles P-C4'-P energy: -134.530 tors. eta vs tors. theta energy: -224.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2873.057305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.057305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.057305 (E_RNA) where: Base-Base interactions energy: -1975.816 where: short stacking energy: -859.077 Base-Backbone interact. energy: -0.897 local terms energy: -896.343891 where: bonds (distance) C4'-P energy: -172.191 bonds (distance) P-C4' energy: -164.902 flat angles C4'-P-C4' energy: -196.715 flat angles P-C4'-P energy: -126.917 tors. eta vs tors. theta energy: -235.618 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: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2680.365019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.365019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.365019 (E_RNA) where: Base-Base interactions energy: -1832.337 where: short stacking energy: -792.127 Base-Backbone interact. energy: -0.458 local terms energy: -847.570405 where: bonds (distance) C4'-P energy: -170.034 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -186.922 flat angles P-C4'-P energy: -110.146 tors. eta vs tors. theta energy: -217.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2393.064023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.064023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.064023 (E_RNA) where: Base-Base interactions energy: -1640.872 where: short stacking energy: -722.715 Base-Backbone interact. energy: -2.850 local terms energy: -749.341954 where: bonds (distance) C4'-P energy: -153.832 bonds (distance) P-C4' energy: -169.342 flat angles C4'-P-C4' energy: -183.826 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -142.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2276.472065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.472065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.472065 (E_RNA) where: Base-Base interactions energy: -1542.266 where: short stacking energy: -697.386 Base-Backbone interact. energy: 7.643 local terms energy: -741.849186 where: bonds (distance) C4'-P energy: -144.045 bonds (distance) P-C4' energy: -162.242 flat angles C4'-P-C4' energy: -169.458 flat angles P-C4'-P energy: -105.194 tors. eta vs tors. theta energy: -160.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -2105.079387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2105.079387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2105.079387 (E_RNA) where: Base-Base interactions energy: -1437.264 where: short stacking energy: -646.020 Base-Backbone interact. energy: -2.358 local terms energy: -665.457280 where: bonds (distance) C4'-P energy: -147.128 bonds (distance) P-C4' energy: -149.912 flat angles C4'-P-C4' energy: -153.794 flat angles P-C4'-P energy: -80.418 tors. eta vs tors. theta energy: -134.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1484.874530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.874530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.874530 (E_RNA) where: Base-Base interactions energy: -854.722 where: short stacking energy: -393.437 Base-Backbone interact. energy: -1.390 local terms energy: -628.763359 where: bonds (distance) C4'-P energy: -154.947 bonds (distance) P-C4' energy: -171.126 flat angles C4'-P-C4' energy: -151.135 flat angles P-C4'-P energy: -101.713 tors. eta vs tors. theta energy: -49.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -1297.928482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.928482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.928482 (E_RNA) where: Base-Base interactions energy: -821.194 where: short stacking energy: -377.622 Base-Backbone interact. energy: 2.290 local terms energy: -479.024980 where: bonds (distance) C4'-P energy: -139.045 bonds (distance) P-C4' energy: -128.180 flat angles C4'-P-C4' energy: -129.264 flat angles P-C4'-P energy: -61.504 tors. eta vs tors. theta energy: -21.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3207.381777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.381777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.381777 (E_RNA) where: Base-Base interactions energy: -2252.189 where: short stacking energy: -967.598 Base-Backbone interact. energy: -0.298 local terms energy: -954.894003 where: bonds (distance) C4'-P energy: -173.608 bonds (distance) P-C4' energy: -182.275 flat angles C4'-P-C4' energy: -204.033 flat angles P-C4'-P energy: -144.380 tors. eta vs tors. theta energy: -250.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -3177.269800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.269800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.269800 (E_RNA) where: Base-Base interactions energy: -2198.324 where: short stacking energy: -970.764 Base-Backbone interact. energy: -7.277 local terms energy: -971.669213 where: bonds (distance) C4'-P energy: -193.641 bonds (distance) P-C4' energy: -170.672 flat angles C4'-P-C4' energy: -217.254 flat angles P-C4'-P energy: -136.263 tors. eta vs tors. theta energy: -253.840 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: 115 Temperature: 1.000000 Total energy: -3010.240381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.240381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.240381 (E_RNA) where: Base-Base interactions energy: -2079.053 where: short stacking energy: -871.231 Base-Backbone interact. energy: -6.793 local terms energy: -924.394539 where: bonds (distance) C4'-P energy: -162.137 bonds (distance) P-C4' energy: -192.291 flat angles C4'-P-C4' energy: -193.667 flat angles P-C4'-P energy: -138.605 tors. eta vs tors. theta energy: -237.694 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: 115 Temperature: 1.050000 Total energy: -2832.466272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.466272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.466272 (E_RNA) where: Base-Base interactions energy: -1957.349 where: short stacking energy: -821.847 Base-Backbone interact. energy: 1.354 local terms energy: -876.471790 where: bonds (distance) C4'-P energy: -166.834 bonds (distance) P-C4' energy: -179.074 flat angles C4'-P-C4' energy: -182.061 flat angles P-C4'-P energy: -128.882 tors. eta vs tors. theta energy: -219.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2669.961640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.961640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.961640 (E_RNA) where: Base-Base interactions energy: -1815.814 where: short stacking energy: -807.626 Base-Backbone interact. energy: 2.214 local terms energy: -856.361183 where: bonds (distance) C4'-P energy: -176.479 bonds (distance) P-C4' energy: -164.491 flat angles C4'-P-C4' energy: -184.427 flat angles P-C4'-P energy: -125.741 tors. eta vs tors. theta energy: -205.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2393.450025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.450025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.450025 (E_RNA) where: Base-Base interactions energy: -1640.011 where: short stacking energy: -726.231 Base-Backbone interact. energy: -2.322 local terms energy: -751.116588 where: bonds (distance) C4'-P energy: -135.512 bonds (distance) P-C4' energy: -177.384 flat angles C4'-P-C4' energy: -141.318 flat angles P-C4'-P energy: -131.109 tors. eta vs tors. theta energy: -165.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -2234.972734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.972734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.972734 (E_RNA) where: Base-Base interactions energy: -1542.899 where: short stacking energy: -684.605 Base-Backbone interact. energy: -2.507 local terms energy: -689.566465 where: bonds (distance) C4'-P energy: -149.756 bonds (distance) P-C4' energy: -160.960 flat angles C4'-P-C4' energy: -147.108 flat angles P-C4'-P energy: -82.247 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: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -2120.746276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.746276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.746276 (E_RNA) where: Base-Base interactions energy: -1460.789 where: short stacking energy: -645.272 Base-Backbone interact. energy: 7.568 local terms energy: -667.524754 where: bonds (distance) C4'-P energy: -145.106 bonds (distance) P-C4' energy: -132.324 flat angles C4'-P-C4' energy: -165.632 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -129.492 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: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1562.203746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.203746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.203746 (E_RNA) where: Base-Base interactions energy: -960.495 where: short stacking energy: -472.168 Base-Backbone interact. energy: 1.148 local terms energy: -602.856675 where: bonds (distance) C4'-P energy: -142.629 bonds (distance) P-C4' energy: -149.494 flat angles C4'-P-C4' energy: -155.611 flat angles P-C4'-P energy: -98.018 tors. eta vs tors. theta energy: -57.104 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: 9 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -1196.867841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.867841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.867841 (E_RNA) where: Base-Base interactions energy: -697.047 where: short stacking energy: -327.838 Base-Backbone interact. energy: 3.811 local terms energy: -503.631407 where: bonds (distance) C4'-P energy: -141.411 bonds (distance) P-C4' energy: -138.691 flat angles C4'-P-C4' energy: -146.342 flat angles P-C4'-P energy: -81.929 tors. eta vs tors. theta energy: 4.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3242.341605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.341605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.341605 (E_RNA) where: Base-Base interactions energy: -2273.908 where: short stacking energy: -952.974 Base-Backbone interact. energy: -1.466 local terms energy: -966.966909 where: bonds (distance) C4'-P energy: -183.636 bonds (distance) P-C4' energy: -187.128 flat angles C4'-P-C4' energy: -200.753 flat angles P-C4'-P energy: -140.452 tors. eta vs tors. theta energy: -254.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -3113.452207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.452207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.452207 (E_RNA) where: Base-Base interactions energy: -2187.946 where: short stacking energy: -928.762 Base-Backbone interact. energy: 0.012 local terms energy: -925.518118 where: bonds (distance) C4'-P energy: -175.488 bonds (distance) P-C4' energy: -184.201 flat angles C4'-P-C4' energy: -199.248 flat angles P-C4'-P energy: -128.499 tors. eta vs tors. theta energy: -238.082 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: 116 Temperature: 1.000000 Total energy: -2996.096308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.096308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.096308 (E_RNA) where: Base-Base interactions energy: -2100.402 where: short stacking energy: -888.873 Base-Backbone interact. energy: -3.741 local terms energy: -891.953831 where: bonds (distance) C4'-P energy: -169.258 bonds (distance) P-C4' energy: -174.394 flat angles C4'-P-C4' energy: -181.867 flat angles P-C4'-P energy: -123.877 tors. eta vs tors. theta energy: -242.558 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: 6 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2883.896459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.896459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.896459 (E_RNA) where: Base-Base interactions energy: -1988.168 where: short stacking energy: -854.566 Base-Backbone interact. energy: -2.933 local terms energy: -892.795000 where: bonds (distance) C4'-P energy: -173.071 bonds (distance) P-C4' energy: -183.444 flat angles C4'-P-C4' energy: -188.136 flat angles P-C4'-P energy: -122.986 tors. eta vs tors. theta energy: -225.156 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: 5, replica: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2703.267338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.267338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.267338 (E_RNA) where: Base-Base interactions energy: -1820.820 where: short stacking energy: -800.723 Base-Backbone interact. energy: 0.923 local terms energy: -883.370024 where: bonds (distance) C4'-P energy: -160.975 bonds (distance) P-C4' energy: -180.701 flat angles C4'-P-C4' energy: -198.720 flat angles P-C4'-P energy: -128.167 tors. eta vs tors. theta energy: -214.806 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: 2 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -2503.473445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.473445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.473445 (E_RNA) where: Base-Base interactions energy: -1709.517 where: short stacking energy: -751.418 Base-Backbone interact. energy: 1.856 local terms energy: -795.812147 where: bonds (distance) C4'-P energy: -158.024 bonds (distance) P-C4' energy: -149.850 flat angles C4'-P-C4' energy: -184.799 flat angles P-C4'-P energy: -121.705 tors. eta vs tors. theta energy: -181.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2263.040117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.040117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.040117 (E_RNA) where: Base-Base interactions energy: -1527.831 where: short stacking energy: -669.181 Base-Backbone interact. energy: -2.373 local terms energy: -732.836129 where: bonds (distance) C4'-P energy: -143.811 bonds (distance) P-C4' energy: -155.130 flat angles C4'-P-C4' energy: -175.898 flat angles P-C4'-P energy: -104.793 tors. eta vs tors. theta energy: -153.203 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: 7 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -2027.972438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.972438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.972438 (E_RNA) where: Base-Base interactions energy: -1318.069 where: short stacking energy: -612.193 Base-Backbone interact. energy: -3.303 local terms energy: -706.601123 where: bonds (distance) C4'-P energy: -154.255 bonds (distance) P-C4' energy: -165.841 flat angles C4'-P-C4' energy: -158.964 flat angles P-C4'-P energy: -103.038 tors. eta vs tors. theta energy: -124.503 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: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1583.187009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.187009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.187009 (E_RNA) where: Base-Base interactions energy: -995.329 where: short stacking energy: -487.220 Base-Backbone interact. energy: 0.420 local terms energy: -588.278180 where: bonds (distance) C4'-P energy: -136.233 bonds (distance) P-C4' energy: -152.325 flat angles C4'-P-C4' energy: -149.280 flat angles P-C4'-P energy: -77.473 tors. eta vs tors. theta energy: -72.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -1233.151158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.151158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.151158 (E_RNA) where: Base-Base interactions energy: -731.374 where: short stacking energy: -354.323 Base-Backbone interact. energy: 0.117 local terms energy: -501.894096 where: bonds (distance) C4'-P energy: -127.345 bonds (distance) P-C4' energy: -134.812 flat angles C4'-P-C4' energy: -150.431 flat angles P-C4'-P energy: -67.364 tors. eta vs tors. theta energy: -21.942 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: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3244.160094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.160094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.160094 (E_RNA) where: Base-Base interactions energy: -2261.780 where: short stacking energy: -983.451 Base-Backbone interact. energy: -5.404 local terms energy: -976.976076 where: bonds (distance) C4'-P energy: -191.255 bonds (distance) P-C4' energy: -183.576 flat angles C4'-P-C4' energy: -197.588 flat angles P-C4'-P energy: -142.607 tors. eta vs tors. theta energy: -261.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -3142.858962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.858962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.858962 (E_RNA) where: Base-Base interactions energy: -2198.585 where: short stacking energy: -947.362 Base-Backbone interact. energy: -5.491 local terms energy: -938.782699 where: bonds (distance) C4'-P energy: -172.303 bonds (distance) P-C4' energy: -185.314 flat angles C4'-P-C4' energy: -206.437 flat angles P-C4'-P energy: -118.562 tors. eta vs tors. theta energy: -256.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2994.113797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.113797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.113797 (E_RNA) where: Base-Base interactions energy: -2089.702 where: short stacking energy: -885.372 Base-Backbone interact. energy: -2.799 local terms energy: -901.612246 where: bonds (distance) C4'-P energy: -162.146 bonds (distance) P-C4' energy: -165.067 flat angles C4'-P-C4' energy: -196.351 flat angles P-C4'-P energy: -140.369 tors. eta vs tors. theta energy: -237.679 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: 6 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2853.628915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.628915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.628915 (E_RNA) where: Base-Base interactions energy: -1992.510 where: short stacking energy: -847.478 Base-Backbone interact. energy: -3.228 local terms energy: -857.891042 where: bonds (distance) C4'-P energy: -158.208 bonds (distance) P-C4' energy: -162.993 flat angles C4'-P-C4' energy: -187.057 flat angles P-C4'-P energy: -121.275 tors. eta vs tors. theta energy: -228.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2668.576253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.576253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.576253 (E_RNA) where: Base-Base interactions energy: -1816.840 where: short stacking energy: -820.126 Base-Backbone interact. energy: -1.583 local terms energy: -850.152420 where: bonds (distance) C4'-P energy: -158.531 bonds (distance) P-C4' energy: -171.572 flat angles C4'-P-C4' energy: -198.295 flat angles P-C4'-P energy: -120.473 tors. eta vs tors. theta energy: -201.280 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: 2 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2466.582628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.582628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.582628 (E_RNA) where: Base-Base interactions energy: -1689.269 where: short stacking energy: -762.401 Base-Backbone interact. energy: -2.418 local terms energy: -774.895534 where: bonds (distance) C4'-P energy: -179.751 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -173.665 flat angles P-C4'-P energy: -91.506 tors. eta vs tors. theta energy: -178.345 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: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2276.481602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.481602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.481602 (E_RNA) where: Base-Base interactions energy: -1542.321 where: short stacking energy: -678.833 Base-Backbone interact. energy: -1.304 local terms energy: -732.856669 where: bonds (distance) C4'-P energy: -165.863 bonds (distance) P-C4' energy: -153.445 flat angles C4'-P-C4' energy: -156.270 flat angles P-C4'-P energy: -105.710 tors. eta vs tors. theta energy: -151.569 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: 7 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -2050.387098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.387098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.387098 (E_RNA) where: Base-Base interactions energy: -1380.406 where: short stacking energy: -628.070 Base-Backbone interact. energy: -1.074 local terms energy: -668.907031 where: bonds (distance) C4'-P energy: -146.749 bonds (distance) P-C4' energy: -144.103 flat angles C4'-P-C4' energy: -161.298 flat angles P-C4'-P energy: -83.729 tors. eta vs tors. theta energy: -133.028 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: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1664.283474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.283474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.283474 (E_RNA) where: Base-Base interactions energy: -1051.869 where: short stacking energy: -517.355 Base-Backbone interact. energy: 0.871 local terms energy: -613.285908 where: bonds (distance) C4'-P energy: -143.422 bonds (distance) P-C4' energy: -150.795 flat angles C4'-P-C4' energy: -145.717 flat angles P-C4'-P energy: -90.323 tors. eta vs tors. theta energy: -83.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -1350.368825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.368825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.368825 (E_RNA) where: Base-Base interactions energy: -775.905 where: short stacking energy: -361.015 Base-Backbone interact. energy: 0.981 local terms energy: -575.445160 where: bonds (distance) C4'-P energy: -154.539 bonds (distance) P-C4' energy: -157.438 flat angles C4'-P-C4' energy: -128.239 flat angles P-C4'-P energy: -90.118 tors. eta vs tors. theta energy: -45.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3240.046365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.046365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.046365 (E_RNA) where: Base-Base interactions energy: -2261.442 where: short stacking energy: -996.283 Base-Backbone interact. energy: -3.509 local terms energy: -975.095584 where: bonds (distance) C4'-P energy: -188.739 bonds (distance) P-C4' energy: -174.205 flat angles C4'-P-C4' energy: -213.963 flat angles P-C4'-P energy: -138.148 tors. eta vs tors. theta energy: -260.041 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: 4 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -3100.134528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.134528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.134528 (E_RNA) where: Base-Base interactions energy: -2173.032 where: short stacking energy: -915.225 Base-Backbone interact. energy: 1.493 local terms energy: -928.595633 where: bonds (distance) C4'-P energy: -175.844 bonds (distance) P-C4' energy: -185.264 flat angles C4'-P-C4' energy: -197.115 flat angles P-C4'-P energy: -136.854 tors. eta vs tors. theta energy: -233.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2973.808626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.808626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.808626 (E_RNA) where: Base-Base interactions energy: -2063.291 where: short stacking energy: -895.055 Base-Backbone interact. energy: -4.805 local terms energy: -905.712485 where: bonds (distance) C4'-P energy: -183.018 bonds (distance) P-C4' energy: -168.201 flat angles C4'-P-C4' energy: -180.694 flat angles P-C4'-P energy: -135.031 tors. eta vs tors. theta energy: -238.767 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: 6 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2914.392180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.392180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.392180 (E_RNA) where: Base-Base interactions energy: -2058.707 where: short stacking energy: -868.192 Base-Backbone interact. energy: -3.090 local terms energy: -852.595177 where: bonds (distance) C4'-P energy: -161.752 bonds (distance) P-C4' energy: -158.609 flat angles C4'-P-C4' energy: -186.847 flat angles P-C4'-P energy: -121.581 tors. eta vs tors. theta energy: -223.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2703.899807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.899807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.899807 (E_RNA) where: Base-Base interactions energy: -1834.764 where: short stacking energy: -829.004 Base-Backbone interact. energy: 5.488 local terms energy: -874.624253 where: bonds (distance) C4'-P energy: -166.255 bonds (distance) P-C4' energy: -172.287 flat angles C4'-P-C4' energy: -197.989 flat angles P-C4'-P energy: -125.088 tors. eta vs tors. theta energy: -213.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2461.010259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.010259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.010259 (E_RNA) where: Base-Base interactions energy: -1687.495 where: short stacking energy: -769.014 Base-Backbone interact. energy: -0.005 local terms energy: -773.509891 where: bonds (distance) C4'-P energy: -165.225 bonds (distance) P-C4' energy: -152.095 flat angles C4'-P-C4' energy: -171.450 flat angles P-C4'-P energy: -100.798 tors. eta vs tors. theta energy: -183.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2265.279400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.279400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.279400 (E_RNA) where: Base-Base interactions energy: -1550.171 where: short stacking energy: -635.927 Base-Backbone interact. energy: 5.356 local terms energy: -720.464220 where: bonds (distance) C4'-P energy: -137.684 bonds (distance) P-C4' energy: -164.939 flat angles C4'-P-C4' energy: -182.420 flat angles P-C4'-P energy: -105.975 tors. eta vs tors. theta energy: -129.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -2063.010376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.010376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.010376 (E_RNA) where: Base-Base interactions energy: -1387.622 where: short stacking energy: -628.221 Base-Backbone interact. energy: -2.108 local terms energy: -673.280513 where: bonds (distance) C4'-P energy: -156.587 bonds (distance) P-C4' energy: -136.102 flat angles C4'-P-C4' energy: -161.646 flat angles P-C4'-P energy: -92.078 tors. eta vs tors. theta energy: -126.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1708.822488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.822488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.822488 (E_RNA) where: Base-Base interactions energy: -1111.551 where: short stacking energy: -506.149 Base-Backbone interact. energy: -1.463 local terms energy: -595.809088 where: bonds (distance) C4'-P energy: -129.023 bonds (distance) P-C4' energy: -166.226 flat angles C4'-P-C4' energy: -118.760 flat angles P-C4'-P energy: -95.747 tors. eta vs tors. theta energy: -86.053 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: 9 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -1427.984699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.984699 (E_RNA) where: Base-Base interactions energy: -873.099 where: short stacking energy: -439.662 Base-Backbone interact. energy: 3.080 local terms energy: -557.966130 where: bonds (distance) C4'-P energy: -157.524 bonds (distance) P-C4' energy: -148.750 flat angles C4'-P-C4' energy: -138.130 flat angles P-C4'-P energy: -63.941 tors. eta vs tors. theta energy: -49.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3221.688966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.688966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.688966 (E_RNA) where: Base-Base interactions energy: -2255.950 where: short stacking energy: -967.419 Base-Backbone interact. energy: 0.570 local terms energy: -966.308688 where: bonds (distance) C4'-P energy: -174.706 bonds (distance) P-C4' energy: -188.072 flat angles C4'-P-C4' energy: -221.398 flat angles P-C4'-P energy: -147.567 tors. eta vs tors. theta energy: -234.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -3093.945959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.945959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.945959 (E_RNA) where: Base-Base interactions energy: -2131.682 where: short stacking energy: -899.744 Base-Backbone interact. energy: -6.420 local terms energy: -955.843660 where: bonds (distance) C4'-P energy: -163.074 bonds (distance) P-C4' energy: -192.176 flat angles C4'-P-C4' energy: -213.691 flat angles P-C4'-P energy: -153.521 tors. eta vs tors. theta energy: -233.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -3004.322811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.322811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.322811 (E_RNA) where: Base-Base interactions energy: -2112.135 where: short stacking energy: -908.982 Base-Backbone interact. energy: 0.276 local terms energy: -892.463406 where: bonds (distance) C4'-P energy: -169.007 bonds (distance) P-C4' energy: -173.154 flat angles C4'-P-C4' energy: -184.359 flat angles P-C4'-P energy: -136.053 tors. eta vs tors. theta energy: -229.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2867.198062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.198062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.198062 (E_RNA) where: Base-Base interactions energy: -1984.858 where: short stacking energy: -840.166 Base-Backbone interact. energy: -2.200 local terms energy: -880.140889 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -175.765 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -113.988 tors. eta vs tors. theta energy: -234.938 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: 1 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2668.265407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.265407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.265407 (E_RNA) where: Base-Base interactions energy: -1803.745 where: short stacking energy: -796.505 Base-Backbone interact. energy: 0.251 local terms energy: -864.771347 where: bonds (distance) C4'-P energy: -160.796 bonds (distance) P-C4' energy: -168.738 flat angles C4'-P-C4' energy: -185.508 flat angles P-C4'-P energy: -133.992 tors. eta vs tors. theta energy: -215.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2473.628986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.628986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.628986 (E_RNA) where: Base-Base interactions energy: -1732.014 where: short stacking energy: -739.204 Base-Backbone interact. energy: -2.168 local terms energy: -739.447414 where: bonds (distance) C4'-P energy: -162.670 bonds (distance) P-C4' energy: -139.281 flat angles C4'-P-C4' energy: -170.691 flat angles P-C4'-P energy: -95.211 tors. eta vs tors. theta energy: -171.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2391.144456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.144456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.144456 (E_RNA) where: Base-Base interactions energy: -1644.940 where: short stacking energy: -713.760 Base-Backbone interact. energy: -5.251 local terms energy: -740.953369 where: bonds (distance) C4'-P energy: -147.123 bonds (distance) P-C4' energy: -157.832 flat angles C4'-P-C4' energy: -186.963 flat angles P-C4'-P energy: -98.791 tors. eta vs tors. theta energy: -150.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -2083.311747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.311747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.311747 (E_RNA) where: Base-Base interactions energy: -1418.530 where: short stacking energy: -636.089 Base-Backbone interact. energy: 0.327 local terms energy: -665.108274 where: bonds (distance) C4'-P energy: -138.451 bonds (distance) P-C4' energy: -139.831 flat angles C4'-P-C4' energy: -149.604 flat angles P-C4'-P energy: -101.125 tors. eta vs tors. theta energy: -136.097 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: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1697.193219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.193219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.193219 (E_RNA) where: Base-Base interactions energy: -1073.457 where: short stacking energy: -481.073 Base-Backbone interact. energy: 2.763 local terms energy: -626.498867 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -160.737 flat angles C4'-P-C4' energy: -158.574 flat angles P-C4'-P energy: -89.616 tors. eta vs tors. theta energy: -81.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -1399.753228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.753228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.753228 (E_RNA) where: Base-Base interactions energy: -846.032 where: short stacking energy: -415.631 Base-Backbone interact. energy: 8.868 local terms energy: -562.589692 where: bonds (distance) C4'-P energy: -157.898 bonds (distance) P-C4' energy: -156.870 flat angles C4'-P-C4' energy: -141.788 flat angles P-C4'-P energy: -56.045 tors. eta vs tors. theta energy: -49.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3212.474881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.474881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.474881 (E_RNA) where: Base-Base interactions energy: -2245.503 where: short stacking energy: -960.900 Base-Backbone interact. energy: -2.765 local terms energy: -964.206861 where: bonds (distance) C4'-P energy: -178.896 bonds (distance) P-C4' energy: -191.706 flat angles C4'-P-C4' energy: -202.142 flat angles P-C4'-P energy: -144.322 tors. eta vs tors. theta energy: -247.141 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: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -3121.457252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.457252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.457252 (E_RNA) where: Base-Base interactions energy: -2168.285 where: short stacking energy: -917.800 Base-Backbone interact. energy: -4.612 local terms energy: -948.560272 where: bonds (distance) C4'-P energy: -171.538 bonds (distance) P-C4' energy: -196.148 flat angles C4'-P-C4' energy: -197.797 flat angles P-C4'-P energy: -137.471 tors. eta vs tors. theta energy: -245.607 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: 6 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2984.345309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.345309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.345309 (E_RNA) where: Base-Base interactions energy: -2075.390 where: short stacking energy: -888.847 Base-Backbone interact. energy: -5.422 local terms energy: -903.533311 where: bonds (distance) C4'-P energy: -165.682 bonds (distance) P-C4' energy: -173.735 flat angles C4'-P-C4' energy: -203.068 flat angles P-C4'-P energy: -127.812 tors. eta vs tors. theta energy: -233.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2932.182429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.182429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.182429 (E_RNA) where: Base-Base interactions energy: -2069.910 where: short stacking energy: -870.825 Base-Backbone interact. energy: -11.307 local terms energy: -850.965166 where: bonds (distance) C4'-P energy: -156.984 bonds (distance) P-C4' energy: -177.539 flat angles C4'-P-C4' energy: -180.615 flat angles P-C4'-P energy: -112.445 tors. eta vs tors. theta energy: -223.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2713.540728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.540728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.540728 (E_RNA) where: Base-Base interactions energy: -1895.412 where: short stacking energy: -831.435 Base-Backbone interact. energy: -1.399 local terms energy: -816.729798 where: bonds (distance) C4'-P energy: -171.551 bonds (distance) P-C4' energy: -135.226 flat angles C4'-P-C4' energy: -176.579 flat angles P-C4'-P energy: -125.751 tors. eta vs tors. theta energy: -207.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2498.035293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.035293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.035293 (E_RNA) where: Base-Base interactions energy: -1712.612 where: short stacking energy: -778.591 Base-Backbone interact. energy: -0.649 local terms energy: -784.774712 where: bonds (distance) C4'-P energy: -139.172 bonds (distance) P-C4' energy: -173.777 flat angles C4'-P-C4' energy: -173.420 flat angles P-C4'-P energy: -124.037 tors. eta vs tors. theta energy: -174.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2339.807939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.807939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.807939 (E_RNA) where: Base-Base interactions energy: -1575.338 where: short stacking energy: -684.959 Base-Backbone interact. energy: -3.569 local terms energy: -760.900306 where: bonds (distance) C4'-P energy: -164.764 bonds (distance) P-C4' energy: -161.767 flat angles C4'-P-C4' energy: -184.384 flat angles P-C4'-P energy: -103.371 tors. eta vs tors. theta energy: -146.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -2064.420560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.420560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.420560 (E_RNA) where: Base-Base interactions energy: -1387.197 where: short stacking energy: -623.134 Base-Backbone interact. energy: -3.780 local terms energy: -673.443418 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -145.789 flat angles C4'-P-C4' energy: -166.180 flat angles P-C4'-P energy: -91.877 tors. eta vs tors. theta energy: -126.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1708.597866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.597866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.597866 (E_RNA) where: Base-Base interactions energy: -1120.542 where: short stacking energy: -527.064 Base-Backbone interact. energy: 0.589 local terms energy: -588.644585 where: bonds (distance) C4'-P energy: -137.148 bonds (distance) P-C4' energy: -157.431 flat angles C4'-P-C4' energy: -116.926 flat angles P-C4'-P energy: -96.846 tors. eta vs tors. theta energy: -80.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -1389.114039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.114039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.114039 (E_RNA) where: Base-Base interactions energy: -853.742 where: short stacking energy: -398.707 Base-Backbone interact. energy: 4.734 local terms energy: -540.106341 where: bonds (distance) C4'-P energy: -135.982 bonds (distance) P-C4' energy: -146.204 flat angles C4'-P-C4' energy: -128.079 flat angles P-C4'-P energy: -91.665 tors. eta vs tors. theta energy: -38.176 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: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3190.904837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.904837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.904837 (E_RNA) where: Base-Base interactions energy: -2223.767 where: short stacking energy: -960.210 Base-Backbone interact. energy: -0.788 local terms energy: -966.349476 where: bonds (distance) C4'-P energy: -189.593 bonds (distance) P-C4' energy: -187.947 flat angles C4'-P-C4' energy: -206.567 flat angles P-C4'-P energy: -137.352 tors. eta vs tors. theta energy: -244.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -3142.597247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.597247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.597247 (E_RNA) where: Base-Base interactions energy: -2163.973 where: short stacking energy: -938.415 Base-Backbone interact. energy: -4.606 local terms energy: -974.017558 where: bonds (distance) C4'-P energy: -182.296 bonds (distance) P-C4' energy: -178.544 flat angles C4'-P-C4' energy: -218.625 flat angles P-C4'-P energy: -135.475 tors. eta vs tors. theta energy: -259.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -3007.659905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.659905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.659905 (E_RNA) where: Base-Base interactions energy: -2100.765 where: short stacking energy: -911.431 Base-Backbone interact. energy: -4.249 local terms energy: -902.645800 where: bonds (distance) C4'-P energy: -167.125 bonds (distance) P-C4' energy: -175.443 flat angles C4'-P-C4' energy: -195.817 flat angles P-C4'-P energy: -116.755 tors. eta vs tors. theta energy: -247.505 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: 121 Temperature: 1.050000 Total energy: -2904.082585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.082585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.082585 (E_RNA) where: Base-Base interactions energy: -2062.184 where: short stacking energy: -839.772 Base-Backbone interact. energy: 2.669 local terms energy: -844.567634 where: bonds (distance) C4'-P energy: -162.437 bonds (distance) P-C4' energy: -162.695 flat angles C4'-P-C4' energy: -196.600 flat angles P-C4'-P energy: -120.234 tors. eta vs tors. theta energy: -202.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2733.413642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.413642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.413642 (E_RNA) where: Base-Base interactions energy: -1874.029 where: short stacking energy: -839.686 Base-Backbone interact. energy: -5.585 local terms energy: -853.799242 where: bonds (distance) C4'-P energy: -174.026 bonds (distance) P-C4' energy: -159.782 flat angles C4'-P-C4' energy: -187.468 flat angles P-C4'-P energy: -120.688 tors. eta vs tors. theta energy: -211.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2513.646694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.646694 (E_RNA) where: Base-Base interactions energy: -1717.195 where: short stacking energy: -771.044 Base-Backbone interact. energy: 0.386 local terms energy: -796.837524 where: bonds (distance) C4'-P energy: -133.416 bonds (distance) P-C4' energy: -170.755 flat angles C4'-P-C4' energy: -182.165 flat angles P-C4'-P energy: -122.909 tors. eta vs tors. theta energy: -187.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2338.867468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.867468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.867468 (E_RNA) where: Base-Base interactions energy: -1604.453 where: short stacking energy: -708.799 Base-Backbone interact. energy: -1.471 local terms energy: -732.943766 where: bonds (distance) C4'-P energy: -142.522 bonds (distance) P-C4' energy: -157.826 flat angles C4'-P-C4' energy: -179.990 flat angles P-C4'-P energy: -101.753 tors. eta vs tors. theta energy: -150.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -2130.946154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2130.946154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2130.946154 (E_RNA) where: Base-Base interactions energy: -1428.466 where: short stacking energy: -642.145 Base-Backbone interact. energy: -0.914 local terms energy: -701.565453 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -153.162 flat angles C4'-P-C4' energy: -166.990 flat angles P-C4'-P energy: -101.440 tors. eta vs tors. theta energy: -145.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1752.203900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.203900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.203900 (E_RNA) where: Base-Base interactions energy: -1124.430 where: short stacking energy: -521.447 Base-Backbone interact. energy: -3.520 local terms energy: -624.253713 where: bonds (distance) C4'-P energy: -149.992 bonds (distance) P-C4' energy: -135.541 flat angles C4'-P-C4' energy: -146.563 flat angles P-C4'-P energy: -93.345 tors. eta vs tors. theta energy: -98.813 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: 9 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -1370.463264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.463264 (E_RNA) where: Base-Base interactions energy: -859.275 where: short stacking energy: -408.137 Base-Backbone interact. energy: 7.743 local terms energy: -518.930690 where: bonds (distance) C4'-P energy: -147.956 bonds (distance) P-C4' energy: -131.775 flat angles C4'-P-C4' energy: -132.262 flat angles P-C4'-P energy: -68.890 tors. eta vs tors. theta energy: -38.048 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: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3208.731074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.731074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.731074 (E_RNA) where: Base-Base interactions energy: -2220.160 where: short stacking energy: -956.622 Base-Backbone interact. energy: -6.828 local terms energy: -981.743149 where: bonds (distance) C4'-P energy: -189.628 bonds (distance) P-C4' energy: -192.393 flat angles C4'-P-C4' energy: -207.227 flat angles P-C4'-P energy: -138.821 tors. eta vs tors. theta energy: -253.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -3142.536101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.536101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.536101 (E_RNA) where: Base-Base interactions energy: -2207.050 where: short stacking energy: -960.358 Base-Backbone interact. energy: -3.528 local terms energy: -931.957944 where: bonds (distance) C4'-P energy: -174.999 bonds (distance) P-C4' energy: -176.696 flat angles C4'-P-C4' energy: -204.015 flat angles P-C4'-P energy: -130.989 tors. eta vs tors. theta energy: -245.259 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: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -3008.423048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.423048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.423048 (E_RNA) where: Base-Base interactions energy: -2103.831 where: short stacking energy: -874.031 Base-Backbone interact. energy: -0.137 local terms energy: -904.454760 where: bonds (distance) C4'-P energy: -157.965 bonds (distance) P-C4' energy: -194.047 flat angles C4'-P-C4' energy: -188.094 flat angles P-C4'-P energy: -122.701 tors. eta vs tors. theta energy: -241.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2942.238246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.238246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.238246 (E_RNA) where: Base-Base interactions energy: -2078.244 where: short stacking energy: -857.912 Base-Backbone interact. energy: -1.156 local terms energy: -862.837919 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -174.002 flat angles C4'-P-C4' energy: -182.356 flat angles P-C4'-P energy: -132.899 tors. eta vs tors. theta energy: -214.340 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: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2672.315868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.315868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.315868 (E_RNA) where: Base-Base interactions energy: -1845.412 where: short stacking energy: -795.134 Base-Backbone interact. energy: 2.324 local terms energy: -829.228071 where: bonds (distance) C4'-P energy: -152.665 bonds (distance) P-C4' energy: -172.650 flat angles C4'-P-C4' energy: -180.204 flat angles P-C4'-P energy: -115.849 tors. eta vs tors. theta energy: -207.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2482.791816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.791816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.791816 (E_RNA) where: Base-Base interactions energy: -1702.366 where: short stacking energy: -745.554 Base-Backbone interact. energy: -4.536 local terms energy: -775.889260 where: bonds (distance) C4'-P energy: -146.541 bonds (distance) P-C4' energy: -167.860 flat angles C4'-P-C4' energy: -171.068 flat angles P-C4'-P energy: -100.552 tors. eta vs tors. theta energy: -189.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2333.349782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.349782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.349782 (E_RNA) where: Base-Base interactions energy: -1624.355 where: short stacking energy: -689.205 Base-Backbone interact. energy: -3.186 local terms energy: -705.809047 where: bonds (distance) C4'-P energy: -151.464 bonds (distance) P-C4' energy: -139.842 flat angles C4'-P-C4' energy: -161.857 flat angles P-C4'-P energy: -106.468 tors. eta vs tors. theta energy: -146.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -2062.839437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.839437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.839437 (E_RNA) where: Base-Base interactions energy: -1352.680 where: short stacking energy: -624.191 Base-Backbone interact. energy: 3.216 local terms energy: -713.376015 where: bonds (distance) C4'-P energy: -156.427 bonds (distance) P-C4' energy: -168.912 flat angles C4'-P-C4' energy: -169.908 flat angles P-C4'-P energy: -92.518 tors. eta vs tors. theta energy: -125.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1677.291892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.291892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.291892 (E_RNA) where: Base-Base interactions energy: -1037.615 where: short stacking energy: -529.760 Base-Backbone interact. energy: -0.991 local terms energy: -638.685220 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -151.137 flat angles C4'-P-C4' energy: -143.664 flat angles P-C4'-P energy: -85.011 tors. eta vs tors. theta energy: -101.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -1439.552746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.552746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.552746 (E_RNA) where: Base-Base interactions energy: -881.634 where: short stacking energy: -398.511 Base-Backbone interact. energy: -4.508 local terms energy: -553.410867 where: bonds (distance) C4'-P energy: -159.691 bonds (distance) P-C4' energy: -137.758 flat angles C4'-P-C4' energy: -119.937 flat angles P-C4'-P energy: -91.311 tors. eta vs tors. theta energy: -44.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3219.235874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.235874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.235874 (E_RNA) where: Base-Base interactions energy: -2258.383 where: short stacking energy: -969.093 Base-Backbone interact. energy: -3.855 local terms energy: -956.998295 where: bonds (distance) C4'-P energy: -185.692 bonds (distance) P-C4' energy: -167.114 flat angles C4'-P-C4' energy: -211.865 flat angles P-C4'-P energy: -138.684 tors. eta vs tors. theta energy: -253.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -3122.751978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.751978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.751978 (E_RNA) where: Base-Base interactions energy: -2196.700 where: short stacking energy: -931.113 Base-Backbone interact. energy: -3.361 local terms energy: -922.691346 where: bonds (distance) C4'-P energy: -170.889 bonds (distance) P-C4' energy: -190.005 flat angles C4'-P-C4' energy: -193.026 flat angles P-C4'-P energy: -129.713 tors. eta vs tors. theta energy: -239.058 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: 6 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -3028.019119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.019119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.019119 (E_RNA) where: Base-Base interactions energy: -2139.052 where: short stacking energy: -934.423 Base-Backbone interact. energy: -3.307 local terms energy: -885.659970 where: bonds (distance) C4'-P energy: -169.755 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -180.677 flat angles P-C4'-P energy: -127.961 tors. eta vs tors. theta energy: -240.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2953.261412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.261412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.261412 (E_RNA) where: Base-Base interactions energy: -2081.202 where: short stacking energy: -857.372 Base-Backbone interact. energy: -4.495 local terms energy: -867.564257 where: bonds (distance) C4'-P energy: -159.724 bonds (distance) P-C4' energy: -168.261 flat angles C4'-P-C4' energy: -212.390 flat angles P-C4'-P energy: -122.100 tors. eta vs tors. theta energy: -205.088 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: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2679.900390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.900390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.900390 (E_RNA) where: Base-Base interactions energy: -1867.149 where: short stacking energy: -813.436 Base-Backbone interact. energy: 0.154 local terms energy: -812.905534 where: bonds (distance) C4'-P energy: -152.745 bonds (distance) P-C4' energy: -149.601 flat angles C4'-P-C4' energy: -186.237 flat angles P-C4'-P energy: -117.133 tors. eta vs tors. theta energy: -207.190 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: 2 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2487.913159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.913159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.913159 (E_RNA) where: Base-Base interactions energy: -1676.846 where: short stacking energy: -764.558 Base-Backbone interact. energy: -1.740 local terms energy: -809.326764 where: bonds (distance) C4'-P energy: -137.619 bonds (distance) P-C4' energy: -178.093 flat angles C4'-P-C4' energy: -189.174 flat angles P-C4'-P energy: -113.230 tors. eta vs tors. theta energy: -191.211 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: 10 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2407.344872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.344872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.344872 (E_RNA) where: Base-Base interactions energy: -1691.989 where: short stacking energy: -693.584 Base-Backbone interact. energy: -3.503 local terms energy: -711.852638 where: bonds (distance) C4'-P energy: -147.355 bonds (distance) P-C4' energy: -138.556 flat angles C4'-P-C4' energy: -183.510 flat angles P-C4'-P energy: -98.640 tors. eta vs tors. theta energy: -143.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1995.995221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.995221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.995221 (E_RNA) where: Base-Base interactions energy: -1343.924 where: short stacking energy: -567.434 Base-Backbone interact. energy: -2.773 local terms energy: -649.297902 where: bonds (distance) C4'-P energy: -140.308 bonds (distance) P-C4' energy: -141.198 flat angles C4'-P-C4' energy: -160.126 flat angles P-C4'-P energy: -92.021 tors. eta vs tors. theta energy: -115.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1737.426549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.426549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.426549 (E_RNA) where: Base-Base interactions energy: -1092.014 where: short stacking energy: -493.623 Base-Backbone interact. energy: -2.809 local terms energy: -642.603624 where: bonds (distance) C4'-P energy: -146.461 bonds (distance) P-C4' energy: -164.058 flat angles C4'-P-C4' energy: -154.472 flat angles P-C4'-P energy: -95.563 tors. eta vs tors. theta energy: -82.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -1467.885078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.885078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.885078 (E_RNA) where: Base-Base interactions energy: -924.636 where: short stacking energy: -451.472 Base-Backbone interact. energy: -4.353 local terms energy: -538.895948 where: bonds (distance) C4'-P energy: -132.553 bonds (distance) P-C4' energy: -142.437 flat angles C4'-P-C4' energy: -118.624 flat angles P-C4'-P energy: -88.775 tors. eta vs tors. theta energy: -56.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3202.305712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.305712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.305712 (E_RNA) where: Base-Base interactions energy: -2229.916 where: short stacking energy: -953.679 Base-Backbone interact. energy: -5.142 local terms energy: -967.248202 where: bonds (distance) C4'-P energy: -176.044 bonds (distance) P-C4' energy: -184.176 flat angles C4'-P-C4' energy: -211.397 flat angles P-C4'-P energy: -141.195 tors. eta vs tors. theta energy: -254.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -3113.129892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.129892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.129892 (E_RNA) where: Base-Base interactions energy: -2181.799 where: short stacking energy: -946.532 Base-Backbone interact. energy: -0.801 local terms energy: -930.529580 where: bonds (distance) C4'-P energy: -172.230 bonds (distance) P-C4' energy: -180.948 flat angles C4'-P-C4' energy: -200.172 flat angles P-C4'-P energy: -124.306 tors. eta vs tors. theta energy: -252.873 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: 6 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -3037.770732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.770732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.770732 (E_RNA) where: Base-Base interactions energy: -2122.879 where: short stacking energy: -908.936 Base-Backbone interact. energy: 3.316 local terms energy: -918.207485 where: bonds (distance) C4'-P energy: -160.497 bonds (distance) P-C4' energy: -174.656 flat angles C4'-P-C4' energy: -204.039 flat angles P-C4'-P energy: -134.951 tors. eta vs tors. theta energy: -244.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2958.521606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.521606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.521606 (E_RNA) where: Base-Base interactions energy: -2096.731 where: short stacking energy: -869.634 Base-Backbone interact. energy: -0.015 local terms energy: -861.776069 where: bonds (distance) C4'-P energy: -153.489 bonds (distance) P-C4' energy: -161.264 flat angles C4'-P-C4' energy: -189.524 flat angles P-C4'-P energy: -137.701 tors. eta vs tors. theta energy: -219.797 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: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2659.197496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.197496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.197496 (E_RNA) where: Base-Base interactions energy: -1839.783 where: short stacking energy: -793.814 Base-Backbone interact. energy: 3.013 local terms energy: -822.427580 where: bonds (distance) C4'-P energy: -155.720 bonds (distance) P-C4' energy: -164.081 flat angles C4'-P-C4' energy: -165.886 flat angles P-C4'-P energy: -130.733 tors. eta vs tors. theta energy: -206.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2545.285198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.285198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.285198 (E_RNA) where: Base-Base interactions energy: -1769.176 where: short stacking energy: -764.458 Base-Backbone interact. energy: -2.300 local terms energy: -773.808733 where: bonds (distance) C4'-P energy: -143.409 bonds (distance) P-C4' energy: -153.148 flat angles C4'-P-C4' energy: -186.062 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -190.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2375.606159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.606159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.606159 (E_RNA) where: Base-Base interactions energy: -1643.147 where: short stacking energy: -685.333 Base-Backbone interact. energy: -1.137 local terms energy: -731.321720 where: bonds (distance) C4'-P energy: -143.636 bonds (distance) P-C4' energy: -152.070 flat angles C4'-P-C4' energy: -177.162 flat angles P-C4'-P energy: -111.546 tors. eta vs tors. theta energy: -146.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1999.608937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.608937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.608937 (E_RNA) where: Base-Base interactions energy: -1322.843 where: short stacking energy: -584.269 Base-Backbone interact. energy: 1.672 local terms energy: -678.438047 where: bonds (distance) C4'-P energy: -153.065 bonds (distance) P-C4' energy: -147.294 flat angles C4'-P-C4' energy: -169.009 flat angles P-C4'-P energy: -95.963 tors. eta vs tors. theta energy: -113.107 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: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1717.710541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.710541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.710541 (E_RNA) where: Base-Base interactions energy: -1087.347 where: short stacking energy: -506.695 Base-Backbone interact. energy: 1.363 local terms energy: -631.726861 where: bonds (distance) C4'-P energy: -134.124 bonds (distance) P-C4' energy: -163.354 flat angles C4'-P-C4' energy: -148.325 flat angles P-C4'-P energy: -101.503 tors. eta vs tors. theta energy: -84.420 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: 9 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -1473.846623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.846623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.846623 (E_RNA) where: Base-Base interactions energy: -926.163 where: short stacking energy: -426.605 Base-Backbone interact. energy: 1.985 local terms energy: -549.668422 where: bonds (distance) C4'-P energy: -138.858 bonds (distance) P-C4' energy: -151.230 flat angles C4'-P-C4' energy: -126.273 flat angles P-C4'-P energy: -88.162 tors. eta vs tors. theta energy: -45.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3232.657194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.657194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.657194 (E_RNA) where: Base-Base interactions energy: -2250.966 where: short stacking energy: -990.574 Base-Backbone interact. energy: -2.337 local terms energy: -979.354661 where: bonds (distance) C4'-P energy: -177.874 bonds (distance) P-C4' energy: -191.647 flat angles C4'-P-C4' energy: -207.100 flat angles P-C4'-P energy: -145.076 tors. eta vs tors. theta energy: -257.658 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: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -3140.320119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.320119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.320119 (E_RNA) where: Base-Base interactions energy: -2177.276 where: short stacking energy: -941.494 Base-Backbone interact. energy: -6.623 local terms energy: -956.421323 where: bonds (distance) C4'-P energy: -178.386 bonds (distance) P-C4' energy: -182.019 flat angles C4'-P-C4' energy: -209.358 flat angles P-C4'-P energy: -135.111 tors. eta vs tors. theta energy: -251.547 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: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -3045.105704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.105704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.105704 (E_RNA) where: Base-Base interactions energy: -2128.370 where: short stacking energy: -896.421 Base-Backbone interact. energy: -1.434 local terms energy: -915.301346 where: bonds (distance) C4'-P energy: -174.563 bonds (distance) P-C4' energy: -167.028 flat angles C4'-P-C4' energy: -197.677 flat angles P-C4'-P energy: -139.523 tors. eta vs tors. theta energy: -236.510 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: 5 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2888.876278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.876278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.876278 (E_RNA) where: Base-Base interactions energy: -2042.324 where: short stacking energy: -854.795 Base-Backbone interact. energy: 4.767 local terms energy: -851.319149 where: bonds (distance) C4'-P energy: -173.251 bonds (distance) P-C4' energy: -169.817 flat angles C4'-P-C4' energy: -182.854 flat angles P-C4'-P energy: -114.706 tors. eta vs tors. theta energy: -210.693 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: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2659.558382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.558382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.558382 (E_RNA) where: Base-Base interactions energy: -1836.503 where: short stacking energy: -795.395 Base-Backbone interact. energy: 2.042 local terms energy: -825.098135 where: bonds (distance) C4'-P energy: -153.586 bonds (distance) P-C4' energy: -147.144 flat angles C4'-P-C4' energy: -188.798 flat angles P-C4'-P energy: -123.469 tors. eta vs tors. theta energy: -212.103 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: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2523.056682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.056682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.056682 (E_RNA) where: Base-Base interactions energy: -1730.055 where: short stacking energy: -757.985 Base-Backbone interact. energy: -1.850 local terms energy: -791.152026 where: bonds (distance) C4'-P energy: -171.880 bonds (distance) P-C4' energy: -140.954 flat angles C4'-P-C4' energy: -185.121 flat angles P-C4'-P energy: -106.957 tors. eta vs tors. theta energy: -186.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2458.015672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.015672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.015672 (E_RNA) where: Base-Base interactions energy: -1700.087 where: short stacking energy: -745.344 Base-Backbone interact. energy: -5.403 local terms energy: -752.525396 where: bonds (distance) C4'-P energy: -152.248 bonds (distance) P-C4' energy: -135.663 flat angles C4'-P-C4' energy: -178.055 flat angles P-C4'-P energy: -107.936 tors. eta vs tors. theta energy: -178.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -2003.709460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.709460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.709460 (E_RNA) where: Base-Base interactions energy: -1308.737 where: short stacking energy: -616.063 Base-Backbone interact. energy: -1.800 local terms energy: -693.172417 where: bonds (distance) C4'-P energy: -134.109 bonds (distance) P-C4' energy: -151.990 flat angles C4'-P-C4' energy: -179.788 flat angles P-C4'-P energy: -102.314 tors. eta vs tors. theta energy: -124.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1726.788999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.788999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.788999 (E_RNA) where: Base-Base interactions energy: -1086.222 where: short stacking energy: -479.221 Base-Backbone interact. energy: 0.853 local terms energy: -641.419601 where: bonds (distance) C4'-P energy: -145.364 bonds (distance) P-C4' energy: -156.942 flat angles C4'-P-C4' energy: -152.073 flat angles P-C4'-P energy: -112.962 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: 9 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -1514.564759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.564759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.564759 (E_RNA) where: Base-Base interactions energy: -957.885 where: short stacking energy: -441.424 Base-Backbone interact. energy: -0.811 local terms energy: -555.868973 where: bonds (distance) C4'-P energy: -132.891 bonds (distance) P-C4' energy: -143.138 flat angles C4'-P-C4' energy: -133.836 flat angles P-C4'-P energy: -87.903 tors. eta vs tors. theta energy: -58.099 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: 1, replica: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3191.117504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.117504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.117504 (E_RNA) where: Base-Base interactions energy: -2261.060 where: short stacking energy: -956.823 Base-Backbone interact. energy: -3.674 local terms energy: -926.383211 where: bonds (distance) C4'-P energy: -167.838 bonds (distance) P-C4' energy: -184.802 flat angles C4'-P-C4' energy: -204.564 flat angles P-C4'-P energy: -138.901 tors. eta vs tors. theta energy: -230.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -3131.364378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.364378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.364378 (E_RNA) where: Base-Base interactions energy: -2185.318 where: short stacking energy: -949.674 Base-Backbone interact. energy: -4.523 local terms energy: -941.523354 where: bonds (distance) C4'-P energy: -165.267 bonds (distance) P-C4' energy: -188.058 flat angles C4'-P-C4' energy: -197.366 flat angles P-C4'-P energy: -133.131 tors. eta vs tors. theta energy: -257.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -3059.375222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.375222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.375222 (E_RNA) where: Base-Base interactions energy: -2121.398 where: short stacking energy: -916.543 Base-Backbone interact. energy: -1.762 local terms energy: -936.215928 where: bonds (distance) C4'-P energy: -173.571 bonds (distance) P-C4' energy: -176.045 flat angles C4'-P-C4' energy: -197.522 flat angles P-C4'-P energy: -130.796 tors. eta vs tors. theta energy: -258.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2890.608874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.608874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.608874 (E_RNA) where: Base-Base interactions energy: -2021.870 where: short stacking energy: -854.631 Base-Backbone interact. energy: -1.838 local terms energy: -866.900900 where: bonds (distance) C4'-P energy: -156.311 bonds (distance) P-C4' energy: -174.475 flat angles C4'-P-C4' energy: -202.074 flat angles P-C4'-P energy: -123.952 tors. eta vs tors. theta energy: -210.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2695.101346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.101346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.101346 (E_RNA) where: Base-Base interactions energy: -1819.220 where: short stacking energy: -811.043 Base-Backbone interact. energy: -2.289 local terms energy: -873.592232 where: bonds (distance) C4'-P energy: -157.100 bonds (distance) P-C4' energy: -170.282 flat angles C4'-P-C4' energy: -196.306 flat angles P-C4'-P energy: -132.291 tors. eta vs tors. theta energy: -217.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2527.941756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2527.941756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2527.941756 (E_RNA) where: Base-Base interactions energy: -1727.687 where: short stacking energy: -737.767 Base-Backbone interact. energy: 4.444 local terms energy: -804.698845 where: bonds (distance) C4'-P energy: -158.693 bonds (distance) P-C4' energy: -151.253 flat angles C4'-P-C4' energy: -193.446 flat angles P-C4'-P energy: -124.240 tors. eta vs tors. theta energy: -177.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -2419.720441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.720441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.720441 (E_RNA) where: Base-Base interactions energy: -1685.933 where: short stacking energy: -675.975 Base-Backbone interact. energy: -3.134 local terms energy: -730.653223 where: bonds (distance) C4'-P energy: -150.839 bonds (distance) P-C4' energy: -142.179 flat angles C4'-P-C4' energy: -165.998 flat angles P-C4'-P energy: -104.030 tors. eta vs tors. theta energy: -167.607 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: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -2032.472196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.472196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.472196 (E_RNA) where: Base-Base interactions energy: -1324.644 where: short stacking energy: -582.352 Base-Backbone interact. energy: -3.102 local terms energy: -704.726895 where: bonds (distance) C4'-P energy: -159.782 bonds (distance) P-C4' energy: -154.019 flat angles C4'-P-C4' energy: -167.422 flat angles P-C4'-P energy: -112.041 tors. eta vs tors. theta energy: -111.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1718.578963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.578963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.578963 (E_RNA) where: Base-Base interactions energy: -1111.539 where: short stacking energy: -522.622 Base-Backbone interact. energy: 5.753 local terms energy: -612.793000 where: bonds (distance) C4'-P energy: -160.327 bonds (distance) P-C4' energy: -142.786 flat angles C4'-P-C4' energy: -150.070 flat angles P-C4'-P energy: -68.335 tors. eta vs tors. theta energy: -91.275 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -1521.712843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.712843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.712843 (E_RNA) where: Base-Base interactions energy: -961.656 where: short stacking energy: -471.552 Base-Backbone interact. energy: 8.478 local terms energy: -568.535262 where: bonds (distance) C4'-P energy: -138.551 bonds (distance) P-C4' energy: -145.530 flat angles C4'-P-C4' energy: -122.443 flat angles P-C4'-P energy: -94.726 tors. eta vs tors. theta energy: -67.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3185.149337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.149337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.149337 (E_RNA) where: Base-Base interactions energy: -2215.593 where: short stacking energy: -911.112 Base-Backbone interact. energy: -6.818 local terms energy: -962.738782 where: bonds (distance) C4'-P energy: -181.104 bonds (distance) P-C4' energy: -195.997 flat angles C4'-P-C4' energy: -201.318 flat angles P-C4'-P energy: -137.801 tors. eta vs tors. theta energy: -246.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -3180.230983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.230983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.230983 (E_RNA) where: Base-Base interactions energy: -2213.527 where: short stacking energy: -958.523 Base-Backbone interact. energy: -2.662 local terms energy: -964.041664 where: bonds (distance) C4'-P energy: -177.489 bonds (distance) P-C4' energy: -193.609 flat angles C4'-P-C4' energy: -207.420 flat angles P-C4'-P energy: -133.422 tors. eta vs tors. theta energy: -252.102 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: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -3025.910686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.910686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.910686 (E_RNA) where: Base-Base interactions energy: -2118.812 where: short stacking energy: -933.890 Base-Backbone interact. energy: -3.930 local terms energy: -903.168728 where: bonds (distance) C4'-P energy: -152.131 bonds (distance) P-C4' energy: -187.767 flat angles C4'-P-C4' energy: -208.831 flat angles P-C4'-P energy: -119.932 tors. eta vs tors. theta energy: -234.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2907.025530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.025530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.025530 (E_RNA) where: Base-Base interactions energy: -2046.544 where: short stacking energy: -876.314 Base-Backbone interact. energy: -1.442 local terms energy: -859.039330 where: bonds (distance) C4'-P energy: -167.785 bonds (distance) P-C4' energy: -139.911 flat angles C4'-P-C4' energy: -193.265 flat angles P-C4'-P energy: -137.464 tors. eta vs tors. theta energy: -220.614 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: 1 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2682.422897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.422897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.422897 (E_RNA) where: Base-Base interactions energy: -1860.076 where: short stacking energy: -844.459 Base-Backbone interact. energy: 0.286 local terms energy: -822.632255 where: bonds (distance) C4'-P energy: -164.324 bonds (distance) P-C4' energy: -158.899 flat angles C4'-P-C4' energy: -180.339 flat angles P-C4'-P energy: -105.090 tors. eta vs tors. theta energy: -213.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2531.321653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.321653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.321653 (E_RNA) where: Base-Base interactions energy: -1776.872 where: short stacking energy: -746.595 Base-Backbone interact. energy: 4.300 local terms energy: -758.749549 where: bonds (distance) C4'-P energy: -141.620 bonds (distance) P-C4' energy: -153.418 flat angles C4'-P-C4' energy: -166.413 flat angles P-C4'-P energy: -108.465 tors. eta vs tors. theta energy: -188.835 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: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -2416.485090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.485090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.485090 (E_RNA) where: Base-Base interactions energy: -1690.906 where: short stacking energy: -726.655 Base-Backbone interact. energy: -2.069 local terms energy: -723.510657 where: bonds (distance) C4'-P energy: -132.705 bonds (distance) P-C4' energy: -169.033 flat angles C4'-P-C4' energy: -172.113 flat angles P-C4'-P energy: -91.901 tors. eta vs tors. theta energy: -157.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -2015.527853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.527853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.527853 (E_RNA) where: Base-Base interactions energy: -1331.799 where: short stacking energy: -591.527 Base-Backbone interact. energy: 5.121 local terms energy: -688.850107 where: bonds (distance) C4'-P energy: -159.553 bonds (distance) P-C4' energy: -159.938 flat angles C4'-P-C4' energy: -149.847 flat angles P-C4'-P energy: -115.746 tors. eta vs tors. theta energy: -103.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1710.515280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.515280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.515280 (E_RNA) where: Base-Base interactions energy: -1089.543 where: short stacking energy: -510.950 Base-Backbone interact. energy: 4.292 local terms energy: -625.264073 where: bonds (distance) C4'-P energy: -141.797 bonds (distance) P-C4' energy: -149.135 flat angles C4'-P-C4' energy: -147.069 flat angles P-C4'-P energy: -102.505 tors. eta vs tors. theta energy: -84.757 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: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -1493.175303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.175303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.175303 (E_RNA) where: Base-Base interactions energy: -979.341 where: short stacking energy: -461.504 Base-Backbone interact. energy: 1.614 local terms energy: -515.449040 where: bonds (distance) C4'-P energy: -101.950 bonds (distance) P-C4' energy: -141.675 flat angles C4'-P-C4' energy: -139.862 flat angles P-C4'-P energy: -74.756 tors. eta vs tors. theta energy: -57.206 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: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3260.632887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.632887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.632887 (E_RNA) where: Base-Base interactions energy: -2308.078 where: short stacking energy: -968.344 Base-Backbone interact. energy: 6.194 local terms energy: -958.748810 where: bonds (distance) C4'-P energy: -168.212 bonds (distance) P-C4' energy: -200.017 flat angles C4'-P-C4' energy: -207.787 flat angles P-C4'-P energy: -132.827 tors. eta vs tors. theta energy: -249.906 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: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -3166.501293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.501293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.501293 (E_RNA) where: Base-Base interactions energy: -2228.884 where: short stacking energy: -931.174 Base-Backbone interact. energy: -3.368 local terms energy: -934.249166 where: bonds (distance) C4'-P energy: -180.460 bonds (distance) P-C4' energy: -194.405 flat angles C4'-P-C4' energy: -195.917 flat angles P-C4'-P energy: -119.884 tors. eta vs tors. theta energy: -243.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -3027.333626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.333626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.333626 (E_RNA) where: Base-Base interactions energy: -2098.333 where: short stacking energy: -868.675 Base-Backbone interact. energy: -7.206 local terms energy: -921.794130 where: bonds (distance) C4'-P energy: -160.158 bonds (distance) P-C4' energy: -183.711 flat angles C4'-P-C4' energy: -203.793 flat angles P-C4'-P energy: -131.327 tors. eta vs tors. theta energy: -242.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2941.585775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.585775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.585775 (E_RNA) where: Base-Base interactions energy: -2067.700 where: short stacking energy: -862.767 Base-Backbone interact. energy: -5.892 local terms energy: -867.993859 where: bonds (distance) C4'-P energy: -169.545 bonds (distance) P-C4' energy: -169.596 flat angles C4'-P-C4' energy: -180.608 flat angles P-C4'-P energy: -127.678 tors. eta vs tors. theta energy: -220.567 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: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2699.148942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.148942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.148942 (E_RNA) where: Base-Base interactions energy: -1872.256 where: short stacking energy: -825.646 Base-Backbone interact. energy: -0.019 local terms energy: -826.873431 where: bonds (distance) C4'-P energy: -144.749 bonds (distance) P-C4' energy: -161.390 flat angles C4'-P-C4' energy: -181.706 flat angles P-C4'-P energy: -122.502 tors. eta vs tors. theta energy: -216.526 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: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2486.823716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.823716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.823716 (E_RNA) where: Base-Base interactions energy: -1698.308 where: short stacking energy: -741.290 Base-Backbone interact. energy: -1.121 local terms energy: -787.394902 where: bonds (distance) C4'-P energy: -165.334 bonds (distance) P-C4' energy: -163.047 flat angles C4'-P-C4' energy: -177.296 flat angles P-C4'-P energy: -103.475 tors. eta vs tors. theta energy: -178.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -2405.651912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.651912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.651912 (E_RNA) where: Base-Base interactions energy: -1668.389 where: short stacking energy: -715.394 Base-Backbone interact. energy: -2.237 local terms energy: -735.025532 where: bonds (distance) C4'-P energy: -157.125 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -166.638 flat angles P-C4'-P energy: -107.951 tors. eta vs tors. theta energy: -151.490 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: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -2122.572978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2122.572978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2122.572978 (E_RNA) where: Base-Base interactions energy: -1425.182 where: short stacking energy: -667.365 Base-Backbone interact. energy: -1.073 local terms energy: -696.317916 where: bonds (distance) C4'-P energy: -149.790 bonds (distance) P-C4' energy: -135.895 flat angles C4'-P-C4' energy: -150.225 flat angles P-C4'-P energy: -120.679 tors. eta vs tors. theta energy: -139.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1738.958917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.958917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.958917 (E_RNA) where: Base-Base interactions energy: -1154.398 where: short stacking energy: -518.330 Base-Backbone interact. energy: 3.014 local terms energy: -587.574846 where: bonds (distance) C4'-P energy: -126.240 bonds (distance) P-C4' energy: -135.315 flat angles C4'-P-C4' energy: -153.370 flat angles P-C4'-P energy: -84.771 tors. eta vs tors. theta energy: -87.880 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: 10, replica: 9 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -1470.075225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.075225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.075225 (E_RNA) where: Base-Base interactions energy: -955.325 where: short stacking energy: -411.224 Base-Backbone interact. energy: -1.188 local terms energy: -513.562168 where: bonds (distance) C4'-P energy: -122.209 bonds (distance) P-C4' energy: -157.654 flat angles C4'-P-C4' energy: -112.199 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: -40.333 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: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3248.411158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.411158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.411158 (E_RNA) where: Base-Base interactions energy: -2275.688 where: short stacking energy: -985.452 Base-Backbone interact. energy: -4.500 local terms energy: -968.222988 where: bonds (distance) C4'-P energy: -185.962 bonds (distance) P-C4' energy: -179.980 flat angles C4'-P-C4' energy: -203.599 flat angles P-C4'-P energy: -138.368 tors. eta vs tors. theta energy: -260.314 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -3158.129222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.129222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.129222 (E_RNA) where: Base-Base interactions energy: -2229.031 where: short stacking energy: -938.116 Base-Backbone interact. energy: 1.222 local terms energy: -930.320210 where: bonds (distance) C4'-P energy: -170.015 bonds (distance) P-C4' energy: -179.773 flat angles C4'-P-C4' energy: -209.927 flat angles P-C4'-P energy: -123.445 tors. eta vs tors. theta energy: -247.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -3024.455381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.455381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.455381 (E_RNA) where: Base-Base interactions energy: -2118.013 where: short stacking energy: -888.302 Base-Backbone interact. energy: -0.693 local terms energy: -905.748756 where: bonds (distance) C4'-P energy: -171.764 bonds (distance) P-C4' energy: -166.575 flat angles C4'-P-C4' energy: -196.863 flat angles P-C4'-P energy: -125.708 tors. eta vs tors. theta energy: -244.839 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: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2963.256272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.256272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.256272 (E_RNA) where: Base-Base interactions energy: -2102.628 where: short stacking energy: -884.715 Base-Backbone interact. energy: -2.808 local terms energy: -857.820214 where: bonds (distance) C4'-P energy: -171.419 bonds (distance) P-C4' energy: -153.771 flat angles C4'-P-C4' energy: -194.763 flat angles P-C4'-P energy: -111.963 tors. eta vs tors. theta energy: -225.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2765.263369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.263369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.263369 (E_RNA) where: Base-Base interactions energy: -1877.611 where: short stacking energy: -863.084 Base-Backbone interact. energy: -2.099 local terms energy: -885.552842 where: bonds (distance) C4'-P energy: -167.389 bonds (distance) P-C4' energy: -174.480 flat angles C4'-P-C4' energy: -190.246 flat angles P-C4'-P energy: -128.425 tors. eta vs tors. theta energy: -225.012 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: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2506.965318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.965318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.965318 (E_RNA) where: Base-Base interactions energy: -1729.605 where: short stacking energy: -747.259 Base-Backbone interact. energy: 0.561 local terms energy: -777.921508 where: bonds (distance) C4'-P energy: -155.054 bonds (distance) P-C4' energy: -151.071 flat angles C4'-P-C4' energy: -187.300 flat angles P-C4'-P energy: -108.315 tors. eta vs tors. theta energy: -176.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -2358.453304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.453304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.453304 (E_RNA) where: Base-Base interactions energy: -1615.028 where: short stacking energy: -686.894 Base-Backbone interact. energy: 1.982 local terms energy: -745.406769 where: bonds (distance) C4'-P energy: -148.258 bonds (distance) P-C4' energy: -166.117 flat angles C4'-P-C4' energy: -175.590 flat angles P-C4'-P energy: -112.093 tors. eta vs tors. theta energy: -143.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -2088.494471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.494471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.494471 (E_RNA) where: Base-Base interactions energy: -1397.241 where: short stacking energy: -629.857 Base-Backbone interact. energy: 0.263 local terms energy: -691.515998 where: bonds (distance) C4'-P energy: -145.117 bonds (distance) P-C4' energy: -141.050 flat angles C4'-P-C4' energy: -171.365 flat angles P-C4'-P energy: -95.506 tors. eta vs tors. theta energy: -138.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1724.289627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.289627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.289627 (E_RNA) where: Base-Base interactions energy: -1084.480 where: short stacking energy: -516.489 Base-Backbone interact. energy: -1.985 local terms energy: -637.824159 where: bonds (distance) C4'-P energy: -149.415 bonds (distance) P-C4' energy: -153.743 flat angles C4'-P-C4' energy: -145.904 flat angles P-C4'-P energy: -103.355 tors. eta vs tors. theta energy: -85.408 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: 9 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -1465.694128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.694128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.694128 (E_RNA) where: Base-Base interactions energy: -938.620 where: short stacking energy: -423.870 Base-Backbone interact. energy: -3.606 local terms energy: -523.467756 where: bonds (distance) C4'-P energy: -111.967 bonds (distance) P-C4' energy: -148.714 flat angles C4'-P-C4' energy: -139.389 flat angles P-C4'-P energy: -59.959 tors. eta vs tors. theta energy: -63.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3220.619236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.619236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.619236 (E_RNA) where: Base-Base interactions energy: -2278.971 where: short stacking energy: -972.849 Base-Backbone interact. energy: -2.596 local terms energy: -939.053013 where: bonds (distance) C4'-P energy: -167.603 bonds (distance) P-C4' energy: -193.521 flat angles C4'-P-C4' energy: -214.742 flat angles P-C4'-P energy: -120.927 tors. eta vs tors. theta energy: -242.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -3135.136485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.136485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.136485 (E_RNA) where: Base-Base interactions energy: -2190.314 where: short stacking energy: -907.577 Base-Backbone interact. energy: -3.782 local terms energy: -941.040386 where: bonds (distance) C4'-P energy: -188.958 bonds (distance) P-C4' energy: -187.087 flat angles C4'-P-C4' energy: -195.919 flat angles P-C4'-P energy: -122.290 tors. eta vs tors. theta energy: -246.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -3059.162912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.162912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.162912 (E_RNA) where: Base-Base interactions energy: -2157.207 where: short stacking energy: -938.456 Base-Backbone interact. energy: -6.241 local terms energy: -895.715614 where: bonds (distance) C4'-P energy: -146.405 bonds (distance) P-C4' energy: -165.361 flat angles C4'-P-C4' energy: -189.753 flat angles P-C4'-P energy: -129.458 tors. eta vs tors. theta energy: -264.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2914.969673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.969673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.969673 (E_RNA) where: Base-Base interactions energy: -2087.188 where: short stacking energy: -872.067 Base-Backbone interact. energy: 6.677 local terms energy: -834.458090 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -155.620 flat angles C4'-P-C4' energy: -202.943 flat angles P-C4'-P energy: -105.252 tors. eta vs tors. theta energy: -221.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2773.636416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.636416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.636416 (E_RNA) where: Base-Base interactions energy: -1910.184 where: short stacking energy: -848.528 Base-Backbone interact. energy: 1.117 local terms energy: -864.568597 where: bonds (distance) C4'-P energy: -152.452 bonds (distance) P-C4' energy: -168.507 flat angles C4'-P-C4' energy: -182.462 flat angles P-C4'-P energy: -148.212 tors. eta vs tors. theta energy: -212.936 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: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2501.372071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.372071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.372071 (E_RNA) where: Base-Base interactions energy: -1747.390 where: short stacking energy: -725.790 Base-Backbone interact. energy: 0.597 local terms energy: -754.579016 where: bonds (distance) C4'-P energy: -157.490 bonds (distance) P-C4' energy: -154.783 flat angles C4'-P-C4' energy: -171.097 flat angles P-C4'-P energy: -104.391 tors. eta vs tors. theta energy: -166.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -2340.441475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.441475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.441475 (E_RNA) where: Base-Base interactions energy: -1614.604 where: short stacking energy: -717.140 Base-Backbone interact. energy: 3.396 local terms energy: -729.233189 where: bonds (distance) C4'-P energy: -162.219 bonds (distance) P-C4' energy: -127.438 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -111.531 tors. eta vs tors. theta energy: -158.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -2142.511132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2142.511132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2142.511132 (E_RNA) where: Base-Base interactions energy: -1426.735 where: short stacking energy: -674.973 Base-Backbone interact. energy: -3.652 local terms energy: -712.123812 where: bonds (distance) C4'-P energy: -143.051 bonds (distance) P-C4' energy: -162.938 flat angles C4'-P-C4' energy: -168.127 flat angles P-C4'-P energy: -85.510 tors. eta vs tors. theta energy: -152.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1715.148656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.148656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.148656 (E_RNA) where: Base-Base interactions energy: -1078.888 where: short stacking energy: -509.407 Base-Backbone interact. energy: 2.227 local terms energy: -638.488140 where: bonds (distance) C4'-P energy: -153.715 bonds (distance) P-C4' energy: -154.538 flat angles C4'-P-C4' energy: -157.836 flat angles P-C4'-P energy: -80.633 tors. eta vs tors. theta energy: -91.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -1444.688818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.688818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.688818 (E_RNA) where: Base-Base interactions energy: -894.918 where: short stacking energy: -434.313 Base-Backbone interact. energy: 0.693 local terms energy: -550.463552 where: bonds (distance) C4'-P energy: -132.308 bonds (distance) P-C4' energy: -145.776 flat angles C4'-P-C4' energy: -149.438 flat angles P-C4'-P energy: -74.526 tors. eta vs tors. theta energy: -48.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3231.379218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.379218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.379218 (E_RNA) where: Base-Base interactions energy: -2287.061 where: short stacking energy: -965.568 Base-Backbone interact. energy: -1.586 local terms energy: -942.732510 where: bonds (distance) C4'-P energy: -192.283 bonds (distance) P-C4' energy: -187.600 flat angles C4'-P-C4' energy: -199.507 flat angles P-C4'-P energy: -114.180 tors. eta vs tors. theta energy: -249.163 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: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -3115.890737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.890737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.890737 (E_RNA) where: Base-Base interactions energy: -2181.893 where: short stacking energy: -893.966 Base-Backbone interact. energy: 5.784 local terms energy: -939.782199 where: bonds (distance) C4'-P energy: -180.596 bonds (distance) P-C4' energy: -192.113 flat angles C4'-P-C4' energy: -197.393 flat angles P-C4'-P energy: -133.178 tors. eta vs tors. theta energy: -236.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -3066.089138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.089138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.089138 (E_RNA) where: Base-Base interactions energy: -2148.563 where: short stacking energy: -899.096 Base-Backbone interact. energy: 1.653 local terms energy: -919.179640 where: bonds (distance) C4'-P energy: -168.390 bonds (distance) P-C4' energy: -176.960 flat angles C4'-P-C4' energy: -199.132 flat angles P-C4'-P energy: -133.772 tors. eta vs tors. theta energy: -240.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2923.058460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.058460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.058460 (E_RNA) where: Base-Base interactions energy: -2081.429 where: short stacking energy: -858.542 Base-Backbone interact. energy: -3.844 local terms energy: -837.785145 where: bonds (distance) C4'-P energy: -137.618 bonds (distance) P-C4' energy: -173.378 flat angles C4'-P-C4' energy: -205.692 flat angles P-C4'-P energy: -110.384 tors. eta vs tors. theta energy: -210.714 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: 5, replica: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2725.187455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.187455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.187455 (E_RNA) where: Base-Base interactions energy: -1859.139 where: short stacking energy: -813.909 Base-Backbone interact. energy: -1.731 local terms energy: -864.317232 where: bonds (distance) C4'-P energy: -163.498 bonds (distance) P-C4' energy: -161.383 flat angles C4'-P-C4' energy: -196.004 flat angles P-C4'-P energy: -124.059 tors. eta vs tors. theta energy: -219.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2517.666180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.666180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.666180 (E_RNA) where: Base-Base interactions energy: -1764.020 where: short stacking energy: -751.412 Base-Backbone interact. energy: -4.887 local terms energy: -748.759399 where: bonds (distance) C4'-P energy: -141.760 bonds (distance) P-C4' energy: -149.410 flat angles C4'-P-C4' energy: -170.366 flat angles P-C4'-P energy: -114.376 tors. eta vs tors. theta energy: -172.848 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: 7, replica: 10 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -2380.787510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.787510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.787510 (E_RNA) where: Base-Base interactions energy: -1654.640 where: short stacking energy: -675.112 Base-Backbone interact. energy: 0.414 local terms energy: -726.561434 where: bonds (distance) C4'-P energy: -166.611 bonds (distance) P-C4' energy: -161.965 flat angles C4'-P-C4' energy: -164.004 flat angles P-C4'-P energy: -92.361 tors. eta vs tors. theta energy: -141.620 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: 8, replica: 7 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -2209.414848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.414848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.414848 (E_RNA) where: Base-Base interactions energy: -1452.455 where: short stacking energy: -659.284 Base-Backbone interact. energy: -3.904 local terms energy: -753.055777 where: bonds (distance) C4'-P energy: -152.132 bonds (distance) P-C4' energy: -176.363 flat angles C4'-P-C4' energy: -160.643 flat angles P-C4'-P energy: -121.663 tors. eta vs tors. theta energy: -142.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1751.282375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.282375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.282375 (E_RNA) where: Base-Base interactions energy: -1113.553 where: short stacking energy: -523.842 Base-Backbone interact. energy: 1.805 local terms energy: -639.534615 where: bonds (distance) C4'-P energy: -155.427 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -143.007 flat angles P-C4'-P energy: -83.567 tors. eta vs tors. theta energy: -107.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -1428.675257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.675257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.675257 (E_RNA) where: Base-Base interactions energy: -934.291 where: short stacking energy: -396.779 Base-Backbone interact. energy: 1.109 local terms energy: -495.493818 where: bonds (distance) C4'-P energy: -132.501 bonds (distance) P-C4' energy: -143.214 flat angles C4'-P-C4' energy: -130.922 flat angles P-C4'-P energy: -70.261 tors. eta vs tors. theta energy: -18.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3237.214062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.214062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.214062 (E_RNA) where: Base-Base interactions energy: -2279.071 where: short stacking energy: -970.695 Base-Backbone interact. energy: -3.467 local terms energy: -954.675843 where: bonds (distance) C4'-P energy: -192.018 bonds (distance) P-C4' energy: -188.801 flat angles C4'-P-C4' energy: -195.083 flat angles P-C4'-P energy: -129.345 tors. eta vs tors. theta energy: -249.430 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: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -3117.420800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.420800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.420800 (E_RNA) where: Base-Base interactions energy: -2164.969 where: short stacking energy: -953.736 Base-Backbone interact. energy: 0.766 local terms energy: -953.218371 where: bonds (distance) C4'-P energy: -172.768 bonds (distance) P-C4' energy: -194.991 flat angles C4'-P-C4' energy: -190.507 flat angles P-C4'-P energy: -138.245 tors. eta vs tors. theta energy: -256.708 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: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -3075.435110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.435110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.435110 (E_RNA) where: Base-Base interactions energy: -2121.287 where: short stacking energy: -943.771 Base-Backbone interact. energy: -4.930 local terms energy: -949.218423 where: bonds (distance) C4'-P energy: -183.745 bonds (distance) P-C4' energy: -169.981 flat angles C4'-P-C4' energy: -218.172 flat angles P-C4'-P energy: -124.894 tors. eta vs tors. theta energy: -252.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2993.110076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.110076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.110076 (E_RNA) where: Base-Base interactions energy: -2087.445 where: short stacking energy: -866.210 Base-Backbone interact. energy: 5.740 local terms energy: -911.404981 where: bonds (distance) C4'-P energy: -168.512 bonds (distance) P-C4' energy: -183.975 flat angles C4'-P-C4' energy: -193.500 flat angles P-C4'-P energy: -136.838 tors. eta vs tors. theta energy: -228.580 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: 1 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2720.221537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.221537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.221537 (E_RNA) where: Base-Base interactions energy: -1877.330 where: short stacking energy: -862.833 Base-Backbone interact. energy: -0.441 local terms energy: -842.450752 where: bonds (distance) C4'-P energy: -163.917 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -186.653 flat angles P-C4'-P energy: -94.476 tors. eta vs tors. theta energy: -238.539 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: 132 Temperature: 1.150000 Total energy: -2499.831503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.831503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.831503 (E_RNA) where: Base-Base interactions energy: -1710.707 where: short stacking energy: -733.093 Base-Backbone interact. energy: 0.271 local terms energy: -789.395297 where: bonds (distance) C4'-P energy: -166.538 bonds (distance) P-C4' energy: -173.164 flat angles C4'-P-C4' energy: -161.962 flat angles P-C4'-P energy: -113.557 tors. eta vs tors. theta energy: -174.173 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: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -2407.282685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.282685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.282685 (E_RNA) where: Base-Base interactions energy: -1680.316 where: short stacking energy: -733.312 Base-Backbone interact. energy: -2.417 local terms energy: -724.549774 where: bonds (distance) C4'-P energy: -122.035 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -166.534 flat angles P-C4'-P energy: -124.822 tors. eta vs tors. theta energy: -162.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -2144.706581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.706581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.706581 (E_RNA) where: Base-Base interactions energy: -1459.979 where: short stacking energy: -670.365 Base-Backbone interact. energy: -1.920 local terms energy: -682.807905 where: bonds (distance) C4'-P energy: -135.547 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -174.521 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -140.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1715.848202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.848202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.848202 (E_RNA) where: Base-Base interactions energy: -1076.740 where: short stacking energy: -510.609 Base-Backbone interact. energy: -2.993 local terms energy: -636.115395 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -156.568 flat angles C4'-P-C4' energy: -164.836 flat angles P-C4'-P energy: -90.621 tors. eta vs tors. theta energy: -82.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -1400.593040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.593040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.593040 (E_RNA) where: Base-Base interactions energy: -849.061 where: short stacking energy: -410.256 Base-Backbone interact. energy: 6.264 local terms energy: -557.796689 where: bonds (distance) C4'-P energy: -142.583 bonds (distance) P-C4' energy: -142.689 flat angles C4'-P-C4' energy: -141.146 flat angles P-C4'-P energy: -89.725 tors. eta vs tors. theta energy: -41.654 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: 8 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3234.585900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.585900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.585900 (E_RNA) where: Base-Base interactions energy: -2291.470 where: short stacking energy: -953.635 Base-Backbone interact. energy: -3.849 local terms energy: -939.266460 where: bonds (distance) C4'-P energy: -187.054 bonds (distance) P-C4' energy: -176.267 flat angles C4'-P-C4' energy: -206.982 flat angles P-C4'-P energy: -122.927 tors. eta vs tors. theta energy: -246.036 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: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -3144.364999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.364999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.364999 (E_RNA) where: Base-Base interactions energy: -2180.562 where: short stacking energy: -935.931 Base-Backbone interact. energy: -3.079 local terms energy: -960.723842 where: bonds (distance) C4'-P energy: -191.204 bonds (distance) P-C4' energy: -191.468 flat angles C4'-P-C4' energy: -208.817 flat angles P-C4'-P energy: -123.661 tors. eta vs tors. theta energy: -245.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -3069.549065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.549065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.549065 (E_RNA) where: Base-Base interactions energy: -2148.932 where: short stacking energy: -915.160 Base-Backbone interact. energy: -1.657 local terms energy: -918.961026 where: bonds (distance) C4'-P energy: -175.102 bonds (distance) P-C4' energy: -176.049 flat angles C4'-P-C4' energy: -187.266 flat angles P-C4'-P energy: -134.767 tors. eta vs tors. theta energy: -245.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2881.065942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.065942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.065942 (E_RNA) where: Base-Base interactions energy: -2023.193 where: short stacking energy: -859.381 Base-Backbone interact. energy: 2.072 local terms energy: -859.945194 where: bonds (distance) C4'-P energy: -161.870 bonds (distance) P-C4' energy: -156.934 flat angles C4'-P-C4' energy: -208.071 flat angles P-C4'-P energy: -110.931 tors. eta vs tors. theta energy: -222.139 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: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2787.010572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.010572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.010572 (E_RNA) where: Base-Base interactions energy: -1917.327 where: short stacking energy: -838.823 Base-Backbone interact. energy: -3.174 local terms energy: -866.509056 where: bonds (distance) C4'-P energy: -151.082 bonds (distance) P-C4' energy: -164.297 flat angles C4'-P-C4' energy: -191.402 flat angles P-C4'-P energy: -133.198 tors. eta vs tors. theta energy: -226.529 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: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2449.026702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.026702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.026702 (E_RNA) where: Base-Base interactions energy: -1730.768 where: short stacking energy: -718.058 Base-Backbone interact. energy: -4.187 local terms energy: -714.071395 where: bonds (distance) C4'-P energy: -144.535 bonds (distance) P-C4' energy: -125.617 flat angles C4'-P-C4' energy: -166.299 flat angles P-C4'-P energy: -114.081 tors. eta vs tors. theta energy: -163.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2363.452770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.452770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.452770 (E_RNA) where: Base-Base interactions energy: -1635.310 where: short stacking energy: -691.036 Base-Backbone interact. energy: -4.017 local terms energy: -724.125713 where: bonds (distance) C4'-P energy: -139.507 bonds (distance) P-C4' energy: -169.344 flat angles C4'-P-C4' energy: -178.759 flat angles P-C4'-P energy: -83.492 tors. eta vs tors. theta energy: -153.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -2141.312100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.312100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.312100 (E_RNA) where: Base-Base interactions energy: -1442.669 where: short stacking energy: -686.640 Base-Backbone interact. energy: -2.137 local terms energy: -696.506163 where: bonds (distance) C4'-P energy: -121.405 bonds (distance) P-C4' energy: -177.906 flat angles C4'-P-C4' energy: -174.251 flat angles P-C4'-P energy: -79.814 tors. eta vs tors. theta energy: -143.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1776.878211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.878211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.878211 (E_RNA) where: Base-Base interactions energy: -1150.792 where: short stacking energy: -546.687 Base-Backbone interact. energy: 1.201 local terms energy: -627.286529 where: bonds (distance) C4'-P energy: -153.990 bonds (distance) P-C4' energy: -136.821 flat angles C4'-P-C4' energy: -146.229 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -104.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -1307.144392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.144392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.144392 (E_RNA) where: Base-Base interactions energy: -795.215 where: short stacking energy: -384.628 Base-Backbone interact. energy: 6.939 local terms energy: -518.868336 where: bonds (distance) C4'-P energy: -154.473 bonds (distance) P-C4' energy: -157.209 flat angles C4'-P-C4' energy: -100.954 flat angles P-C4'-P energy: -62.918 tors. eta vs tors. theta energy: -43.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3257.204130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.204130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.204130 (E_RNA) where: Base-Base interactions energy: -2292.080 where: short stacking energy: -956.671 Base-Backbone interact. energy: -2.195 local terms energy: -962.928595 where: bonds (distance) C4'-P energy: -185.876 bonds (distance) P-C4' energy: -184.645 flat angles C4'-P-C4' energy: -205.368 flat angles P-C4'-P energy: -121.960 tors. eta vs tors. theta energy: -265.081 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: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -3121.987235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.987235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.987235 (E_RNA) where: Base-Base interactions energy: -2184.887 where: short stacking energy: -965.749 Base-Backbone interact. energy: 2.084 local terms energy: -939.184247 where: bonds (distance) C4'-P energy: -176.815 bonds (distance) P-C4' energy: -177.151 flat angles C4'-P-C4' energy: -202.631 flat angles P-C4'-P energy: -124.987 tors. eta vs tors. theta energy: -257.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -3038.882873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.882873 (E_RNA) where: Base-Base interactions energy: -2140.885 where: short stacking energy: -915.613 Base-Backbone interact. energy: -1.344 local terms energy: -896.653875 where: bonds (distance) C4'-P energy: -162.168 bonds (distance) P-C4' energy: -173.869 flat angles C4'-P-C4' energy: -201.869 flat angles P-C4'-P energy: -113.790 tors. eta vs tors. theta energy: -244.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2932.620106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.620106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.620106 (E_RNA) where: Base-Base interactions energy: -2051.999 where: short stacking energy: -839.131 Base-Backbone interact. energy: -2.850 local terms energy: -877.770907 where: bonds (distance) C4'-P energy: -167.198 bonds (distance) P-C4' energy: -165.891 flat angles C4'-P-C4' energy: -195.092 flat angles P-C4'-P energy: -126.429 tors. eta vs tors. theta energy: -223.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2745.440756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.440756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.440756 (E_RNA) where: Base-Base interactions energy: -1890.460 where: short stacking energy: -832.519 Base-Backbone interact. energy: -3.733 local terms energy: -851.247932 where: bonds (distance) C4'-P energy: -155.250 bonds (distance) P-C4' energy: -166.320 flat angles C4'-P-C4' energy: -190.720 flat angles P-C4'-P energy: -124.832 tors. eta vs tors. theta energy: -214.125 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: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2467.488140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.488140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.488140 (E_RNA) where: Base-Base interactions energy: -1652.931 where: short stacking energy: -729.299 Base-Backbone interact. energy: 0.516 local terms energy: -815.073174 where: bonds (distance) C4'-P energy: -159.556 bonds (distance) P-C4' energy: -180.600 flat angles C4'-P-C4' energy: -181.447 flat angles P-C4'-P energy: -123.996 tors. eta vs tors. theta energy: -169.475 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: 7, replica: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2352.746086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.746086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.746086 (E_RNA) where: Base-Base interactions energy: -1605.201 where: short stacking energy: -686.969 Base-Backbone interact. energy: -3.654 local terms energy: -743.890880 where: bonds (distance) C4'-P energy: -148.423 bonds (distance) P-C4' energy: -174.703 flat angles C4'-P-C4' energy: -170.008 flat angles P-C4'-P energy: -105.417 tors. eta vs tors. theta energy: -145.340 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: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -2158.102252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2158.102252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2158.102252 (E_RNA) where: Base-Base interactions energy: -1439.696 where: short stacking energy: -636.941 Base-Backbone interact. energy: -2.615 local terms energy: -715.790433 where: bonds (distance) C4'-P energy: -155.299 bonds (distance) P-C4' energy: -160.713 flat angles C4'-P-C4' energy: -169.353 flat angles P-C4'-P energy: -88.026 tors. eta vs tors. theta energy: -142.401 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: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1695.163251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.163251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.163251 (E_RNA) where: Base-Base interactions energy: -1041.446 where: short stacking energy: -488.786 Base-Backbone interact. energy: 4.650 local terms energy: -658.366873 where: bonds (distance) C4'-P energy: -143.548 bonds (distance) P-C4' energy: -151.336 flat angles C4'-P-C4' energy: -153.415 flat angles P-C4'-P energy: -110.923 tors. eta vs tors. theta energy: -99.144 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: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -1214.768090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.768090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.768090 (E_RNA) where: Base-Base interactions energy: -690.029 where: short stacking energy: -357.126 Base-Backbone interact. energy: 3.394 local terms energy: -528.133441 where: bonds (distance) C4'-P energy: -143.904 bonds (distance) P-C4' energy: -165.795 flat angles C4'-P-C4' energy: -126.092 flat angles P-C4'-P energy: -74.464 tors. eta vs tors. theta energy: -17.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3252.469029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.469029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.469029 (E_RNA) where: Base-Base interactions energy: -2294.105 where: short stacking energy: -967.069 Base-Backbone interact. energy: -1.942 local terms energy: -956.422042 where: bonds (distance) C4'-P energy: -168.955 bonds (distance) P-C4' energy: -190.816 flat angles C4'-P-C4' energy: -204.641 flat angles P-C4'-P energy: -137.376 tors. eta vs tors. theta energy: -254.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -3153.184402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.184402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.184402 (E_RNA) where: Base-Base interactions energy: -2198.282 where: short stacking energy: -902.817 Base-Backbone interact. energy: -4.841 local terms energy: -950.060955 where: bonds (distance) C4'-P energy: -189.272 bonds (distance) P-C4' energy: -168.281 flat angles C4'-P-C4' energy: -212.321 flat angles P-C4'-P energy: -135.721 tors. eta vs tors. theta energy: -244.467 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: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -3030.981329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.981329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.981329 (E_RNA) where: Base-Base interactions energy: -2136.907 where: short stacking energy: -895.335 Base-Backbone interact. energy: 2.213 local terms energy: -896.288140 where: bonds (distance) C4'-P energy: -174.340 bonds (distance) P-C4' energy: -156.576 flat angles C4'-P-C4' energy: -197.610 flat angles P-C4'-P energy: -131.061 tors. eta vs tors. theta energy: -236.701 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: 5 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2981.191412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.191412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.191412 (E_RNA) where: Base-Base interactions energy: -2107.207 where: short stacking energy: -869.240 Base-Backbone interact. energy: -4.087 local terms energy: -869.896834 where: bonds (distance) C4'-P energy: -154.666 bonds (distance) P-C4' energy: -192.487 flat angles C4'-P-C4' energy: -187.952 flat angles P-C4'-P energy: -113.632 tors. eta vs tors. theta energy: -221.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2750.842063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.842063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.842063 (E_RNA) where: Base-Base interactions energy: -1915.811 where: short stacking energy: -837.594 Base-Backbone interact. energy: -3.902 local terms energy: -831.128977 where: bonds (distance) C4'-P energy: -166.641 bonds (distance) P-C4' energy: -148.351 flat angles C4'-P-C4' energy: -187.464 flat angles P-C4'-P energy: -109.857 tors. eta vs tors. theta energy: -218.816 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: 135 Temperature: 1.150000 Total energy: -2463.923058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.923058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.923058 (E_RNA) where: Base-Base interactions energy: -1762.113 where: short stacking energy: -741.773 Base-Backbone interact. energy: -2.153 local terms energy: -699.656602 where: bonds (distance) C4'-P energy: -129.437 bonds (distance) P-C4' energy: -134.877 flat angles C4'-P-C4' energy: -162.122 flat angles P-C4'-P energy: -104.345 tors. eta vs tors. theta energy: -168.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2364.547393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.547393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.547393 (E_RNA) where: Base-Base interactions energy: -1660.255 where: short stacking energy: -728.801 Base-Backbone interact. energy: -1.774 local terms energy: -702.518902 where: bonds (distance) C4'-P energy: -133.815 bonds (distance) P-C4' energy: -150.304 flat angles C4'-P-C4' energy: -164.408 flat angles P-C4'-P energy: -88.631 tors. eta vs tors. theta energy: -165.361 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: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -2161.152369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.152369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.152369 (E_RNA) where: Base-Base interactions energy: -1451.587 where: short stacking energy: -649.039 Base-Backbone interact. energy: -2.808 local terms energy: -706.757112 where: bonds (distance) C4'-P energy: -157.825 bonds (distance) P-C4' energy: -155.147 flat angles C4'-P-C4' energy: -148.695 flat angles P-C4'-P energy: -100.771 tors. eta vs tors. theta energy: -144.319 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: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1698.534741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.534741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.534741 (E_RNA) where: Base-Base interactions energy: -1056.504 where: short stacking energy: -509.366 Base-Backbone interact. energy: 4.503 local terms energy: -646.533769 where: bonds (distance) C4'-P energy: -144.733 bonds (distance) P-C4' energy: -147.874 flat angles C4'-P-C4' energy: -139.442 flat angles P-C4'-P energy: -107.481 tors. eta vs tors. theta energy: -107.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -1236.197290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.197290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.197290 (E_RNA) where: Base-Base interactions energy: -728.875 where: short stacking energy: -372.588 Base-Backbone interact. energy: 0.981 local terms energy: -508.303389 where: bonds (distance) C4'-P energy: -118.947 bonds (distance) P-C4' energy: -156.101 flat angles C4'-P-C4' energy: -127.246 flat angles P-C4'-P energy: -70.408 tors. eta vs tors. theta energy: -35.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3255.760977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.760977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.760977 (E_RNA) where: Base-Base interactions energy: -2295.141 where: short stacking energy: -968.361 Base-Backbone interact. energy: -0.734 local terms energy: -959.886626 where: bonds (distance) C4'-P energy: -180.382 bonds (distance) P-C4' energy: -176.092 flat angles C4'-P-C4' energy: -209.796 flat angles P-C4'-P energy: -140.664 tors. eta vs tors. theta energy: -252.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -3180.212041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.212041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.212041 (E_RNA) where: Base-Base interactions energy: -2212.952 where: short stacking energy: -931.286 Base-Backbone interact. energy: -2.223 local terms energy: -965.036512 where: bonds (distance) C4'-P energy: -173.841 bonds (distance) P-C4' energy: -187.461 flat angles C4'-P-C4' energy: -223.382 flat angles P-C4'-P energy: -127.160 tors. eta vs tors. theta energy: -253.193 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -3051.507013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.507013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.507013 (E_RNA) where: Base-Base interactions energy: -2143.867 where: short stacking energy: -871.212 Base-Backbone interact. energy: -2.334 local terms energy: -905.306307 where: bonds (distance) C4'-P energy: -160.160 bonds (distance) P-C4' energy: -171.437 flat angles C4'-P-C4' energy: -200.382 flat angles P-C4'-P energy: -136.764 tors. eta vs tors. theta energy: -236.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2978.921204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.921204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.921204 (E_RNA) where: Base-Base interactions energy: -2133.781 where: short stacking energy: -903.060 Base-Backbone interact. energy: -5.406 local terms energy: -839.734574 where: bonds (distance) C4'-P energy: -154.093 bonds (distance) P-C4' energy: -159.388 flat angles C4'-P-C4' energy: -187.659 flat angles P-C4'-P energy: -114.592 tors. eta vs tors. theta energy: -224.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2827.609073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.609073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.609073 (E_RNA) where: Base-Base interactions energy: -1930.457 where: short stacking energy: -858.540 Base-Backbone interact. energy: 2.416 local terms energy: -899.568179 where: bonds (distance) C4'-P energy: -164.892 bonds (distance) P-C4' energy: -178.257 flat angles C4'-P-C4' energy: -192.056 flat angles P-C4'-P energy: -130.945 tors. eta vs tors. theta energy: -233.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2480.558144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.558144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.558144 (E_RNA) where: Base-Base interactions energy: -1696.039 where: short stacking energy: -744.593 Base-Backbone interact. energy: 0.373 local terms energy: -784.892441 where: bonds (distance) C4'-P energy: -139.925 bonds (distance) P-C4' energy: -155.476 flat angles C4'-P-C4' energy: -186.122 flat angles P-C4'-P energy: -113.384 tors. eta vs tors. theta energy: -189.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2339.666408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.666408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.666408 (E_RNA) where: Base-Base interactions energy: -1602.564 where: short stacking energy: -682.821 Base-Backbone interact. energy: -5.261 local terms energy: -731.841857 where: bonds (distance) C4'-P energy: -139.460 bonds (distance) P-C4' energy: -168.236 flat angles C4'-P-C4' energy: -164.667 flat angles P-C4'-P energy: -121.628 tors. eta vs tors. theta energy: -137.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -2088.952734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.952734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.952734 (E_RNA) where: Base-Base interactions energy: -1411.939 where: short stacking energy: -593.734 Base-Backbone interact. energy: 9.357 local terms energy: -686.370730 where: bonds (distance) C4'-P energy: -157.329 bonds (distance) P-C4' energy: -162.719 flat angles C4'-P-C4' energy: -152.982 flat angles P-C4'-P energy: -100.642 tors. eta vs tors. theta energy: -112.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1689.796985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.796985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.796985 (E_RNA) where: Base-Base interactions energy: -1095.549 where: short stacking energy: -505.294 Base-Backbone interact. energy: 1.556 local terms energy: -595.803360 where: bonds (distance) C4'-P energy: -120.231 bonds (distance) P-C4' energy: -143.012 flat angles C4'-P-C4' energy: -158.500 flat angles P-C4'-P energy: -91.678 tors. eta vs tors. theta energy: -82.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -1225.998642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.998642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.998642 (E_RNA) where: Base-Base interactions energy: -697.176 where: short stacking energy: -365.069 Base-Backbone interact. energy: -0.092 local terms energy: -528.729877 where: bonds (distance) C4'-P energy: -158.146 bonds (distance) P-C4' energy: -130.961 flat angles C4'-P-C4' energy: -135.578 flat angles P-C4'-P energy: -71.896 tors. eta vs tors. theta energy: -32.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3204.937056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.937056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.937056 (E_RNA) where: Base-Base interactions energy: -2272.038 where: short stacking energy: -953.456 Base-Backbone interact. energy: 1.698 local terms energy: -934.597380 where: bonds (distance) C4'-P energy: -189.565 bonds (distance) P-C4' energy: -165.797 flat angles C4'-P-C4' energy: -197.897 flat angles P-C4'-P energy: -128.756 tors. eta vs tors. theta energy: -252.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -3156.120059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.120059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.120059 (E_RNA) where: Base-Base interactions energy: -2198.512 where: short stacking energy: -914.264 Base-Backbone interact. energy: -3.449 local terms energy: -954.158504 where: bonds (distance) C4'-P energy: -165.668 bonds (distance) P-C4' energy: -195.268 flat angles C4'-P-C4' energy: -215.668 flat angles P-C4'-P energy: -135.800 tors. eta vs tors. theta energy: -241.753 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: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -3033.391525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.391525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.391525 (E_RNA) where: Base-Base interactions energy: -2118.377 where: short stacking energy: -890.819 Base-Backbone interact. energy: -2.124 local terms energy: -912.890782 where: bonds (distance) C4'-P energy: -154.489 bonds (distance) P-C4' energy: -188.263 flat angles C4'-P-C4' energy: -197.363 flat angles P-C4'-P energy: -134.842 tors. eta vs tors. theta energy: -237.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2929.032567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.032567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.032567 (E_RNA) where: Base-Base interactions energy: -2085.209 where: short stacking energy: -881.912 Base-Backbone interact. energy: -2.432 local terms energy: -841.391884 where: bonds (distance) C4'-P energy: -155.165 bonds (distance) P-C4' energy: -164.280 flat angles C4'-P-C4' energy: -184.106 flat angles P-C4'-P energy: -114.007 tors. eta vs tors. theta energy: -223.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2784.964065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.964065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.964065 (E_RNA) where: Base-Base interactions energy: -1947.008 where: short stacking energy: -819.066 Base-Backbone interact. energy: -5.473 local terms energy: -832.483476 where: bonds (distance) C4'-P energy: -151.573 bonds (distance) P-C4' energy: -157.918 flat angles C4'-P-C4' energy: -185.653 flat angles P-C4'-P energy: -113.725 tors. eta vs tors. theta energy: -223.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2505.886486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.886486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.886486 (E_RNA) where: Base-Base interactions energy: -1694.156 where: short stacking energy: -724.295 Base-Backbone interact. energy: -4.831 local terms energy: -806.899469 where: bonds (distance) C4'-P energy: -175.345 bonds (distance) P-C4' energy: -166.516 flat angles C4'-P-C4' energy: -172.678 flat angles P-C4'-P energy: -115.463 tors. eta vs tors. theta energy: -176.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2347.830051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2347.830051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2347.830051 (E_RNA) where: Base-Base interactions energy: -1616.134 where: short stacking energy: -656.754 Base-Backbone interact. energy: -2.461 local terms energy: -729.235544 where: bonds (distance) C4'-P energy: -161.277 bonds (distance) P-C4' energy: -157.134 flat angles C4'-P-C4' energy: -180.238 flat angles P-C4'-P energy: -95.238 tors. eta vs tors. theta energy: -135.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -2041.409186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.409186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.409186 (E_RNA) where: Base-Base interactions energy: -1339.048 where: short stacking energy: -599.615 Base-Backbone interact. energy: 0.984 local terms energy: -703.344970 where: bonds (distance) C4'-P energy: -167.216 bonds (distance) P-C4' energy: -140.811 flat angles C4'-P-C4' energy: -160.498 flat angles P-C4'-P energy: -94.415 tors. eta vs tors. theta energy: -140.405 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: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1726.019822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.019822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.019822 (E_RNA) where: Base-Base interactions energy: -1108.811 where: short stacking energy: -508.059 Base-Backbone interact. energy: -1.554 local terms energy: -615.655167 where: bonds (distance) C4'-P energy: -132.160 bonds (distance) P-C4' energy: -163.154 flat angles C4'-P-C4' energy: -135.578 flat angles P-C4'-P energy: -88.588 tors. eta vs tors. theta energy: -96.176 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: 10, replica: 9 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -1138.841678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.841678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.841678 (E_RNA) where: Base-Base interactions energy: -629.061 where: short stacking energy: -320.034 Base-Backbone interact. energy: 2.006 local terms energy: -511.786694 where: bonds (distance) C4'-P energy: -145.016 bonds (distance) P-C4' energy: -137.677 flat angles C4'-P-C4' energy: -136.130 flat angles P-C4'-P energy: -78.292 tors. eta vs tors. theta energy: -14.671 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: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3241.202189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.202189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.202189 (E_RNA) where: Base-Base interactions energy: -2287.896 where: short stacking energy: -949.456 Base-Backbone interact. energy: -1.914 local terms energy: -951.391924 where: bonds (distance) C4'-P energy: -159.704 bonds (distance) P-C4' energy: -188.267 flat angles C4'-P-C4' energy: -201.677 flat angles P-C4'-P energy: -149.200 tors. eta vs tors. theta energy: -252.544 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: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -3163.179986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.179986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.179986 (E_RNA) where: Base-Base interactions energy: -2209.521 where: short stacking energy: -933.560 Base-Backbone interact. energy: -4.816 local terms energy: -948.842836 where: bonds (distance) C4'-P energy: -182.395 bonds (distance) P-C4' energy: -178.916 flat angles C4'-P-C4' energy: -203.893 flat angles P-C4'-P energy: -132.930 tors. eta vs tors. theta energy: -250.709 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: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -3042.757317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.757317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.757317 (E_RNA) where: Base-Base interactions energy: -2138.047 where: short stacking energy: -884.121 Base-Backbone interact. energy: -4.191 local terms energy: -900.519799 where: bonds (distance) C4'-P energy: -159.499 bonds (distance) P-C4' energy: -167.623 flat angles C4'-P-C4' energy: -193.214 flat angles P-C4'-P energy: -123.555 tors. eta vs tors. theta energy: -256.629 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: 138 Temperature: 1.050000 Total energy: -2957.068994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.068994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.068994 (E_RNA) where: Base-Base interactions energy: -2069.574 where: short stacking energy: -883.474 Base-Backbone interact. energy: -3.266 local terms energy: -884.228489 where: bonds (distance) C4'-P energy: -149.866 bonds (distance) P-C4' energy: -172.924 flat angles C4'-P-C4' energy: -207.589 flat angles P-C4'-P energy: -113.216 tors. eta vs tors. theta energy: -240.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2802.266312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.266312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.266312 (E_RNA) where: Base-Base interactions energy: -1946.391 where: short stacking energy: -865.246 Base-Backbone interact. energy: -2.737 local terms energy: -853.138100 where: bonds (distance) C4'-P energy: -153.956 bonds (distance) P-C4' energy: -152.318 flat angles C4'-P-C4' energy: -194.955 flat angles P-C4'-P energy: -116.419 tors. eta vs tors. theta energy: -235.490 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: 2 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2463.791696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.791696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.791696 (E_RNA) where: Base-Base interactions energy: -1664.328 where: short stacking energy: -710.986 Base-Backbone interact. energy: -0.750 local terms energy: -798.714079 where: bonds (distance) C4'-P energy: -149.854 bonds (distance) P-C4' energy: -173.989 flat angles C4'-P-C4' energy: -189.505 flat angles P-C4'-P energy: -120.965 tors. eta vs tors. theta energy: -164.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2370.781780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.781780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.781780 (E_RNA) where: Base-Base interactions energy: -1671.222 where: short stacking energy: -678.502 Base-Backbone interact. energy: -0.218 local terms energy: -699.341679 where: bonds (distance) C4'-P energy: -154.864 bonds (distance) P-C4' energy: -148.038 flat angles C4'-P-C4' energy: -151.109 flat angles P-C4'-P energy: -110.293 tors. eta vs tors. theta energy: -135.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -2059.885883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.885883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.885883 (E_RNA) where: Base-Base interactions energy: -1362.719 where: short stacking energy: -605.298 Base-Backbone interact. energy: -2.292 local terms energy: -694.874522 where: bonds (distance) C4'-P energy: -146.086 bonds (distance) P-C4' energy: -170.989 flat angles C4'-P-C4' energy: -157.921 flat angles P-C4'-P energy: -102.032 tors. eta vs tors. theta energy: -117.847 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: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1685.744981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.744981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.744981 (E_RNA) where: Base-Base interactions energy: -1061.218 where: short stacking energy: -494.430 Base-Backbone interact. energy: 1.702 local terms energy: -626.228396 where: bonds (distance) C4'-P energy: -149.149 bonds (distance) P-C4' energy: -156.222 flat angles C4'-P-C4' energy: -145.042 flat angles P-C4'-P energy: -97.381 tors. eta vs tors. theta energy: -78.435 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: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -1027.512380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.512380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.512380 (E_RNA) where: Base-Base interactions energy: -560.700 where: short stacking energy: -308.216 Base-Backbone interact. energy: -2.212 local terms energy: -464.601019 where: bonds (distance) C4'-P energy: -150.455 bonds (distance) P-C4' energy: -138.174 flat angles C4'-P-C4' energy: -107.307 flat angles P-C4'-P energy: -68.639 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3264.690886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.690886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.690886 (E_RNA) where: Base-Base interactions energy: -2342.279 where: short stacking energy: -965.354 Base-Backbone interact. energy: -1.898 local terms energy: -920.514562 where: bonds (distance) C4'-P energy: -169.291 bonds (distance) P-C4' energy: -182.577 flat angles C4'-P-C4' energy: -191.583 flat angles P-C4'-P energy: -122.602 tors. eta vs tors. theta energy: -254.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -3154.344225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.344225 (E_RNA) where: Base-Base interactions energy: -2221.543 where: short stacking energy: -959.260 Base-Backbone interact. energy: -1.901 local terms energy: -930.899916 where: bonds (distance) C4'-P energy: -161.622 bonds (distance) P-C4' energy: -181.357 flat angles C4'-P-C4' energy: -202.363 flat angles P-C4'-P energy: -137.207 tors. eta vs tors. theta energy: -248.351 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: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -3020.559613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.559613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.559613 (E_RNA) where: Base-Base interactions energy: -2123.847 where: short stacking energy: -876.024 Base-Backbone interact. energy: -2.096 local terms energy: -894.616448 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -169.197 flat angles C4'-P-C4' energy: -199.373 flat angles P-C4'-P energy: -127.588 tors. eta vs tors. theta energy: -232.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2919.733017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.733017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.733017 (E_RNA) where: Base-Base interactions energy: -2069.799 where: short stacking energy: -872.612 Base-Backbone interact. energy: -5.816 local terms energy: -844.118039 where: bonds (distance) C4'-P energy: -163.898 bonds (distance) P-C4' energy: -161.494 flat angles C4'-P-C4' energy: -187.364 flat angles P-C4'-P energy: -122.839 tors. eta vs tors. theta energy: -208.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2769.432033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.432033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.432033 (E_RNA) where: Base-Base interactions energy: -1922.896 where: short stacking energy: -808.066 Base-Backbone interact. energy: 0.312 local terms energy: -846.848443 where: bonds (distance) C4'-P energy: -156.290 bonds (distance) P-C4' energy: -151.687 flat angles C4'-P-C4' energy: -182.832 flat angles P-C4'-P energy: -129.198 tors. eta vs tors. theta energy: -226.841 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: 2 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2524.089155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.089155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.089155 (E_RNA) where: Base-Base interactions energy: -1742.207 where: short stacking energy: -727.733 Base-Backbone interact. energy: -4.978 local terms energy: -776.904221 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -160.633 flat angles C4'-P-C4' energy: -168.455 flat angles P-C4'-P energy: -115.967 tors. eta vs tors. theta energy: -173.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -2357.107241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.107241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.107241 (E_RNA) where: Base-Base interactions energy: -1615.968 where: short stacking energy: -681.768 Base-Backbone interact. energy: -2.353 local terms energy: -738.786442 where: bonds (distance) C4'-P energy: -152.776 bonds (distance) P-C4' energy: -160.049 flat angles C4'-P-C4' energy: -171.094 flat angles P-C4'-P energy: -103.009 tors. eta vs tors. theta energy: -151.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -2022.781792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.781792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.781792 (E_RNA) where: Base-Base interactions energy: -1382.102 where: short stacking energy: -610.675 Base-Backbone interact. energy: 6.768 local terms energy: -647.447756 where: bonds (distance) C4'-P energy: -134.347 bonds (distance) P-C4' energy: -149.194 flat angles C4'-P-C4' energy: -148.840 flat angles P-C4'-P energy: -97.783 tors. eta vs tors. theta energy: -117.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1753.699062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.699062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.699062 (E_RNA) where: Base-Base interactions energy: -1154.215 where: short stacking energy: -551.958 Base-Backbone interact. energy: -0.207 local terms energy: -599.276796 where: bonds (distance) C4'-P energy: -107.965 bonds (distance) P-C4' energy: -158.163 flat angles C4'-P-C4' energy: -145.983 flat angles P-C4'-P energy: -86.997 tors. eta vs tors. theta energy: -100.168 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: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -1051.630048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.630048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.630048 (E_RNA) where: Base-Base interactions energy: -557.524 where: short stacking energy: -315.904 Base-Backbone interact. energy: 0.709 local terms energy: -494.814749 where: bonds (distance) C4'-P energy: -136.132 bonds (distance) P-C4' energy: -143.569 flat angles C4'-P-C4' energy: -129.212 flat angles P-C4'-P energy: -59.999 tors. eta vs tors. theta energy: -25.902 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3256.255902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.255902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.255902 (E_RNA) where: Base-Base interactions energy: -2292.422 where: short stacking energy: -975.437 Base-Backbone interact. energy: -1.845 local terms energy: -961.988176 where: bonds (distance) C4'-P energy: -193.228 bonds (distance) P-C4' energy: -182.503 flat angles C4'-P-C4' energy: -204.308 flat angles P-C4'-P energy: -123.660 tors. eta vs tors. theta energy: -258.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -3192.249028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.249028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.249028 (E_RNA) where: Base-Base interactions energy: -2248.328 where: short stacking energy: -955.932 Base-Backbone interact. energy: -4.699 local terms energy: -939.222118 where: bonds (distance) C4'-P energy: -175.110 bonds (distance) P-C4' energy: -186.031 flat angles C4'-P-C4' energy: -200.388 flat angles P-C4'-P energy: -125.221 tors. eta vs tors. theta energy: -252.472 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: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2997.655217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.655217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.655217 (E_RNA) where: Base-Base interactions energy: -2095.331 where: short stacking energy: -885.869 Base-Backbone interact. energy: -1.819 local terms energy: -900.504680 where: bonds (distance) C4'-P energy: -160.965 bonds (distance) P-C4' energy: -188.389 flat angles C4'-P-C4' energy: -193.807 flat angles P-C4'-P energy: -131.807 tors. eta vs tors. theta energy: -225.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2958.940720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.940720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.940720 (E_RNA) where: Base-Base interactions energy: -2108.161 where: short stacking energy: -901.746 Base-Backbone interact. energy: -1.871 local terms energy: -848.909308 where: bonds (distance) C4'-P energy: -142.763 bonds (distance) P-C4' energy: -163.383 flat angles C4'-P-C4' energy: -187.420 flat angles P-C4'-P energy: -118.547 tors. eta vs tors. theta energy: -236.797 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: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2802.291623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.291623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.291623 (E_RNA) where: Base-Base interactions energy: -1960.034 where: short stacking energy: -865.278 Base-Backbone interact. energy: -2.106 local terms energy: -840.151889 where: bonds (distance) C4'-P energy: -137.324 bonds (distance) P-C4' energy: -165.583 flat angles C4'-P-C4' energy: -195.896 flat angles P-C4'-P energy: -111.183 tors. eta vs tors. theta energy: -230.166 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: 2 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2507.138726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.138726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.138726 (E_RNA) where: Base-Base interactions energy: -1739.018 where: short stacking energy: -786.930 Base-Backbone interact. energy: -4.722 local terms energy: -763.398357 where: bonds (distance) C4'-P energy: -152.828 bonds (distance) P-C4' energy: -143.887 flat angles C4'-P-C4' energy: -160.606 flat angles P-C4'-P energy: -105.919 tors. eta vs tors. theta energy: -200.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2363.961187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.961187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.961187 (E_RNA) where: Base-Base interactions energy: -1632.868 where: short stacking energy: -718.999 Base-Backbone interact. energy: 0.260 local terms energy: -731.352519 where: bonds (distance) C4'-P energy: -147.464 bonds (distance) P-C4' energy: -173.675 flat angles C4'-P-C4' energy: -168.618 flat angles P-C4'-P energy: -96.435 tors. eta vs tors. theta energy: -145.160 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: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -2112.280822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.280822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.280822 (E_RNA) where: Base-Base interactions energy: -1390.542 where: short stacking energy: -629.676 Base-Backbone interact. energy: -4.773 local terms energy: -716.965807 where: bonds (distance) C4'-P energy: -134.004 bonds (distance) P-C4' energy: -158.658 flat angles C4'-P-C4' energy: -171.525 flat angles P-C4'-P energy: -103.011 tors. eta vs tors. theta energy: -149.768 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: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1762.214689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.214689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.214689 (E_RNA) where: Base-Base interactions energy: -1145.216 where: short stacking energy: -530.380 Base-Backbone interact. energy: 7.237 local terms energy: -624.234959 where: bonds (distance) C4'-P energy: -142.680 bonds (distance) P-C4' energy: -154.033 flat angles C4'-P-C4' energy: -145.673 flat angles P-C4'-P energy: -86.766 tors. eta vs tors. theta energy: -95.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -1054.754656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.754656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.754656 (E_RNA) where: Base-Base interactions energy: -550.737 where: short stacking energy: -293.560 Base-Backbone interact. energy: 0.146 local terms energy: -504.163800 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -152.438 flat angles C4'-P-C4' energy: -130.817 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: 11.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3229.960798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.960798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.960798 (E_RNA) where: Base-Base interactions energy: -2295.520 where: short stacking energy: -958.522 Base-Backbone interact. energy: -2.929 local terms energy: -931.512008 where: bonds (distance) C4'-P energy: -183.278 bonds (distance) P-C4' energy: -176.419 flat angles C4'-P-C4' energy: -207.554 flat angles P-C4'-P energy: -113.664 tors. eta vs tors. theta energy: -250.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -3152.307319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.307319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.307319 (E_RNA) where: Base-Base interactions energy: -2206.214 where: short stacking energy: -946.098 Base-Backbone interact. energy: 2.006 local terms energy: -948.099427 where: bonds (distance) C4'-P energy: -183.242 bonds (distance) P-C4' energy: -186.847 flat angles C4'-P-C4' energy: -196.323 flat angles P-C4'-P energy: -133.610 tors. eta vs tors. theta energy: -248.078 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: 141 Temperature: 1.000000 Total energy: -3015.579785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.579785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.579785 (E_RNA) where: Base-Base interactions energy: -2122.916 where: short stacking energy: -904.902 Base-Backbone interact. energy: 3.403 local terms energy: -896.066520 where: bonds (distance) C4'-P energy: -167.862 bonds (distance) P-C4' energy: -172.087 flat angles C4'-P-C4' energy: -196.508 flat angles P-C4'-P energy: -132.318 tors. eta vs tors. theta energy: -227.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2972.884697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.884697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.884697 (E_RNA) where: Base-Base interactions energy: -2078.590 where: short stacking energy: -890.275 Base-Backbone interact. energy: -5.731 local terms energy: -888.563943 where: bonds (distance) C4'-P energy: -165.972 bonds (distance) P-C4' energy: -170.467 flat angles C4'-P-C4' energy: -203.201 flat angles P-C4'-P energy: -113.462 tors. eta vs tors. theta energy: -235.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2756.508620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.508620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.508620 (E_RNA) where: Base-Base interactions energy: -1902.421 where: short stacking energy: -846.441 Base-Backbone interact. energy: -2.621 local terms energy: -851.466137 where: bonds (distance) C4'-P energy: -159.498 bonds (distance) P-C4' energy: -172.401 flat angles C4'-P-C4' energy: -186.857 flat angles P-C4'-P energy: -116.141 tors. eta vs tors. theta energy: -216.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2569.419109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.419109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.419109 (E_RNA) where: Base-Base interactions energy: -1777.217 where: short stacking energy: -780.880 Base-Backbone interact. energy: 0.370 local terms energy: -792.572079 where: bonds (distance) C4'-P energy: -177.886 bonds (distance) P-C4' energy: -151.580 flat angles C4'-P-C4' energy: -169.512 flat angles P-C4'-P energy: -105.296 tors. eta vs tors. theta energy: -188.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2360.807036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.807036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.807036 (E_RNA) where: Base-Base interactions energy: -1631.813 where: short stacking energy: -659.452 Base-Backbone interact. energy: -4.585 local terms energy: -724.408881 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -141.685 flat angles C4'-P-C4' energy: -163.743 flat angles P-C4'-P energy: -116.291 tors. eta vs tors. theta energy: -147.119 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: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -2202.580494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.580494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.580494 (E_RNA) where: Base-Base interactions energy: -1501.631 where: short stacking energy: -652.435 Base-Backbone interact. energy: 5.572 local terms energy: -706.521351 where: bonds (distance) C4'-P energy: -140.081 bonds (distance) P-C4' energy: -167.936 flat angles C4'-P-C4' energy: -143.556 flat angles P-C4'-P energy: -119.639 tors. eta vs tors. theta energy: -135.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1764.332678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.332678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.332678 (E_RNA) where: Base-Base interactions energy: -1124.675 where: short stacking energy: -530.960 Base-Backbone interact. energy: -2.367 local terms energy: -637.289904 where: bonds (distance) C4'-P energy: -142.754 bonds (distance) P-C4' energy: -156.401 flat angles C4'-P-C4' energy: -149.823 flat angles P-C4'-P energy: -80.464 tors. eta vs tors. theta energy: -107.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1088.209677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.209677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.209677 (E_RNA) where: Base-Base interactions energy: -594.544 where: short stacking energy: -342.621 Base-Backbone interact. energy: 8.209 local terms energy: -501.874470 where: bonds (distance) C4'-P energy: -125.070 bonds (distance) P-C4' energy: -159.804 flat angles C4'-P-C4' energy: -118.010 flat angles P-C4'-P energy: -81.208 tors. eta vs tors. theta energy: -17.782 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: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3254.645694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.645694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.645694 (E_RNA) where: Base-Base interactions energy: -2284.576 where: short stacking energy: -975.615 Base-Backbone interact. energy: -3.825 local terms energy: -966.244471 where: bonds (distance) C4'-P energy: -178.820 bonds (distance) P-C4' energy: -196.897 flat angles C4'-P-C4' energy: -198.540 flat angles P-C4'-P energy: -137.195 tors. eta vs tors. theta energy: -254.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -3143.268490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.268490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.268490 (E_RNA) where: Base-Base interactions energy: -2215.596 where: short stacking energy: -904.149 Base-Backbone interact. energy: 0.950 local terms energy: -928.622084 where: bonds (distance) C4'-P energy: -192.567 bonds (distance) P-C4' energy: -171.121 flat angles C4'-P-C4' energy: -196.428 flat angles P-C4'-P energy: -126.773 tors. eta vs tors. theta energy: -241.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -3028.141484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.141484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.141484 (E_RNA) where: Base-Base interactions energy: -2120.526 where: short stacking energy: -902.666 Base-Backbone interact. energy: 1.414 local terms energy: -909.029410 where: bonds (distance) C4'-P energy: -167.417 bonds (distance) P-C4' energy: -185.684 flat angles C4'-P-C4' energy: -188.890 flat angles P-C4'-P energy: -136.637 tors. eta vs tors. theta energy: -230.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2961.179928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.179928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.179928 (E_RNA) where: Base-Base interactions energy: -2086.909 where: short stacking energy: -899.360 Base-Backbone interact. energy: -4.868 local terms energy: -869.402419 where: bonds (distance) C4'-P energy: -149.670 bonds (distance) P-C4' energy: -164.697 flat angles C4'-P-C4' energy: -187.885 flat angles P-C4'-P energy: -129.653 tors. eta vs tors. theta energy: -237.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2773.503333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.503333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.503333 (E_RNA) where: Base-Base interactions energy: -1926.303 where: short stacking energy: -842.859 Base-Backbone interact. energy: 3.036 local terms energy: -850.236953 where: bonds (distance) C4'-P energy: -156.264 bonds (distance) P-C4' energy: -150.806 flat angles C4'-P-C4' energy: -183.113 flat angles P-C4'-P energy: -123.749 tors. eta vs tors. theta energy: -236.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -2529.831990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.831990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.831990 (E_RNA) where: Base-Base interactions energy: -1747.729 where: short stacking energy: -741.642 Base-Backbone interact. energy: -4.938 local terms energy: -777.165212 where: bonds (distance) C4'-P energy: -133.484 bonds (distance) P-C4' energy: -157.171 flat angles C4'-P-C4' energy: -180.834 flat angles P-C4'-P energy: -109.569 tors. eta vs tors. theta energy: -196.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2352.257761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.257761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.257761 (E_RNA) where: Base-Base interactions energy: -1589.810 where: short stacking energy: -650.478 Base-Backbone interact. energy: -1.592 local terms energy: -760.855599 where: bonds (distance) C4'-P energy: -161.089 bonds (distance) P-C4' energy: -165.497 flat angles C4'-P-C4' energy: -172.655 flat angles P-C4'-P energy: -125.495 tors. eta vs tors. theta energy: -136.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -2085.408255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.408255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.408255 (E_RNA) where: Base-Base interactions energy: -1406.341 where: short stacking energy: -619.729 Base-Backbone interact. energy: 2.382 local terms energy: -681.449209 where: bonds (distance) C4'-P energy: -124.342 bonds (distance) P-C4' energy: -151.516 flat angles C4'-P-C4' energy: -168.895 flat angles P-C4'-P energy: -101.585 tors. eta vs tors. theta energy: -135.111 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: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1806.674348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.674348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.674348 (E_RNA) where: Base-Base interactions energy: -1185.788 where: short stacking energy: -551.933 Base-Backbone interact. energy: 10.998 local terms energy: -631.883576 where: bonds (distance) C4'-P energy: -139.941 bonds (distance) P-C4' energy: -159.706 flat angles C4'-P-C4' energy: -147.824 flat angles P-C4'-P energy: -83.054 tors. eta vs tors. theta energy: -101.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1054.351750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.351750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.351750 (E_RNA) where: Base-Base interactions energy: -572.243 where: short stacking energy: -288.996 Base-Backbone interact. energy: -3.638 local terms energy: -478.470814 where: bonds (distance) C4'-P energy: -147.414 bonds (distance) P-C4' energy: -144.256 flat angles C4'-P-C4' energy: -116.545 flat angles P-C4'-P energy: -53.622 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3284.717884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.717884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.717884 (E_RNA) where: Base-Base interactions energy: -2347.806 where: short stacking energy: -1015.658 Base-Backbone interact. energy: 0.492 local terms energy: -937.404105 where: bonds (distance) C4'-P energy: -167.063 bonds (distance) P-C4' energy: -168.816 flat angles C4'-P-C4' energy: -198.861 flat angles P-C4'-P energy: -129.367 tors. eta vs tors. theta energy: -273.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -3171.769553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.769553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.769553 (E_RNA) where: Base-Base interactions energy: -2240.861 where: short stacking energy: -932.412 Base-Backbone interact. energy: -3.586 local terms energy: -927.323069 where: bonds (distance) C4'-P energy: -170.648 bonds (distance) P-C4' energy: -167.224 flat angles C4'-P-C4' energy: -205.569 flat angles P-C4'-P energy: -135.600 tors. eta vs tors. theta energy: -248.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -3017.068688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.068688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.068688 (E_RNA) where: Base-Base interactions energy: -2112.266 where: short stacking energy: -894.214 Base-Backbone interact. energy: -2.388 local terms energy: -902.414572 where: bonds (distance) C4'-P energy: -178.030 bonds (distance) P-C4' energy: -174.645 flat angles C4'-P-C4' energy: -198.436 flat angles P-C4'-P energy: -131.516 tors. eta vs tors. theta energy: -219.788 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: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2849.203468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.203468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.203468 (E_RNA) where: Base-Base interactions energy: -1940.148 where: short stacking energy: -874.893 Base-Backbone interact. energy: 1.045 local terms energy: -910.101234 where: bonds (distance) C4'-P energy: -157.796 bonds (distance) P-C4' energy: -160.331 flat angles C4'-P-C4' energy: -215.746 flat angles P-C4'-P energy: -129.504 tors. eta vs tors. theta energy: -246.724 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2915.226444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.226444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.226444 (E_RNA) where: Base-Base interactions energy: -2000.726 where: short stacking energy: -859.569 Base-Backbone interact. energy: -1.887 local terms energy: -912.613090 where: bonds (distance) C4'-P energy: -172.015 bonds (distance) P-C4' energy: -178.704 flat angles C4'-P-C4' energy: -206.354 flat angles P-C4'-P energy: -120.701 tors. eta vs tors. theta energy: -234.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2598.393074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.393074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.393074 (E_RNA) where: Base-Base interactions energy: -1806.285 where: short stacking energy: -767.739 Base-Backbone interact. energy: 2.086 local terms energy: -794.194104 where: bonds (distance) C4'-P energy: -152.201 bonds (distance) P-C4' energy: -160.734 flat angles C4'-P-C4' energy: -178.104 flat angles P-C4'-P energy: -115.705 tors. eta vs tors. theta energy: -187.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2376.057823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.057823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.057823 (E_RNA) where: Base-Base interactions energy: -1635.225 where: short stacking energy: -675.996 Base-Backbone interact. energy: -1.003 local terms energy: -739.829099 where: bonds (distance) C4'-P energy: -166.595 bonds (distance) P-C4' energy: -159.749 flat angles C4'-P-C4' energy: -176.333 flat angles P-C4'-P energy: -97.192 tors. eta vs tors. theta energy: -139.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2085.733850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.733850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.733850 (E_RNA) where: Base-Base interactions energy: -1434.110 where: short stacking energy: -638.829 Base-Backbone interact. energy: -1.796 local terms energy: -649.828540 where: bonds (distance) C4'-P energy: -131.299 bonds (distance) P-C4' energy: -123.489 flat angles C4'-P-C4' energy: -161.936 flat angles P-C4'-P energy: -96.772 tors. eta vs tors. theta energy: -136.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1794.343917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.343917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.343917 (E_RNA) where: Base-Base interactions energy: -1118.033 where: short stacking energy: -558.080 Base-Backbone interact. energy: -3.376 local terms energy: -672.935306 where: bonds (distance) C4'-P energy: -127.158 bonds (distance) P-C4' energy: -171.637 flat angles C4'-P-C4' energy: -168.467 flat angles P-C4'-P energy: -90.238 tors. eta vs tors. theta energy: -115.435 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: 9 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1122.510441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.510441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.510441 (E_RNA) where: Base-Base interactions energy: -641.440 where: short stacking energy: -355.849 Base-Backbone interact. energy: 4.132 local terms energy: -485.202603 where: bonds (distance) C4'-P energy: -129.451 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -121.632 flat angles P-C4'-P energy: -86.128 tors. eta vs tors. theta energy: -9.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3269.116973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.116973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.116973 (E_RNA) where: Base-Base interactions energy: -2305.236 where: short stacking energy: -968.522 Base-Backbone interact. energy: -1.733 local terms energy: -962.148235 where: bonds (distance) C4'-P energy: -187.523 bonds (distance) P-C4' energy: -189.362 flat angles C4'-P-C4' energy: -206.673 flat angles P-C4'-P energy: -121.773 tors. eta vs tors. theta energy: -256.818 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: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -3210.730910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.730910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.730910 (E_RNA) where: Base-Base interactions energy: -2264.989 where: short stacking energy: -967.682 Base-Backbone interact. energy: -5.959 local terms energy: -939.782480 where: bonds (distance) C4'-P energy: -180.311 bonds (distance) P-C4' energy: -164.470 flat angles C4'-P-C4' energy: -216.405 flat angles P-C4'-P energy: -137.692 tors. eta vs tors. theta energy: -240.905 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: 5 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -3100.971591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.971591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.971591 (E_RNA) where: Base-Base interactions energy: -2185.030 where: short stacking energy: -908.896 Base-Backbone interact. energy: 0.435 local terms energy: -916.376648 where: bonds (distance) C4'-P energy: -177.080 bonds (distance) P-C4' energy: -177.050 flat angles C4'-P-C4' energy: -194.035 flat angles P-C4'-P energy: -132.686 tors. eta vs tors. theta energy: -235.525 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: 1 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2862.782601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.782601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.782601 (E_RNA) where: Base-Base interactions energy: -1949.159 where: short stacking energy: -874.214 Base-Backbone interact. energy: -1.805 local terms energy: -911.819540 where: bonds (distance) C4'-P energy: -174.684 bonds (distance) P-C4' energy: -175.063 flat angles C4'-P-C4' energy: -189.680 flat angles P-C4'-P energy: -131.247 tors. eta vs tors. theta energy: -241.146 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: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2932.610818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.610818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.610818 (E_RNA) where: Base-Base interactions energy: -2073.863 where: short stacking energy: -883.494 Base-Backbone interact. energy: -0.865 local terms energy: -857.883147 where: bonds (distance) C4'-P energy: -160.307 bonds (distance) P-C4' energy: -145.400 flat angles C4'-P-C4' energy: -201.759 flat angles P-C4'-P energy: -115.691 tors. eta vs tors. theta energy: -234.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2530.364349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.364349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.364349 (E_RNA) where: Base-Base interactions energy: -1744.808 where: short stacking energy: -758.195 Base-Backbone interact. energy: -0.940 local terms energy: -784.616806 where: bonds (distance) C4'-P energy: -161.740 bonds (distance) P-C4' energy: -146.624 flat angles C4'-P-C4' energy: -174.679 flat angles P-C4'-P energy: -108.985 tors. eta vs tors. theta energy: -192.589 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: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2397.485559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2397.485559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2397.485559 (E_RNA) where: Base-Base interactions energy: -1648.253 where: short stacking energy: -717.442 Base-Backbone interact. energy: -1.985 local terms energy: -747.247630 where: bonds (distance) C4'-P energy: -142.182 bonds (distance) P-C4' energy: -154.250 flat angles C4'-P-C4' energy: -166.135 flat angles P-C4'-P energy: -119.365 tors. eta vs tors. theta energy: -165.316 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: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -2145.411903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.411903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.411903 (E_RNA) where: Base-Base interactions energy: -1444.369 where: short stacking energy: -645.197 Base-Backbone interact. energy: -2.101 local terms energy: -698.942051 where: bonds (distance) C4'-P energy: -136.452 bonds (distance) P-C4' energy: -167.256 flat angles C4'-P-C4' energy: -171.743 flat angles P-C4'-P energy: -86.811 tors. eta vs tors. theta energy: -136.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1681.803268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.803268 (E_RNA) where: Base-Base interactions energy: -1103.909 where: short stacking energy: -504.612 Base-Backbone interact. energy: -0.127 local terms energy: -577.767274 where: bonds (distance) C4'-P energy: -130.835 bonds (distance) P-C4' energy: -138.270 flat angles C4'-P-C4' energy: -124.277 flat angles P-C4'-P energy: -98.341 tors. eta vs tors. theta energy: -86.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1184.710889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.710889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.710889 (E_RNA) where: Base-Base interactions energy: -696.374 where: short stacking energy: -384.149 Base-Backbone interact. energy: 3.595 local terms energy: -491.931615 where: bonds (distance) C4'-P energy: -89.598 bonds (distance) P-C4' energy: -156.903 flat angles C4'-P-C4' energy: -117.951 flat angles P-C4'-P energy: -89.435 tors. eta vs tors. theta energy: -38.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3299.615425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.615425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.615425 (E_RNA) where: Base-Base interactions energy: -2310.632 where: short stacking energy: -985.473 Base-Backbone interact. energy: -2.835 local terms energy: -986.148375 where: bonds (distance) C4'-P energy: -174.427 bonds (distance) P-C4' energy: -199.116 flat angles C4'-P-C4' energy: -214.998 flat angles P-C4'-P energy: -134.648 tors. eta vs tors. theta energy: -262.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -3179.193617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.193617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.193617 (E_RNA) where: Base-Base interactions energy: -2229.479 where: short stacking energy: -918.736 Base-Backbone interact. energy: -2.162 local terms energy: -947.552967 where: bonds (distance) C4'-P energy: -175.684 bonds (distance) P-C4' energy: -169.224 flat angles C4'-P-C4' energy: -209.008 flat angles P-C4'-P energy: -153.728 tors. eta vs tors. theta energy: -239.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -3074.270251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.270251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.270251 (E_RNA) where: Base-Base interactions energy: -2179.121 where: short stacking energy: -895.286 Base-Backbone interact. energy: 0.329 local terms energy: -895.478072 where: bonds (distance) C4'-P energy: -158.548 bonds (distance) P-C4' energy: -189.165 flat angles C4'-P-C4' energy: -200.310 flat angles P-C4'-P energy: -121.932 tors. eta vs tors. theta energy: -225.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2997.433710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.433710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.433710 (E_RNA) where: Base-Base interactions energy: -2100.182 where: short stacking energy: -884.046 Base-Backbone interact. energy: 4.497 local terms energy: -901.748879 where: bonds (distance) C4'-P energy: -160.176 bonds (distance) P-C4' energy: -186.255 flat angles C4'-P-C4' energy: -203.157 flat angles P-C4'-P energy: -116.370 tors. eta vs tors. theta energy: -235.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2798.980784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.980784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.980784 (E_RNA) where: Base-Base interactions energy: -1923.957 where: short stacking energy: -867.392 Base-Backbone interact. energy: -2.164 local terms energy: -872.859595 where: bonds (distance) C4'-P energy: -149.903 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -185.480 flat angles P-C4'-P energy: -124.116 tors. eta vs tors. theta energy: -242.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2505.292474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.292474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.292474 (E_RNA) where: Base-Base interactions energy: -1725.968 where: short stacking energy: -753.788 Base-Backbone interact. energy: -2.889 local terms energy: -776.435028 where: bonds (distance) C4'-P energy: -129.326 bonds (distance) P-C4' energy: -178.421 flat angles C4'-P-C4' energy: -173.338 flat angles P-C4'-P energy: -118.349 tors. eta vs tors. theta energy: -177.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2376.344132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.344132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.344132 (E_RNA) where: Base-Base interactions energy: -1628.944 where: short stacking energy: -687.227 Base-Backbone interact. energy: 1.687 local terms energy: -749.086636 where: bonds (distance) C4'-P energy: -152.364 bonds (distance) P-C4' energy: -158.825 flat angles C4'-P-C4' energy: -172.444 flat angles P-C4'-P energy: -112.509 tors. eta vs tors. theta energy: -152.945 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: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -2139.257000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.257000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.257000 (E_RNA) where: Base-Base interactions energy: -1448.509 where: short stacking energy: -638.501 Base-Backbone interact. energy: -0.811 local terms energy: -689.937519 where: bonds (distance) C4'-P energy: -142.091 bonds (distance) P-C4' energy: -149.664 flat angles C4'-P-C4' energy: -151.854 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -141.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1764.230430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.230430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.230430 (E_RNA) where: Base-Base interactions energy: -1099.048 where: short stacking energy: -510.891 Base-Backbone interact. energy: -2.477 local terms energy: -662.705732 where: bonds (distance) C4'-P energy: -138.317 bonds (distance) P-C4' energy: -148.804 flat angles C4'-P-C4' energy: -166.021 flat angles P-C4'-P energy: -110.080 tors. eta vs tors. theta energy: -99.484 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: 9 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1156.239961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.239961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.239961 (E_RNA) where: Base-Base interactions energy: -652.442 where: short stacking energy: -358.574 Base-Backbone interact. energy: 1.882 local terms energy: -505.679522 where: bonds (distance) C4'-P energy: -136.751 bonds (distance) P-C4' energy: -159.242 flat angles C4'-P-C4' energy: -130.316 flat angles P-C4'-P energy: -74.427 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3308.630618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3308.630618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3308.630618 (E_RNA) where: Base-Base interactions energy: -2326.385 where: short stacking energy: -960.996 Base-Backbone interact. energy: -5.070 local terms energy: -977.174793 where: bonds (distance) C4'-P energy: -174.494 bonds (distance) P-C4' energy: -191.326 flat angles C4'-P-C4' energy: -213.075 flat angles P-C4'-P energy: -129.351 tors. eta vs tors. theta energy: -268.928 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: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -3211.382026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.382026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.382026 (E_RNA) where: Base-Base interactions energy: -2255.115 where: short stacking energy: -922.365 Base-Backbone interact. energy: -5.872 local terms energy: -950.395256 where: bonds (distance) C4'-P energy: -172.466 bonds (distance) P-C4' energy: -182.247 flat angles C4'-P-C4' energy: -201.491 flat angles P-C4'-P energy: -146.947 tors. eta vs tors. theta energy: -247.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -3083.326962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.326962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.326962 (E_RNA) where: Base-Base interactions energy: -2177.573 where: short stacking energy: -919.284 Base-Backbone interact. energy: -6.483 local terms energy: -899.270702 where: bonds (distance) C4'-P energy: -168.359 bonds (distance) P-C4' energy: -173.020 flat angles C4'-P-C4' energy: -193.909 flat angles P-C4'-P energy: -127.108 tors. eta vs tors. theta energy: -236.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2940.805102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.805102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.805102 (E_RNA) where: Base-Base interactions energy: -2054.974 where: short stacking energy: -869.065 Base-Backbone interact. energy: -1.205 local terms energy: -884.626004 where: bonds (distance) C4'-P energy: -154.031 bonds (distance) P-C4' energy: -187.771 flat angles C4'-P-C4' energy: -195.695 flat angles P-C4'-P energy: -113.685 tors. eta vs tors. theta energy: -233.444 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: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2756.893467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.893467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.893467 (E_RNA) where: Base-Base interactions energy: -1893.815 where: short stacking energy: -834.253 Base-Backbone interact. energy: -2.396 local terms energy: -860.682697 where: bonds (distance) C4'-P energy: -155.493 bonds (distance) P-C4' energy: -171.264 flat angles C4'-P-C4' energy: -178.598 flat angles P-C4'-P energy: -127.482 tors. eta vs tors. theta energy: -227.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2605.010986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.010986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.010986 (E_RNA) where: Base-Base interactions energy: -1762.726 where: short stacking energy: -782.930 Base-Backbone interact. energy: -3.140 local terms energy: -839.145194 where: bonds (distance) C4'-P energy: -148.504 bonds (distance) P-C4' energy: -167.979 flat angles C4'-P-C4' energy: -190.882 flat angles P-C4'-P energy: -117.690 tors. eta vs tors. theta energy: -214.090 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: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2345.154562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.154562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.154562 (E_RNA) where: Base-Base interactions energy: -1625.354 where: short stacking energy: -686.748 Base-Backbone interact. energy: 2.392 local terms energy: -722.192067 where: bonds (distance) C4'-P energy: -153.338 bonds (distance) P-C4' energy: -149.935 flat angles C4'-P-C4' energy: -169.749 flat angles P-C4'-P energy: -89.240 tors. eta vs tors. theta energy: -159.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -2238.058146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.058146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.058146 (E_RNA) where: Base-Base interactions energy: -1537.533 where: short stacking energy: -687.844 Base-Backbone interact. energy: 9.485 local terms energy: -710.009567 where: bonds (distance) C4'-P energy: -125.774 bonds (distance) P-C4' energy: -165.352 flat angles C4'-P-C4' energy: -158.002 flat angles P-C4'-P energy: -107.505 tors. eta vs tors. theta energy: -153.378 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: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1773.137059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.137059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.137059 (E_RNA) where: Base-Base interactions energy: -1149.339 where: short stacking energy: -558.379 Base-Backbone interact. energy: -3.363 local terms energy: -620.435529 where: bonds (distance) C4'-P energy: -154.894 bonds (distance) P-C4' energy: -148.032 flat angles C4'-P-C4' energy: -145.221 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -94.265 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1302.077792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.077792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.077792 (E_RNA) where: Base-Base interactions energy: -796.247 where: short stacking energy: -388.734 Base-Backbone interact. energy: 2.440 local terms energy: -508.270296 where: bonds (distance) C4'-P energy: -135.943 bonds (distance) P-C4' energy: -156.931 flat angles C4'-P-C4' energy: -123.032 flat angles P-C4'-P energy: -81.215 tors. eta vs tors. theta energy: -11.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3264.237434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.237434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.237434 (E_RNA) where: Base-Base interactions energy: -2296.539 where: short stacking energy: -973.025 Base-Backbone interact. energy: -3.189 local terms energy: -964.509745 where: bonds (distance) C4'-P energy: -170.450 bonds (distance) P-C4' energy: -190.569 flat angles C4'-P-C4' energy: -205.409 flat angles P-C4'-P energy: -129.152 tors. eta vs tors. theta energy: -268.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -3193.261425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.261425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.261425 (E_RNA) where: Base-Base interactions energy: -2258.942 where: short stacking energy: -956.313 Base-Backbone interact. energy: -5.599 local terms energy: -928.720567 where: bonds (distance) C4'-P energy: -164.304 bonds (distance) P-C4' energy: -191.062 flat angles C4'-P-C4' energy: -205.268 flat angles P-C4'-P energy: -117.171 tors. eta vs tors. theta energy: -250.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -3070.912438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.912438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.912438 (E_RNA) where: Base-Base interactions energy: -2183.357 where: short stacking energy: -903.101 Base-Backbone interact. energy: 4.635 local terms energy: -892.190469 where: bonds (distance) C4'-P energy: -164.147 bonds (distance) P-C4' energy: -168.445 flat angles C4'-P-C4' energy: -195.929 flat angles P-C4'-P energy: -131.780 tors. eta vs tors. theta energy: -231.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2961.575759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.575759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.575759 (E_RNA) where: Base-Base interactions energy: -2068.918 where: short stacking energy: -850.353 Base-Backbone interact. energy: -3.273 local terms energy: -889.384496 where: bonds (distance) C4'-P energy: -162.859 bonds (distance) P-C4' energy: -166.178 flat angles C4'-P-C4' energy: -202.939 flat angles P-C4'-P energy: -119.159 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: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2797.532832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.532832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.532832 (E_RNA) where: Base-Base interactions energy: -1924.086 where: short stacking energy: -843.135 Base-Backbone interact. energy: -1.207 local terms energy: -872.239734 where: bonds (distance) C4'-P energy: -166.887 bonds (distance) P-C4' energy: -175.800 flat angles C4'-P-C4' energy: -185.478 flat angles P-C4'-P energy: -119.464 tors. eta vs tors. theta energy: -224.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2540.101611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.101611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.101611 (E_RNA) where: Base-Base interactions energy: -1742.906 where: short stacking energy: -758.753 Base-Backbone interact. energy: 2.537 local terms energy: -799.732471 where: bonds (distance) C4'-P energy: -157.468 bonds (distance) P-C4' energy: -153.247 flat angles C4'-P-C4' energy: -176.905 flat angles P-C4'-P energy: -114.864 tors. eta vs tors. theta energy: -197.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2367.221024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.221024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.221024 (E_RNA) where: Base-Base interactions energy: -1622.518 where: short stacking energy: -685.162 Base-Backbone interact. energy: -1.732 local terms energy: -742.970906 where: bonds (distance) C4'-P energy: -156.443 bonds (distance) P-C4' energy: -153.911 flat angles C4'-P-C4' energy: -177.391 flat angles P-C4'-P energy: -100.825 tors. eta vs tors. theta energy: -154.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -2306.134891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.134891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.134891 (E_RNA) where: Base-Base interactions energy: -1596.423 where: short stacking energy: -675.791 Base-Backbone interact. energy: 5.685 local terms energy: -715.397080 where: bonds (distance) C4'-P energy: -137.860 bonds (distance) P-C4' energy: -158.376 flat angles C4'-P-C4' energy: -161.165 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -156.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1754.679059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.679059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.679059 (E_RNA) where: Base-Base interactions energy: -1128.558 where: short stacking energy: -501.885 Base-Backbone interact. energy: -0.081 local terms energy: -626.040295 where: bonds (distance) C4'-P energy: -133.351 bonds (distance) P-C4' energy: -167.049 flat angles C4'-P-C4' energy: -157.617 flat angles P-C4'-P energy: -106.026 tors. eta vs tors. theta energy: -61.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1231.087488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.087488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.087488 (E_RNA) where: Base-Base interactions energy: -761.766 where: short stacking energy: -351.211 Base-Backbone interact. energy: 8.730 local terms energy: -478.051969 where: bonds (distance) C4'-P energy: -136.826 bonds (distance) P-C4' energy: -142.604 flat angles C4'-P-C4' energy: -125.304 flat angles P-C4'-P energy: -63.084 tors. eta vs tors. theta energy: -10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3270.078695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.078695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.078695 (E_RNA) where: Base-Base interactions energy: -2310.238 where: short stacking energy: -990.235 Base-Backbone interact. energy: -5.495 local terms energy: -954.346505 where: bonds (distance) C4'-P energy: -165.883 bonds (distance) P-C4' energy: -185.795 flat angles C4'-P-C4' energy: -206.799 flat angles P-C4'-P energy: -135.136 tors. eta vs tors. theta energy: -260.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -3215.021196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.021196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.021196 (E_RNA) where: Base-Base interactions energy: -2257.639 where: short stacking energy: -960.548 Base-Backbone interact. energy: -1.039 local terms energy: -956.343428 where: bonds (distance) C4'-P energy: -175.787 bonds (distance) P-C4' energy: -175.504 flat angles C4'-P-C4' energy: -203.963 flat angles P-C4'-P energy: -142.113 tors. eta vs tors. theta energy: -258.975 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: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -3047.452762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.452762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.452762 (E_RNA) where: Base-Base interactions energy: -2132.459 where: short stacking energy: -929.541 Base-Backbone interact. energy: -0.390 local terms energy: -914.603747 where: bonds (distance) C4'-P energy: -178.232 bonds (distance) P-C4' energy: -184.228 flat angles C4'-P-C4' energy: -197.258 flat angles P-C4'-P energy: -123.753 tors. eta vs tors. theta energy: -231.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2958.896619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.896619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.896619 (E_RNA) where: Base-Base interactions energy: -2059.282 where: short stacking energy: -851.099 Base-Backbone interact. energy: -3.908 local terms energy: -895.706063 where: bonds (distance) C4'-P energy: -168.898 bonds (distance) P-C4' energy: -183.989 flat angles C4'-P-C4' energy: -192.255 flat angles P-C4'-P energy: -122.230 tors. eta vs tors. theta energy: -228.334 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: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2820.439053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.439053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.439053 (E_RNA) where: Base-Base interactions energy: -1968.563 where: short stacking energy: -861.550 Base-Backbone interact. energy: 2.308 local terms energy: -854.183848 where: bonds (distance) C4'-P energy: -155.085 bonds (distance) P-C4' energy: -155.047 flat angles C4'-P-C4' energy: -198.376 flat angles P-C4'-P energy: -117.080 tors. eta vs tors. theta energy: -228.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2569.051132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.051132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.051132 (E_RNA) where: Base-Base interactions energy: -1744.784 where: short stacking energy: -771.518 Base-Backbone interact. energy: -3.352 local terms energy: -820.915236 where: bonds (distance) C4'-P energy: -164.905 bonds (distance) P-C4' energy: -165.863 flat angles C4'-P-C4' energy: -171.865 flat angles P-C4'-P energy: -113.754 tors. eta vs tors. theta energy: -204.529 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: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2449.758170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.758170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.758170 (E_RNA) where: Base-Base interactions energy: -1748.547 where: short stacking energy: -709.050 Base-Backbone interact. energy: -2.970 local terms energy: -698.241699 where: bonds (distance) C4'-P energy: -130.126 bonds (distance) P-C4' energy: -146.258 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -88.165 tors. eta vs tors. theta energy: -178.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2235.140643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.140643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.140643 (E_RNA) where: Base-Base interactions energy: -1523.734 where: short stacking energy: -666.461 Base-Backbone interact. energy: -0.012 local terms energy: -711.394331 where: bonds (distance) C4'-P energy: -148.915 bonds (distance) P-C4' energy: -163.929 flat angles C4'-P-C4' energy: -169.904 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -146.584 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: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1879.269601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.269601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.269601 (E_RNA) where: Base-Base interactions energy: -1208.318 where: short stacking energy: -581.436 Base-Backbone interact. energy: 0.968 local terms energy: -671.920120 where: bonds (distance) C4'-P energy: -132.245 bonds (distance) P-C4' energy: -149.857 flat angles C4'-P-C4' energy: -165.668 flat angles P-C4'-P energy: -89.157 tors. eta vs tors. theta energy: -134.992 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: 9 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1325.841565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.841565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.841565 (E_RNA) where: Base-Base interactions energy: -833.715 where: short stacking energy: -392.956 Base-Backbone interact. energy: -0.130 local terms energy: -491.996867 where: bonds (distance) C4'-P energy: -112.395 bonds (distance) P-C4' energy: -142.470 flat angles C4'-P-C4' energy: -122.928 flat angles P-C4'-P energy: -88.419 tors. eta vs tors. theta energy: -25.786 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3252.867199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.867199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.867199 (E_RNA) where: Base-Base interactions energy: -2243.215 where: short stacking energy: -968.956 Base-Backbone interact. energy: -5.953 local terms energy: -1003.699720 where: bonds (distance) C4'-P energy: -189.886 bonds (distance) P-C4' energy: -186.900 flat angles C4'-P-C4' energy: -211.205 flat angles P-C4'-P energy: -147.650 tors. eta vs tors. theta energy: -268.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -3237.694134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.694134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.694134 (E_RNA) where: Base-Base interactions energy: -2284.913 where: short stacking energy: -976.358 Base-Backbone interact. energy: -3.066 local terms energy: -949.715542 where: bonds (distance) C4'-P energy: -172.268 bonds (distance) P-C4' energy: -182.020 flat angles C4'-P-C4' energy: -198.893 flat angles P-C4'-P energy: -122.200 tors. eta vs tors. theta energy: -274.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -3087.102544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.102544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.102544 (E_RNA) where: Base-Base interactions energy: -2157.332 where: short stacking energy: -910.796 Base-Backbone interact. energy: -5.991 local terms energy: -923.779188 where: bonds (distance) C4'-P energy: -174.754 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -209.733 flat angles P-C4'-P energy: -142.253 tors. eta vs tors. theta energy: -237.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2907.842362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.842362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.842362 (E_RNA) where: Base-Base interactions energy: -2016.546 where: short stacking energy: -851.203 Base-Backbone interact. energy: 0.608 local terms energy: -891.904856 where: bonds (distance) C4'-P energy: -172.333 bonds (distance) P-C4' energy: -163.574 flat angles C4'-P-C4' energy: -201.187 flat angles P-C4'-P energy: -131.768 tors. eta vs tors. theta energy: -223.043 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: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2809.908744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.908744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.908744 (E_RNA) where: Base-Base interactions energy: -1926.240 where: short stacking energy: -832.204 Base-Backbone interact. energy: -5.350 local terms energy: -878.318979 where: bonds (distance) C4'-P energy: -171.317 bonds (distance) P-C4' energy: -176.197 flat angles C4'-P-C4' energy: -179.461 flat angles P-C4'-P energy: -116.813 tors. eta vs tors. theta energy: -234.531 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: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2548.792647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.792647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.792647 (E_RNA) where: Base-Base interactions energy: -1762.935 where: short stacking energy: -766.502 Base-Backbone interact. energy: -0.696 local terms energy: -785.160904 where: bonds (distance) C4'-P energy: -150.455 bonds (distance) P-C4' energy: -161.147 flat angles C4'-P-C4' energy: -171.966 flat angles P-C4'-P energy: -127.935 tors. eta vs tors. theta energy: -173.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2480.794279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.794279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.794279 (E_RNA) where: Base-Base interactions energy: -1710.989 where: short stacking energy: -713.603 Base-Backbone interact. energy: 13.170 local terms energy: -782.975795 where: bonds (distance) C4'-P energy: -175.125 bonds (distance) P-C4' energy: -163.733 flat angles C4'-P-C4' energy: -164.320 flat angles P-C4'-P energy: -124.493 tors. eta vs tors. theta energy: -155.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -2266.206113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.206113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.206113 (E_RNA) where: Base-Base interactions energy: -1588.255 where: short stacking energy: -691.992 Base-Backbone interact. energy: -1.189 local terms energy: -676.761193 where: bonds (distance) C4'-P energy: -135.373 bonds (distance) P-C4' energy: -140.577 flat angles C4'-P-C4' energy: -154.395 flat angles P-C4'-P energy: -104.817 tors. eta vs tors. theta energy: -141.600 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: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1789.839148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.839148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.839148 (E_RNA) where: Base-Base interactions energy: -1149.853 where: short stacking energy: -537.023 Base-Backbone interact. energy: 1.306 local terms energy: -641.292680 where: bonds (distance) C4'-P energy: -146.848 bonds (distance) P-C4' energy: -137.517 flat angles C4'-P-C4' energy: -161.758 flat angles P-C4'-P energy: -83.681 tors. eta vs tors. theta energy: -111.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1347.754745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.754745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.754745 (E_RNA) where: Base-Base interactions energy: -825.736 where: short stacking energy: -386.551 Base-Backbone interact. energy: 3.376 local terms energy: -525.395217 where: bonds (distance) C4'-P energy: -142.617 bonds (distance) P-C4' energy: -145.307 flat angles C4'-P-C4' energy: -127.408 flat angles P-C4'-P energy: -92.248 tors. eta vs tors. theta energy: -17.815 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: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3254.214032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.214032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.214032 (E_RNA) where: Base-Base interactions energy: -2296.759 where: short stacking energy: -955.022 Base-Backbone interact. energy: -3.374 local terms energy: -954.080933 where: bonds (distance) C4'-P energy: -175.179 bonds (distance) P-C4' energy: -192.231 flat angles C4'-P-C4' energy: -209.042 flat angles P-C4'-P energy: -126.182 tors. eta vs tors. theta energy: -251.448 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: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -3274.465310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.465310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.465310 (E_RNA) where: Base-Base interactions energy: -2296.585 where: short stacking energy: -965.025 Base-Backbone interact. energy: -5.063 local terms energy: -972.817150 where: bonds (distance) C4'-P energy: -183.912 bonds (distance) P-C4' energy: -184.065 flat angles C4'-P-C4' energy: -212.090 flat angles P-C4'-P energy: -132.215 tors. eta vs tors. theta energy: -260.536 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: 150 Temperature: 1.000000 Total energy: -3076.981104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.981104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.981104 (E_RNA) where: Base-Base interactions energy: -2160.677 where: short stacking energy: -899.915 Base-Backbone interact. energy: -4.654 local terms energy: -911.650576 where: bonds (distance) C4'-P energy: -164.923 bonds (distance) P-C4' energy: -176.267 flat angles C4'-P-C4' energy: -214.084 flat angles P-C4'-P energy: -139.559 tors. eta vs tors. theta energy: -216.818 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: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2931.028921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.028921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.028921 (E_RNA) where: Base-Base interactions energy: -2049.639 where: short stacking energy: -844.873 Base-Backbone interact. energy: -2.926 local terms energy: -878.463411 where: bonds (distance) C4'-P energy: -151.638 bonds (distance) P-C4' energy: -181.746 flat angles C4'-P-C4' energy: -196.481 flat angles P-C4'-P energy: -125.043 tors. eta vs tors. theta energy: -223.554 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: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2875.057580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.057580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.057580 (E_RNA) where: Base-Base interactions energy: -1965.678 where: short stacking energy: -823.495 Base-Backbone interact. energy: -7.209 local terms energy: -902.170745 where: bonds (distance) C4'-P energy: -167.729 bonds (distance) P-C4' energy: -170.707 flat angles C4'-P-C4' energy: -193.598 flat angles P-C4'-P energy: -133.157 tors. eta vs tors. theta energy: -236.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2593.065403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.065403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.065403 (E_RNA) where: Base-Base interactions energy: -1744.816 where: short stacking energy: -748.444 Base-Backbone interact. energy: -1.455 local terms energy: -846.794368 where: bonds (distance) C4'-P energy: -169.794 bonds (distance) P-C4' energy: -170.550 flat angles C4'-P-C4' energy: -190.068 flat angles P-C4'-P energy: -122.698 tors. eta vs tors. theta energy: -193.684 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: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2395.087935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2395.087935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2395.087935 (E_RNA) where: Base-Base interactions energy: -1696.996 where: short stacking energy: -715.757 Base-Backbone interact. energy: -0.829 local terms energy: -697.263340 where: bonds (distance) C4'-P energy: -131.970 bonds (distance) P-C4' energy: -176.640 flat angles C4'-P-C4' energy: -158.726 flat angles P-C4'-P energy: -79.390 tors. eta vs tors. theta energy: -150.538 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: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -2242.075210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.075210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.075210 (E_RNA) where: Base-Base interactions energy: -1516.103 where: short stacking energy: -628.678 Base-Backbone interact. energy: 7.899 local terms energy: -733.870806 where: bonds (distance) C4'-P energy: -152.983 bonds (distance) P-C4' energy: -171.647 flat angles C4'-P-C4' energy: -143.067 flat angles P-C4'-P energy: -112.429 tors. eta vs tors. theta energy: -153.745 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: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1918.100691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.100691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.100691 (E_RNA) where: Base-Base interactions energy: -1240.175 where: short stacking energy: -559.600 Base-Backbone interact. energy: -5.011 local terms energy: -672.914541 where: bonds (distance) C4'-P energy: -159.925 bonds (distance) P-C4' energy: -157.403 flat angles C4'-P-C4' energy: -158.234 flat angles P-C4'-P energy: -88.069 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1352.697676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.697676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.697676 (E_RNA) where: Base-Base interactions energy: -846.743 where: short stacking energy: -428.959 Base-Backbone interact. energy: 1.102 local terms energy: -507.056880 where: bonds (distance) C4'-P energy: -131.383 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -118.512 flat angles P-C4'-P energy: -68.642 tors. eta vs tors. theta energy: -47.634 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: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3280.923593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.923593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.923593 (E_RNA) where: Base-Base interactions energy: -2287.767 where: short stacking energy: -984.971 Base-Backbone interact. energy: -2.445 local terms energy: -990.711139 where: bonds (distance) C4'-P energy: -198.824 bonds (distance) P-C4' energy: -195.232 flat angles C4'-P-C4' energy: -198.523 flat angles P-C4'-P energy: -133.788 tors. eta vs tors. theta energy: -264.344 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: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -3257.566585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.566585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.566585 (E_RNA) where: Base-Base interactions energy: -2290.916 where: short stacking energy: -955.713 Base-Backbone interact. energy: -6.598 local terms energy: -960.052536 where: bonds (distance) C4'-P energy: -179.259 bonds (distance) P-C4' energy: -166.383 flat angles C4'-P-C4' energy: -200.411 flat angles P-C4'-P energy: -157.745 tors. eta vs tors. theta energy: -256.255 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: 5 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -3076.532385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.532385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.532385 (E_RNA) where: Base-Base interactions energy: -2164.916 where: short stacking energy: -900.195 Base-Backbone interact. energy: 1.582 local terms energy: -913.198803 where: bonds (distance) C4'-P energy: -165.063 bonds (distance) P-C4' energy: -189.448 flat angles C4'-P-C4' energy: -196.482 flat angles P-C4'-P energy: -128.857 tors. eta vs tors. theta energy: -233.349 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2971.296564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.296564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.296564 (E_RNA) where: Base-Base interactions energy: -2076.545 where: short stacking energy: -857.485 Base-Backbone interact. energy: -3.261 local terms energy: -891.490433 where: bonds (distance) C4'-P energy: -182.243 bonds (distance) P-C4' energy: -167.545 flat angles C4'-P-C4' energy: -191.421 flat angles P-C4'-P energy: -131.880 tors. eta vs tors. theta energy: -218.401 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: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2815.141788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.141788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.141788 (E_RNA) where: Base-Base interactions energy: -1928.160 where: short stacking energy: -828.779 Base-Backbone interact. energy: -4.828 local terms energy: -882.154349 where: bonds (distance) C4'-P energy: -164.079 bonds (distance) P-C4' energy: -175.710 flat angles C4'-P-C4' energy: -190.150 flat angles P-C4'-P energy: -123.061 tors. eta vs tors. theta energy: -229.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2582.552037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.552037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.552037 (E_RNA) where: Base-Base interactions energy: -1763.387 where: short stacking energy: -775.172 Base-Backbone interact. energy: -2.256 local terms energy: -816.908403 where: bonds (distance) C4'-P energy: -161.320 bonds (distance) P-C4' energy: -154.382 flat angles C4'-P-C4' energy: -184.355 flat angles P-C4'-P energy: -117.794 tors. eta vs tors. theta energy: -199.057 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: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2371.917490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.917490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.917490 (E_RNA) where: Base-Base interactions energy: -1639.486 where: short stacking energy: -670.837 Base-Backbone interact. energy: 2.600 local terms energy: -735.031696 where: bonds (distance) C4'-P energy: -158.863 bonds (distance) P-C4' energy: -160.436 flat angles C4'-P-C4' energy: -171.414 flat angles P-C4'-P energy: -107.472 tors. eta vs tors. theta energy: -136.846 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: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -2235.030682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.030682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.030682 (E_RNA) where: Base-Base interactions energy: -1535.506 where: short stacking energy: -653.822 Base-Backbone interact. energy: 2.714 local terms energy: -702.238829 where: bonds (distance) C4'-P energy: -138.527 bonds (distance) P-C4' energy: -130.202 flat angles C4'-P-C4' energy: -181.179 flat angles P-C4'-P energy: -108.524 tors. eta vs tors. theta energy: -143.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1830.682046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.682046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.682046 (E_RNA) where: Base-Base interactions energy: -1225.932 where: short stacking energy: -559.925 Base-Backbone interact. energy: 4.207 local terms energy: -608.957292 where: bonds (distance) C4'-P energy: -126.593 bonds (distance) P-C4' energy: -145.424 flat angles C4'-P-C4' energy: -145.121 flat angles P-C4'-P energy: -95.955 tors. eta vs tors. theta energy: -95.864 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: 9 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1240.035673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.035673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.035673 (E_RNA) where: Base-Base interactions energy: -764.463 where: short stacking energy: -384.895 Base-Backbone interact. energy: 9.165 local terms energy: -484.738527 where: bonds (distance) C4'-P energy: -118.638 bonds (distance) P-C4' energy: -137.555 flat angles C4'-P-C4' energy: -122.281 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -25.152 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: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3296.237968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.237968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.237968 (E_RNA) where: Base-Base interactions energy: -2309.361 where: short stacking energy: -986.577 Base-Backbone interact. energy: -7.930 local terms energy: -978.947160 where: bonds (distance) C4'-P energy: -188.460 bonds (distance) P-C4' energy: -183.125 flat angles C4'-P-C4' energy: -208.853 flat angles P-C4'-P energy: -129.371 tors. eta vs tors. theta energy: -269.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -3231.235194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.235194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.235194 (E_RNA) where: Base-Base interactions energy: -2281.041 where: short stacking energy: -945.301 Base-Backbone interact. energy: -4.782 local terms energy: -945.412301 where: bonds (distance) C4'-P energy: -162.416 bonds (distance) P-C4' energy: -192.699 flat angles C4'-P-C4' energy: -215.870 flat angles P-C4'-P energy: -137.231 tors. eta vs tors. theta energy: -237.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -3109.435850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.435850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.435850 (E_RNA) where: Base-Base interactions energy: -2184.569 where: short stacking energy: -922.771 Base-Backbone interact. energy: -3.101 local terms energy: -921.766164 where: bonds (distance) C4'-P energy: -180.373 bonds (distance) P-C4' energy: -159.456 flat angles C4'-P-C4' energy: -200.293 flat angles P-C4'-P energy: -145.721 tors. eta vs tors. theta energy: -235.924 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: 4, replica: 6 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2993.097724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.097724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.097724 (E_RNA) where: Base-Base interactions energy: -2071.079 where: short stacking energy: -858.832 Base-Backbone interact. energy: -4.537 local terms energy: -917.481789 where: bonds (distance) C4'-P energy: -169.001 bonds (distance) P-C4' energy: -184.019 flat angles C4'-P-C4' energy: -202.976 flat angles P-C4'-P energy: -125.677 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: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2727.355866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.355866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.355866 (E_RNA) where: Base-Base interactions energy: -1904.187 where: short stacking energy: -823.193 Base-Backbone interact. energy: -2.583 local terms energy: -820.586025 where: bonds (distance) C4'-P energy: -169.685 bonds (distance) P-C4' energy: -163.700 flat angles C4'-P-C4' energy: -181.339 flat angles P-C4'-P energy: -107.139 tors. eta vs tors. theta energy: -198.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2552.111221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.111221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.111221 (E_RNA) where: Base-Base interactions energy: -1759.482 where: short stacking energy: -766.873 Base-Backbone interact. energy: -5.767 local terms energy: -786.861975 where: bonds (distance) C4'-P energy: -158.157 bonds (distance) P-C4' energy: -170.581 flat angles C4'-P-C4' energy: -179.402 flat angles P-C4'-P energy: -98.821 tors. eta vs tors. theta energy: -179.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2234.200600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.200600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.200600 (E_RNA) where: Base-Base interactions energy: -1523.414 where: short stacking energy: -669.116 Base-Backbone interact. energy: -0.835 local terms energy: -709.950855 where: bonds (distance) C4'-P energy: -148.958 bonds (distance) P-C4' energy: -156.065 flat angles C4'-P-C4' energy: -172.908 flat angles P-C4'-P energy: -94.417 tors. eta vs tors. theta energy: -137.602 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: 10 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2329.544652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.544652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.544652 (E_RNA) where: Base-Base interactions energy: -1615.036 where: short stacking energy: -689.282 Base-Backbone interact. energy: 1.036 local terms energy: -715.544062 where: bonds (distance) C4'-P energy: -150.909 bonds (distance) P-C4' energy: -148.021 flat angles C4'-P-C4' energy: -179.088 flat angles P-C4'-P energy: -103.143 tors. eta vs tors. theta energy: -134.383 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: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1883.878266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.878266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.878266 (E_RNA) where: Base-Base interactions energy: -1243.778 where: short stacking energy: -564.326 Base-Backbone interact. energy: -2.132 local terms energy: -637.967429 where: bonds (distance) C4'-P energy: -150.356 bonds (distance) P-C4' energy: -136.742 flat angles C4'-P-C4' energy: -143.662 flat angles P-C4'-P energy: -97.407 tors. eta vs tors. theta energy: -109.800 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: 9 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1286.716641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.716641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.716641 (E_RNA) where: Base-Base interactions energy: -757.239 where: short stacking energy: -364.343 Base-Backbone interact. energy: -0.523 local terms energy: -528.954257 where: bonds (distance) C4'-P energy: -129.220 bonds (distance) P-C4' energy: -150.869 flat angles C4'-P-C4' energy: -151.391 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: -27.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3339.016506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.016506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.016506 (E_RNA) where: Base-Base interactions energy: -2350.256 where: short stacking energy: -990.467 Base-Backbone interact. energy: -7.028 local terms energy: -981.731795 where: bonds (distance) C4'-P energy: -200.019 bonds (distance) P-C4' energy: -184.971 flat angles C4'-P-C4' energy: -204.993 flat angles P-C4'-P energy: -122.212 tors. eta vs tors. theta energy: -269.537 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: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -3209.934516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.934516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.934516 (E_RNA) where: Base-Base interactions energy: -2279.478 where: short stacking energy: -955.735 Base-Backbone interact. energy: -6.659 local terms energy: -923.798053 where: bonds (distance) C4'-P energy: -168.571 bonds (distance) P-C4' energy: -177.425 flat angles C4'-P-C4' energy: -201.045 flat angles P-C4'-P energy: -129.252 tors. eta vs tors. theta energy: -247.506 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: 153 Temperature: 1.000000 Total energy: -3117.122815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.122815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.122815 (E_RNA) where: Base-Base interactions energy: -2230.176 where: short stacking energy: -937.718 Base-Backbone interact. energy: -2.206 local terms energy: -884.740267 where: bonds (distance) C4'-P energy: -170.247 bonds (distance) P-C4' energy: -152.612 flat angles C4'-P-C4' energy: -187.699 flat angles P-C4'-P energy: -135.486 tors. eta vs tors. theta energy: -238.697 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: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2983.532247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.532247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.532247 (E_RNA) where: Base-Base interactions energy: -2085.836 where: short stacking energy: -846.857 Base-Backbone interact. energy: -0.778 local terms energy: -896.918798 where: bonds (distance) C4'-P energy: -178.710 bonds (distance) P-C4' energy: -173.750 flat angles C4'-P-C4' energy: -195.891 flat angles P-C4'-P energy: -116.997 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: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2708.546140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.546140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.546140 (E_RNA) where: Base-Base interactions energy: -1845.106 where: short stacking energy: -809.209 Base-Backbone interact. energy: -4.807 local terms energy: -858.633462 where: bonds (distance) C4'-P energy: -180.807 bonds (distance) P-C4' energy: -169.644 flat angles C4'-P-C4' energy: -174.250 flat angles P-C4'-P energy: -119.738 tors. eta vs tors. theta energy: -214.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2605.559076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.559076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.559076 (E_RNA) where: Base-Base interactions energy: -1772.204 where: short stacking energy: -788.596 Base-Backbone interact. energy: -1.785 local terms energy: -831.570686 where: bonds (distance) C4'-P energy: -173.191 bonds (distance) P-C4' energy: -155.007 flat angles C4'-P-C4' energy: -194.131 flat angles P-C4'-P energy: -124.485 tors. eta vs tors. theta energy: -184.757 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: 7, replica: 7 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2308.968322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.968322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.968322 (E_RNA) where: Base-Base interactions energy: -1600.441 where: short stacking energy: -677.396 Base-Backbone interact. energy: -2.320 local terms energy: -706.207599 where: bonds (distance) C4'-P energy: -153.223 bonds (distance) P-C4' energy: -140.031 flat angles C4'-P-C4' energy: -168.063 flat angles P-C4'-P energy: -72.953 tors. eta vs tors. theta energy: -171.937 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: 153 Temperature: 1.250000 Total energy: -2227.199594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.199594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.199594 (E_RNA) where: Base-Base interactions energy: -1518.005 where: short stacking energy: -652.081 Base-Backbone interact. energy: -4.611 local terms energy: -704.584352 where: bonds (distance) C4'-P energy: -139.216 bonds (distance) P-C4' energy: -165.530 flat angles C4'-P-C4' energy: -165.317 flat angles P-C4'-P energy: -95.522 tors. eta vs tors. theta energy: -139.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1900.047191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.047191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.047191 (E_RNA) where: Base-Base interactions energy: -1233.388 where: short stacking energy: -536.274 Base-Backbone interact. energy: -1.212 local terms energy: -665.447467 where: bonds (distance) C4'-P energy: -149.881 bonds (distance) P-C4' energy: -169.208 flat angles C4'-P-C4' energy: -158.786 flat angles P-C4'-P energy: -87.059 tors. eta vs tors. theta energy: -100.514 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: 9 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1412.414215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.414215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.414215 (E_RNA) where: Base-Base interactions energy: -850.483 where: short stacking energy: -434.838 Base-Backbone interact. energy: -3.246 local terms energy: -558.685475 where: bonds (distance) C4'-P energy: -139.879 bonds (distance) P-C4' energy: -169.383 flat angles C4'-P-C4' energy: -127.869 flat angles P-C4'-P energy: -58.823 tors. eta vs tors. theta energy: -62.732 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: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3294.697347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.697347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.697347 (E_RNA) where: Base-Base interactions energy: -2338.365 where: short stacking energy: -973.764 Base-Backbone interact. energy: -2.205 local terms energy: -954.127358 where: bonds (distance) C4'-P energy: -183.049 bonds (distance) P-C4' energy: -173.880 flat angles C4'-P-C4' energy: -200.089 flat angles P-C4'-P energy: -140.123 tors. eta vs tors. theta energy: -256.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -3229.788955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.788955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.788955 (E_RNA) where: Base-Base interactions energy: -2265.482 where: short stacking energy: -943.762 Base-Backbone interact. energy: -1.665 local terms energy: -962.642097 where: bonds (distance) C4'-P energy: -178.481 bonds (distance) P-C4' energy: -189.378 flat angles C4'-P-C4' energy: -208.757 flat angles P-C4'-P energy: -124.362 tors. eta vs tors. theta energy: -261.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -3054.548570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.548570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.548570 (E_RNA) where: Base-Base interactions energy: -2140.675 where: short stacking energy: -883.321 Base-Backbone interact. energy: 2.020 local terms energy: -915.893361 where: bonds (distance) C4'-P energy: -178.023 bonds (distance) P-C4' energy: -182.595 flat angles C4'-P-C4' energy: -198.968 flat angles P-C4'-P energy: -129.919 tors. eta vs tors. theta energy: -226.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2976.201728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.201728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.201728 (E_RNA) where: Base-Base interactions energy: -2095.663 where: short stacking energy: -875.457 Base-Backbone interact. energy: -8.591 local terms energy: -871.947629 where: bonds (distance) C4'-P energy: -166.348 bonds (distance) P-C4' energy: -160.457 flat angles C4'-P-C4' energy: -182.951 flat angles P-C4'-P energy: -130.952 tors. eta vs tors. theta energy: -231.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2773.988729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.988729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.988729 (E_RNA) where: Base-Base interactions energy: -1935.534 where: short stacking energy: -861.739 Base-Backbone interact. energy: 0.105 local terms energy: -838.559838 where: bonds (distance) C4'-P energy: -165.132 bonds (distance) P-C4' energy: -150.744 flat angles C4'-P-C4' energy: -185.758 flat angles P-C4'-P energy: -118.528 tors. eta vs tors. theta energy: -218.398 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: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -2576.861079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.861079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.861079 (E_RNA) where: Base-Base interactions energy: -1780.756 where: short stacking energy: -780.802 Base-Backbone interact. energy: -1.647 local terms energy: -794.458430 where: bonds (distance) C4'-P energy: -157.661 bonds (distance) P-C4' energy: -151.258 flat angles C4'-P-C4' energy: -166.255 flat angles P-C4'-P energy: -119.215 tors. eta vs tors. theta energy: -200.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2299.331155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.331155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.331155 (E_RNA) where: Base-Base interactions energy: -1596.069 where: short stacking energy: -723.176 Base-Backbone interact. energy: -2.577 local terms energy: -700.685580 where: bonds (distance) C4'-P energy: -123.487 bonds (distance) P-C4' energy: -120.103 flat angles C4'-P-C4' energy: -178.452 flat angles P-C4'-P energy: -111.457 tors. eta vs tors. theta energy: -167.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -2189.000688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.000688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.000688 (E_RNA) where: Base-Base interactions energy: -1487.649 where: short stacking energy: -623.858 Base-Backbone interact. energy: 4.003 local terms energy: -705.354932 where: bonds (distance) C4'-P energy: -153.187 bonds (distance) P-C4' energy: -164.358 flat angles C4'-P-C4' energy: -164.566 flat angles P-C4'-P energy: -88.346 tors. eta vs tors. theta energy: -134.897 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: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1910.622351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.622351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.622351 (E_RNA) where: Base-Base interactions energy: -1270.268 where: short stacking energy: -563.773 Base-Backbone interact. energy: 1.898 local terms energy: -642.252373 where: bonds (distance) C4'-P energy: -147.971 bonds (distance) P-C4' energy: -154.762 flat angles C4'-P-C4' energy: -133.351 flat angles P-C4'-P energy: -93.754 tors. eta vs tors. theta energy: -112.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1338.022936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.022936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.022936 (E_RNA) where: Base-Base interactions energy: -822.943 where: short stacking energy: -384.245 Base-Backbone interact. energy: -1.583 local terms energy: -513.496443 where: bonds (distance) C4'-P energy: -133.228 bonds (distance) P-C4' energy: -159.506 flat angles C4'-P-C4' energy: -129.778 flat angles P-C4'-P energy: -63.628 tors. eta vs tors. theta energy: -27.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3352.476149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.476149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.476149 (E_RNA) where: Base-Base interactions energy: -2365.204 where: short stacking energy: -992.193 Base-Backbone interact. energy: -8.994 local terms energy: -978.277885 where: bonds (distance) C4'-P energy: -177.099 bonds (distance) P-C4' energy: -195.080 flat angles C4'-P-C4' energy: -207.523 flat angles P-C4'-P energy: -129.036 tors. eta vs tors. theta energy: -269.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -3258.514508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.514508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.514508 (E_RNA) where: Base-Base interactions energy: -2280.767 where: short stacking energy: -970.909 Base-Backbone interact. energy: -5.152 local terms energy: -972.594780 where: bonds (distance) C4'-P energy: -189.280 bonds (distance) P-C4' energy: -183.187 flat angles C4'-P-C4' energy: -213.895 flat angles P-C4'-P energy: -125.061 tors. eta vs tors. theta energy: -261.172 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: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -3006.685386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.685386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.685386 (E_RNA) where: Base-Base interactions energy: -2086.245 where: short stacking energy: -893.115 Base-Backbone interact. energy: -2.140 local terms energy: -918.300627 where: bonds (distance) C4'-P energy: -160.690 bonds (distance) P-C4' energy: -181.209 flat angles C4'-P-C4' energy: -203.831 flat angles P-C4'-P energy: -139.965 tors. eta vs tors. theta energy: -232.605 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: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -3042.803771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.803771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.803771 (E_RNA) where: Base-Base interactions energy: -2160.283 where: short stacking energy: -891.013 Base-Backbone interact. energy: -3.948 local terms energy: -878.573316 where: bonds (distance) C4'-P energy: -161.121 bonds (distance) P-C4' energy: -169.140 flat angles C4'-P-C4' energy: -195.215 flat angles P-C4'-P energy: -113.033 tors. eta vs tors. theta energy: -240.063 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: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2792.302348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.302348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.302348 (E_RNA) where: Base-Base interactions energy: -1958.077 where: short stacking energy: -852.238 Base-Backbone interact. energy: -4.274 local terms energy: -829.951799 where: bonds (distance) C4'-P energy: -142.942 bonds (distance) P-C4' energy: -166.167 flat angles C4'-P-C4' energy: -179.666 flat angles P-C4'-P energy: -129.139 tors. eta vs tors. theta energy: -212.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2615.414867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.414867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.414867 (E_RNA) where: Base-Base interactions energy: -1776.426 where: short stacking energy: -777.460 Base-Backbone interact. energy: 0.167 local terms energy: -839.155661 where: bonds (distance) C4'-P energy: -176.657 bonds (distance) P-C4' energy: -173.898 flat angles C4'-P-C4' energy: -165.297 flat angles P-C4'-P energy: -112.880 tors. eta vs tors. theta energy: -210.424 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: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2271.015301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.015301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.015301 (E_RNA) where: Base-Base interactions energy: -1518.957 where: short stacking energy: -685.031 Base-Backbone interact. energy: -1.874 local terms energy: -750.183956 where: bonds (distance) C4'-P energy: -124.157 bonds (distance) P-C4' energy: -164.903 flat angles C4'-P-C4' energy: -190.180 flat angles P-C4'-P energy: -105.138 tors. eta vs tors. theta energy: -165.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2236.334138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.334138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.334138 (E_RNA) where: Base-Base interactions energy: -1566.799 where: short stacking energy: -653.506 Base-Backbone interact. energy: -2.591 local terms energy: -666.943426 where: bonds (distance) C4'-P energy: -140.285 bonds (distance) P-C4' energy: -152.034 flat angles C4'-P-C4' energy: -151.599 flat angles P-C4'-P energy: -103.175 tors. eta vs tors. theta energy: -119.850 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: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1768.853611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.853611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.853611 (E_RNA) where: Base-Base interactions energy: -1177.263 where: short stacking energy: -530.153 Base-Backbone interact. energy: 1.756 local terms energy: -593.347172 where: bonds (distance) C4'-P energy: -121.849 bonds (distance) P-C4' energy: -154.039 flat angles C4'-P-C4' energy: -137.542 flat angles P-C4'-P energy: -97.256 tors. eta vs tors. theta energy: -82.662 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: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1335.621547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.621547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.621547 (E_RNA) where: Base-Base interactions energy: -798.351 where: short stacking energy: -386.416 Base-Backbone interact. energy: -1.308 local terms energy: -535.962854 where: bonds (distance) C4'-P energy: -127.640 bonds (distance) P-C4' energy: -141.660 flat angles C4'-P-C4' energy: -148.225 flat angles P-C4'-P energy: -75.609 tors. eta vs tors. theta energy: -42.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3301.435659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.435659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.435659 (E_RNA) where: Base-Base interactions energy: -2316.108 where: short stacking energy: -961.215 Base-Backbone interact. energy: -3.722 local terms energy: -981.605128 where: bonds (distance) C4'-P energy: -200.278 bonds (distance) P-C4' energy: -193.683 flat angles C4'-P-C4' energy: -210.972 flat angles P-C4'-P energy: -117.738 tors. eta vs tors. theta energy: -258.934 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: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -3186.035957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.035957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.035957 (E_RNA) where: Base-Base interactions energy: -2256.185 where: short stacking energy: -934.120 Base-Backbone interact. energy: -3.391 local terms energy: -926.459809 where: bonds (distance) C4'-P energy: -173.497 bonds (distance) P-C4' energy: -182.578 flat angles C4'-P-C4' energy: -201.373 flat angles P-C4'-P energy: -107.485 tors. eta vs tors. theta energy: -261.527 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: 156 Temperature: 1.000000 Total energy: -3022.566683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.566683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.566683 (E_RNA) where: Base-Base interactions energy: -2132.400 where: short stacking energy: -888.752 Base-Backbone interact. energy: -3.279 local terms energy: -886.888186 where: bonds (distance) C4'-P energy: -147.169 bonds (distance) P-C4' energy: -180.203 flat angles C4'-P-C4' energy: -196.879 flat angles P-C4'-P energy: -131.714 tors. eta vs tors. theta energy: -230.923 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: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2981.360887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.360887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.360887 (E_RNA) where: Base-Base interactions energy: -2121.347 where: short stacking energy: -880.544 Base-Backbone interact. energy: -6.280 local terms energy: -853.734038 where: bonds (distance) C4'-P energy: -149.550 bonds (distance) P-C4' energy: -157.984 flat angles C4'-P-C4' energy: -194.905 flat angles P-C4'-P energy: -124.428 tors. eta vs tors. theta energy: -226.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2847.394315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.394315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.394315 (E_RNA) where: Base-Base interactions energy: -1977.257 where: short stacking energy: -848.208 Base-Backbone interact. energy: -2.295 local terms energy: -867.842893 where: bonds (distance) C4'-P energy: -173.501 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -182.161 flat angles P-C4'-P energy: -122.893 tors. eta vs tors. theta energy: -231.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2641.755924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.755924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.755924 (E_RNA) where: Base-Base interactions energy: -1809.755 where: short stacking energy: -799.561 Base-Backbone interact. energy: -5.449 local terms energy: -826.551521 where: bonds (distance) C4'-P energy: -162.221 bonds (distance) P-C4' energy: -161.219 flat angles C4'-P-C4' energy: -178.386 flat angles P-C4'-P energy: -122.752 tors. eta vs tors. theta energy: -201.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2343.101361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.101361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.101361 (E_RNA) where: Base-Base interactions energy: -1590.419 where: short stacking energy: -698.602 Base-Backbone interact. energy: 9.157 local terms energy: -761.839460 where: bonds (distance) C4'-P energy: -152.305 bonds (distance) P-C4' energy: -144.441 flat angles C4'-P-C4' energy: -186.675 flat angles P-C4'-P energy: -113.971 tors. eta vs tors. theta energy: -164.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -2202.199050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.199050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.199050 (E_RNA) where: Base-Base interactions energy: -1522.888 where: short stacking energy: -658.724 Base-Backbone interact. energy: 2.603 local terms energy: -681.913723 where: bonds (distance) C4'-P energy: -136.117 bonds (distance) P-C4' energy: -158.742 flat angles C4'-P-C4' energy: -166.150 flat angles P-C4'-P energy: -85.351 tors. eta vs tors. theta energy: -135.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1752.126384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.126384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.126384 (E_RNA) where: Base-Base interactions energy: -1159.237 where: short stacking energy: -527.228 Base-Backbone interact. energy: -1.569 local terms energy: -591.320403 where: bonds (distance) C4'-P energy: -153.821 bonds (distance) P-C4' energy: -139.951 flat angles C4'-P-C4' energy: -148.284 flat angles P-C4'-P energy: -71.958 tors. eta vs tors. theta energy: -77.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1343.975105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.975105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.975105 (E_RNA) where: Base-Base interactions energy: -833.820 where: short stacking energy: -413.173 Base-Backbone interact. energy: 6.404 local terms energy: -516.559439 where: bonds (distance) C4'-P energy: -142.102 bonds (distance) P-C4' energy: -141.339 flat angles C4'-P-C4' energy: -122.825 flat angles P-C4'-P energy: -67.719 tors. eta vs tors. theta energy: -42.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3317.783274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.783274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.783274 (E_RNA) where: Base-Base interactions energy: -2383.613 where: short stacking energy: -981.093 Base-Backbone interact. energy: 0.275 local terms energy: -934.445190 where: bonds (distance) C4'-P energy: -173.559 bonds (distance) P-C4' energy: -184.734 flat angles C4'-P-C4' energy: -191.029 flat angles P-C4'-P energy: -120.739 tors. eta vs tors. theta energy: -264.384 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: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -3244.094730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.094730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.094730 (E_RNA) where: Base-Base interactions energy: -2295.003 where: short stacking energy: -916.001 Base-Backbone interact. energy: 5.101 local terms energy: -954.192935 where: bonds (distance) C4'-P energy: -190.372 bonds (distance) P-C4' energy: -170.726 flat angles C4'-P-C4' energy: -197.418 flat angles P-C4'-P energy: -132.184 tors. eta vs tors. theta energy: -263.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -3054.491067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.491067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.491067 (E_RNA) where: Base-Base interactions energy: -2199.762 where: short stacking energy: -909.908 Base-Backbone interact. energy: 0.826 local terms energy: -855.554531 where: bonds (distance) C4'-P energy: -144.853 bonds (distance) P-C4' energy: -174.776 flat angles C4'-P-C4' energy: -184.608 flat angles P-C4'-P energy: -113.922 tors. eta vs tors. theta energy: -237.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2991.077318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.077318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.077318 (E_RNA) where: Base-Base interactions energy: -2091.635 where: short stacking energy: -896.769 Base-Backbone interact. energy: -1.880 local terms energy: -897.561875 where: bonds (distance) C4'-P energy: -170.962 bonds (distance) P-C4' energy: -179.662 flat angles C4'-P-C4' energy: -203.071 flat angles P-C4'-P energy: -120.810 tors. eta vs tors. theta energy: -223.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2816.941784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.941784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.941784 (E_RNA) where: Base-Base interactions energy: -1952.543 where: short stacking energy: -829.102 Base-Backbone interact. energy: -3.813 local terms energy: -860.586244 where: bonds (distance) C4'-P energy: -180.323 bonds (distance) P-C4' energy: -153.387 flat angles C4'-P-C4' energy: -177.795 flat angles P-C4'-P energy: -122.920 tors. eta vs tors. theta energy: -226.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2593.986839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.986839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.986839 (E_RNA) where: Base-Base interactions energy: -1798.472 where: short stacking energy: -790.993 Base-Backbone interact. energy: -0.233 local terms energy: -795.282508 where: bonds (distance) C4'-P energy: -151.741 bonds (distance) P-C4' energy: -177.297 flat angles C4'-P-C4' energy: -178.311 flat angles P-C4'-P energy: -98.475 tors. eta vs tors. theta energy: -189.459 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: 7, replica: 7 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2378.109550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.109550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.109550 (E_RNA) where: Base-Base interactions energy: -1613.472 where: short stacking energy: -715.012 Base-Backbone interact. energy: -1.961 local terms energy: -762.677173 where: bonds (distance) C4'-P energy: -147.223 bonds (distance) P-C4' energy: -144.775 flat angles C4'-P-C4' energy: -169.414 flat angles P-C4'-P energy: -129.147 tors. eta vs tors. theta energy: -172.119 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: 10 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2125.269586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2125.269586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2125.269586 (E_RNA) where: Base-Base interactions energy: -1466.913 where: short stacking energy: -627.706 Base-Backbone interact. energy: 0.826 local terms energy: -659.182494 where: bonds (distance) C4'-P energy: -141.954 bonds (distance) P-C4' energy: -150.989 flat angles C4'-P-C4' energy: -168.756 flat angles P-C4'-P energy: -87.572 tors. eta vs tors. theta energy: -109.912 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: 9, replica: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1732.257160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.257160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.257160 (E_RNA) where: Base-Base interactions energy: -1132.008 where: short stacking energy: -496.683 Base-Backbone interact. energy: 1.000 local terms energy: -601.248994 where: bonds (distance) C4'-P energy: -151.417 bonds (distance) P-C4' energy: -145.548 flat angles C4'-P-C4' energy: -153.980 flat angles P-C4'-P energy: -88.219 tors. eta vs tors. theta energy: -62.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1167.977656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.977656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.977656 (E_RNA) where: Base-Base interactions energy: -664.315 where: short stacking energy: -370.937 Base-Backbone interact. energy: -0.011 local terms energy: -503.652145 where: bonds (distance) C4'-P energy: -131.982 bonds (distance) P-C4' energy: -132.652 flat angles C4'-P-C4' energy: -144.718 flat angles P-C4'-P energy: -59.901 tors. eta vs tors. theta energy: -34.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3270.057301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.057301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.057301 (E_RNA) where: Base-Base interactions energy: -2321.372 where: short stacking energy: -942.540 Base-Backbone interact. energy: -1.331 local terms energy: -947.354282 where: bonds (distance) C4'-P energy: -179.853 bonds (distance) P-C4' energy: -199.533 flat angles C4'-P-C4' energy: -185.727 flat angles P-C4'-P energy: -129.588 tors. eta vs tors. theta energy: -252.653 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: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -3221.600154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.600154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.600154 (E_RNA) where: Base-Base interactions energy: -2282.042 where: short stacking energy: -938.946 Base-Backbone interact. energy: -2.690 local terms energy: -936.869021 where: bonds (distance) C4'-P energy: -176.806 bonds (distance) P-C4' energy: -180.105 flat angles C4'-P-C4' energy: -202.293 flat angles P-C4'-P energy: -128.040 tors. eta vs tors. theta energy: -249.626 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: 158 Temperature: 1.000000 Total energy: -3064.675230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.675230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.675230 (E_RNA) where: Base-Base interactions energy: -2136.402 where: short stacking energy: -894.097 Base-Backbone interact. energy: -4.066 local terms energy: -924.207133 where: bonds (distance) C4'-P energy: -182.630 bonds (distance) P-C4' energy: -178.701 flat angles C4'-P-C4' energy: -201.961 flat angles P-C4'-P energy: -130.307 tors. eta vs tors. theta energy: -230.608 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: 158 Temperature: 1.050000 Total energy: -3017.622180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.622180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.622180 (E_RNA) where: Base-Base interactions energy: -2123.114 where: short stacking energy: -867.769 Base-Backbone interact. energy: -5.840 local terms energy: -888.668045 where: bonds (distance) C4'-P energy: -160.283 bonds (distance) P-C4' energy: -172.713 flat angles C4'-P-C4' energy: -200.463 flat angles P-C4'-P energy: -126.010 tors. eta vs tors. theta energy: -229.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2785.856505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.856505 (E_RNA) where: Base-Base interactions energy: -1886.636 where: short stacking energy: -817.078 Base-Backbone interact. energy: -5.485 local terms energy: -893.735852 where: bonds (distance) C4'-P energy: -168.368 bonds (distance) P-C4' energy: -169.744 flat angles C4'-P-C4' energy: -198.924 flat angles P-C4'-P energy: -140.530 tors. eta vs tors. theta energy: -216.170 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: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2593.631300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.631300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.631300 (E_RNA) where: Base-Base interactions energy: -1791.265 where: short stacking energy: -783.362 Base-Backbone interact. energy: -5.918 local terms energy: -796.447991 where: bonds (distance) C4'-P energy: -145.567 bonds (distance) P-C4' energy: -161.334 flat angles C4'-P-C4' energy: -191.816 flat angles P-C4'-P energy: -104.664 tors. eta vs tors. theta energy: -193.066 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: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2324.384824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.384824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.384824 (E_RNA) where: Base-Base interactions energy: -1539.650 where: short stacking energy: -678.472 Base-Backbone interact. energy: -3.623 local terms energy: -781.112510 where: bonds (distance) C4'-P energy: -153.543 bonds (distance) P-C4' energy: -166.326 flat angles C4'-P-C4' energy: -181.020 flat angles P-C4'-P energy: -117.492 tors. eta vs tors. theta energy: -162.732 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: 10 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2175.127221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.127221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.127221 (E_RNA) where: Base-Base interactions energy: -1472.685 where: short stacking energy: -611.514 Base-Backbone interact. energy: 0.038 local terms energy: -702.480657 where: bonds (distance) C4'-P energy: -150.209 bonds (distance) P-C4' energy: -152.649 flat angles C4'-P-C4' energy: -164.431 flat angles P-C4'-P energy: -105.812 tors. eta vs tors. theta energy: -129.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1803.276086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.276086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.276086 (E_RNA) where: Base-Base interactions energy: -1141.218 where: short stacking energy: -528.016 Base-Backbone interact. energy: -0.371 local terms energy: -661.687123 where: bonds (distance) C4'-P energy: -151.501 bonds (distance) P-C4' energy: -164.342 flat angles C4'-P-C4' energy: -155.160 flat angles P-C4'-P energy: -100.408 tors. eta vs tors. theta energy: -90.276 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: 9 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1145.570016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.570016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.570016 (E_RNA) where: Base-Base interactions energy: -624.502 where: short stacking energy: -362.001 Base-Backbone interact. energy: -0.208 local terms energy: -520.859876 where: bonds (distance) C4'-P energy: -133.724 bonds (distance) P-C4' energy: -133.195 flat angles C4'-P-C4' energy: -155.704 flat angles P-C4'-P energy: -72.380 tors. eta vs tors. theta energy: -25.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3271.968041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.968041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.968041 (E_RNA) where: Base-Base interactions energy: -2296.367 where: short stacking energy: -950.630 Base-Backbone interact. energy: -2.174 local terms energy: -973.426724 where: bonds (distance) C4'-P energy: -182.265 bonds (distance) P-C4' energy: -195.022 flat angles C4'-P-C4' energy: -204.040 flat angles P-C4'-P energy: -144.598 tors. eta vs tors. theta energy: -247.502 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: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -3194.990141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.990141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.990141 (E_RNA) where: Base-Base interactions energy: -2241.279 where: short stacking energy: -938.722 Base-Backbone interact. energy: -3.960 local terms energy: -949.751820 where: bonds (distance) C4'-P energy: -166.479 bonds (distance) P-C4' energy: -183.248 flat angles C4'-P-C4' energy: -207.320 flat angles P-C4'-P energy: -142.028 tors. eta vs tors. theta energy: -250.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -3082.847778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.847778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.847778 (E_RNA) where: Base-Base interactions energy: -2196.488 where: short stacking energy: -869.417 Base-Backbone interact. energy: 1.453 local terms energy: -887.813295 where: bonds (distance) C4'-P energy: -167.365 bonds (distance) P-C4' energy: -177.432 flat angles C4'-P-C4' energy: -187.382 flat angles P-C4'-P energy: -146.159 tors. eta vs tors. theta energy: -209.475 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: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2986.370283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.370283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.370283 (E_RNA) where: Base-Base interactions energy: -2076.909 where: short stacking energy: -861.206 Base-Backbone interact. energy: -3.100 local terms energy: -906.362031 where: bonds (distance) C4'-P energy: -174.973 bonds (distance) P-C4' energy: -176.140 flat angles C4'-P-C4' energy: -193.462 flat angles P-C4'-P energy: -120.157 tors. eta vs tors. theta energy: -241.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2827.514729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.514729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.514729 (E_RNA) where: Base-Base interactions energy: -1927.099 where: short stacking energy: -829.961 Base-Backbone interact. energy: 1.007 local terms energy: -901.423093 where: bonds (distance) C4'-P energy: -158.615 bonds (distance) P-C4' energy: -176.636 flat angles C4'-P-C4' energy: -193.058 flat angles P-C4'-P energy: -148.880 tors. eta vs tors. theta energy: -224.235 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: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2580.060612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.060612 (E_RNA) where: Base-Base interactions energy: -1773.726 where: short stacking energy: -775.335 Base-Backbone interact. energy: -3.239 local terms energy: -803.095591 where: bonds (distance) C4'-P energy: -158.599 bonds (distance) P-C4' energy: -171.250 flat angles C4'-P-C4' energy: -173.847 flat angles P-C4'-P energy: -110.306 tors. eta vs tors. theta energy: -189.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2346.193656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2346.193656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2346.193656 (E_RNA) where: Base-Base interactions energy: -1629.192 where: short stacking energy: -692.162 Base-Backbone interact. energy: -3.004 local terms energy: -713.998035 where: bonds (distance) C4'-P energy: -114.898 bonds (distance) P-C4' energy: -149.388 flat angles C4'-P-C4' energy: -175.387 flat angles P-C4'-P energy: -111.296 tors. eta vs tors. theta energy: -163.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -2234.927483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.927483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.927483 (E_RNA) where: Base-Base interactions energy: -1538.388 where: short stacking energy: -683.806 Base-Backbone interact. energy: -0.564 local terms energy: -695.974897 where: bonds (distance) C4'-P energy: -118.028 bonds (distance) P-C4' energy: -161.554 flat angles C4'-P-C4' energy: -179.482 flat angles P-C4'-P energy: -96.267 tors. eta vs tors. theta energy: -140.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1849.752586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.752586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.752586 (E_RNA) where: Base-Base interactions energy: -1210.584 where: short stacking energy: -530.794 Base-Backbone interact. energy: 6.127 local terms energy: -645.294968 where: bonds (distance) C4'-P energy: -140.618 bonds (distance) P-C4' energy: -147.190 flat angles C4'-P-C4' energy: -155.268 flat angles P-C4'-P energy: -94.594 tors. eta vs tors. theta energy: -107.625 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: 9 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1077.759581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.759581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.759581 (E_RNA) where: Base-Base interactions energy: -574.419 where: short stacking energy: -309.522 Base-Backbone interact. energy: 0.108 local terms energy: -503.447667 where: bonds (distance) C4'-P energy: -159.093 bonds (distance) P-C4' energy: -147.014 flat angles C4'-P-C4' energy: -141.655 flat angles P-C4'-P energy: -68.730 tors. eta vs tors. theta energy: 13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3299.665529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.665529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.665529 (E_RNA) where: Base-Base interactions energy: -2337.482 where: short stacking energy: -966.863 Base-Backbone interact. energy: -4.479 local terms energy: -957.704347 where: bonds (distance) C4'-P energy: -167.770 bonds (distance) P-C4' energy: -191.719 flat angles C4'-P-C4' energy: -197.445 flat angles P-C4'-P energy: -147.097 tors. eta vs tors. theta energy: -253.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -3215.142027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.142027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.142027 (E_RNA) where: Base-Base interactions energy: -2261.527 where: short stacking energy: -980.698 Base-Backbone interact. energy: -2.782 local terms energy: -950.833855 where: bonds (distance) C4'-P energy: -188.386 bonds (distance) P-C4' energy: -168.152 flat angles C4'-P-C4' energy: -209.501 flat angles P-C4'-P energy: -117.656 tors. eta vs tors. theta energy: -267.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -3099.482448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.482448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.482448 (E_RNA) where: Base-Base interactions energy: -2188.262 where: short stacking energy: -883.450 Base-Backbone interact. energy: -1.925 local terms energy: -909.295592 where: bonds (distance) C4'-P energy: -169.989 bonds (distance) P-C4' energy: -182.167 flat angles C4'-P-C4' energy: -193.688 flat angles P-C4'-P energy: -127.009 tors. eta vs tors. theta energy: -236.443 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: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2988.021516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.021516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.021516 (E_RNA) where: Base-Base interactions energy: -2084.348 where: short stacking energy: -871.481 Base-Backbone interact. energy: -3.967 local terms energy: -899.705699 where: bonds (distance) C4'-P energy: -163.241 bonds (distance) P-C4' energy: -178.070 flat angles C4'-P-C4' energy: -211.884 flat angles P-C4'-P energy: -108.332 tors. eta vs tors. theta energy: -238.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2780.820702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.820702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.820702 (E_RNA) where: Base-Base interactions energy: -1936.762 where: short stacking energy: -843.424 Base-Backbone interact. energy: 0.059 local terms energy: -844.118055 where: bonds (distance) C4'-P energy: -175.756 bonds (distance) P-C4' energy: -136.913 flat angles C4'-P-C4' energy: -189.824 flat angles P-C4'-P energy: -117.642 tors. eta vs tors. theta energy: -223.983 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: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2548.770419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.770419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.770419 (E_RNA) where: Base-Base interactions energy: -1754.468 where: short stacking energy: -742.879 Base-Backbone interact. energy: -5.890 local terms energy: -788.412943 where: bonds (distance) C4'-P energy: -151.162 bonds (distance) P-C4' energy: -143.119 flat angles C4'-P-C4' energy: -178.854 flat angles P-C4'-P energy: -119.045 tors. eta vs tors. theta energy: -196.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2380.168671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.168671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.168671 (E_RNA) where: Base-Base interactions energy: -1631.824 where: short stacking energy: -727.765 Base-Backbone interact. energy: -0.014 local terms energy: -748.330370 where: bonds (distance) C4'-P energy: -135.659 bonds (distance) P-C4' energy: -165.019 flat angles C4'-P-C4' energy: -170.426 flat angles P-C4'-P energy: -106.496 tors. eta vs tors. theta energy: -170.730 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: 10 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2212.026317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.026317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.026317 (E_RNA) where: Base-Base interactions energy: -1516.385 where: short stacking energy: -656.494 Base-Backbone interact. energy: 3.835 local terms energy: -699.476239 where: bonds (distance) C4'-P energy: -158.406 bonds (distance) P-C4' energy: -159.205 flat angles C4'-P-C4' energy: -143.113 flat angles P-C4'-P energy: -110.101 tors. eta vs tors. theta energy: -128.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1843.160976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.160976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.160976 (E_RNA) where: Base-Base interactions energy: -1216.743 where: short stacking energy: -539.819 Base-Backbone interact. energy: -3.304 local terms energy: -623.113727 where: bonds (distance) C4'-P energy: -149.803 bonds (distance) P-C4' energy: -150.595 flat angles C4'-P-C4' energy: -123.398 flat angles P-C4'-P energy: -93.481 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: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1076.348751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.348751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.348751 (E_RNA) where: Base-Base interactions energy: -577.500 where: short stacking energy: -301.132 Base-Backbone interact. energy: 4.498 local terms energy: -503.347201 where: bonds (distance) C4'-P energy: -150.162 bonds (distance) P-C4' energy: -141.524 flat angles C4'-P-C4' energy: -121.696 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -20.563 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: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3267.665529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.665529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.665529 (E_RNA) where: Base-Base interactions energy: -2308.019 where: short stacking energy: -963.063 Base-Backbone interact. energy: -0.493 local terms energy: -959.154322 where: bonds (distance) C4'-P energy: -174.383 bonds (distance) P-C4' energy: -180.861 flat angles C4'-P-C4' energy: -200.978 flat angles P-C4'-P energy: -147.609 tors. eta vs tors. theta energy: -255.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -3190.737129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.737129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.737129 (E_RNA) where: Base-Base interactions energy: -2268.380 where: short stacking energy: -967.093 Base-Backbone interact. energy: 0.227 local terms energy: -922.584170 where: bonds (distance) C4'-P energy: -166.158 bonds (distance) P-C4' energy: -170.614 flat angles C4'-P-C4' energy: -196.395 flat angles P-C4'-P energy: -138.348 tors. eta vs tors. theta energy: -251.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -3083.154416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.154416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.154416 (E_RNA) where: Base-Base interactions energy: -2187.629 where: short stacking energy: -879.581 Base-Backbone interact. energy: 0.986 local terms energy: -896.511546 where: bonds (distance) C4'-P energy: -166.279 bonds (distance) P-C4' energy: -182.245 flat angles C4'-P-C4' energy: -199.309 flat angles P-C4'-P energy: -124.320 tors. eta vs tors. theta energy: -224.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2996.090008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.090008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.090008 (E_RNA) where: Base-Base interactions energy: -2142.170 where: short stacking energy: -886.049 Base-Backbone interact. energy: -3.652 local terms energy: -850.267374 where: bonds (distance) C4'-P energy: -160.212 bonds (distance) P-C4' energy: -151.821 flat angles C4'-P-C4' energy: -176.778 flat angles P-C4'-P energy: -116.872 tors. eta vs tors. theta energy: -244.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2791.750038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.750038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.750038 (E_RNA) where: Base-Base interactions energy: -1946.708 where: short stacking energy: -826.262 Base-Backbone interact. energy: -3.239 local terms energy: -841.803452 where: bonds (distance) C4'-P energy: -177.652 bonds (distance) P-C4' energy: -164.856 flat angles C4'-P-C4' energy: -171.422 flat angles P-C4'-P energy: -116.909 tors. eta vs tors. theta energy: -210.965 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: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2597.563291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.563291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.563291 (E_RNA) where: Base-Base interactions energy: -1764.221 where: short stacking energy: -757.978 Base-Backbone interact. energy: -0.487 local terms energy: -832.855775 where: bonds (distance) C4'-P energy: -165.611 bonds (distance) P-C4' energy: -166.269 flat angles C4'-P-C4' energy: -200.933 flat angles P-C4'-P energy: -115.693 tors. eta vs tors. theta energy: -184.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2433.521782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.521782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.521782 (E_RNA) where: Base-Base interactions energy: -1671.331 where: short stacking energy: -704.892 Base-Backbone interact. energy: -2.809 local terms energy: -759.381859 where: bonds (distance) C4'-P energy: -159.396 bonds (distance) P-C4' energy: -153.443 flat angles C4'-P-C4' energy: -167.259 flat angles P-C4'-P energy: -114.635 tors. eta vs tors. theta energy: -164.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2327.440165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.440165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.440165 (E_RNA) where: Base-Base interactions energy: -1607.389 where: short stacking energy: -664.101 Base-Backbone interact. energy: 1.623 local terms energy: -721.674134 where: bonds (distance) C4'-P energy: -154.674 bonds (distance) P-C4' energy: -151.450 flat angles C4'-P-C4' energy: -167.419 flat angles P-C4'-P energy: -97.574 tors. eta vs tors. theta energy: -150.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1813.065973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.065973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.065973 (E_RNA) where: Base-Base interactions energy: -1173.911 where: short stacking energy: -514.512 Base-Backbone interact. energy: 1.041 local terms energy: -640.195574 where: bonds (distance) C4'-P energy: -139.025 bonds (distance) P-C4' energy: -149.313 flat angles C4'-P-C4' energy: -167.216 flat angles P-C4'-P energy: -93.972 tors. eta vs tors. theta energy: -90.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1116.364419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.364419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.364419 (E_RNA) where: Base-Base interactions energy: -576.292 where: short stacking energy: -293.097 Base-Backbone interact. energy: -2.950 local terms energy: -537.123210 where: bonds (distance) C4'-P energy: -158.277 bonds (distance) P-C4' energy: -169.862 flat angles C4'-P-C4' energy: -121.704 flat angles P-C4'-P energy: -93.017 tors. eta vs tors. theta energy: 5.737 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: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3261.787263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.787263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.787263 (E_RNA) where: Base-Base interactions energy: -2293.609 where: short stacking energy: -983.466 Base-Backbone interact. energy: -2.633 local terms energy: -965.544954 where: bonds (distance) C4'-P energy: -181.621 bonds (distance) P-C4' energy: -191.419 flat angles C4'-P-C4' energy: -197.187 flat angles P-C4'-P energy: -147.392 tors. eta vs tors. theta energy: -247.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -3192.071261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.071261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.071261 (E_RNA) where: Base-Base interactions energy: -2221.787 where: short stacking energy: -950.042 Base-Backbone interact. energy: -1.261 local terms energy: -969.023362 where: bonds (distance) C4'-P energy: -177.327 bonds (distance) P-C4' energy: -178.276 flat angles C4'-P-C4' energy: -213.710 flat angles P-C4'-P energy: -140.911 tors. eta vs tors. theta energy: -258.800 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: 162 Temperature: 1.000000 Total energy: -3070.754149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.754149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.754149 (E_RNA) where: Base-Base interactions energy: -2199.024 where: short stacking energy: -865.879 Base-Backbone interact. energy: -8.157 local terms energy: -863.572781 where: bonds (distance) C4'-P energy: -147.168 bonds (distance) P-C4' energy: -163.038 flat angles C4'-P-C4' energy: -199.207 flat angles P-C4'-P energy: -124.789 tors. eta vs tors. theta energy: -229.370 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: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -3009.108512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.108512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.108512 (E_RNA) where: Base-Base interactions energy: -2091.022 where: short stacking energy: -853.854 Base-Backbone interact. energy: -0.517 local terms energy: -917.568789 where: bonds (distance) C4'-P energy: -172.482 bonds (distance) P-C4' energy: -184.605 flat angles C4'-P-C4' energy: -201.605 flat angles P-C4'-P energy: -123.758 tors. eta vs tors. theta energy: -235.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2773.534802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.534802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.534802 (E_RNA) where: Base-Base interactions energy: -1918.097 where: short stacking energy: -825.787 Base-Backbone interact. energy: -3.713 local terms energy: -851.724580 where: bonds (distance) C4'-P energy: -159.387 bonds (distance) P-C4' energy: -165.662 flat angles C4'-P-C4' energy: -200.078 flat angles P-C4'-P energy: -122.199 tors. eta vs tors. theta energy: -204.400 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: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2559.738061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.738061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.738061 (E_RNA) where: Base-Base interactions energy: -1761.162 where: short stacking energy: -760.699 Base-Backbone interact. energy: -5.233 local terms energy: -793.343274 where: bonds (distance) C4'-P energy: -157.636 bonds (distance) P-C4' energy: -163.759 flat angles C4'-P-C4' energy: -176.084 flat angles P-C4'-P energy: -104.334 tors. eta vs tors. theta energy: -191.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2370.449667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.449667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.449667 (E_RNA) where: Base-Base interactions energy: -1614.307 where: short stacking energy: -675.119 Base-Backbone interact. energy: -2.177 local terms energy: -753.965097 where: bonds (distance) C4'-P energy: -177.937 bonds (distance) P-C4' energy: -158.679 flat angles C4'-P-C4' energy: -167.253 flat angles P-C4'-P energy: -95.432 tors. eta vs tors. theta energy: -154.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2266.380836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.380836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.380836 (E_RNA) where: Base-Base interactions energy: -1610.797 where: short stacking energy: -668.305 Base-Backbone interact. energy: -3.267 local terms energy: -652.317051 where: bonds (distance) C4'-P energy: -144.956 bonds (distance) P-C4' energy: -152.331 flat angles C4'-P-C4' energy: -143.841 flat angles P-C4'-P energy: -71.800 tors. eta vs tors. theta energy: -139.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1819.861521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.861521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.861521 (E_RNA) where: Base-Base interactions energy: -1173.409 where: short stacking energy: -542.800 Base-Backbone interact. energy: 0.416 local terms energy: -646.868415 where: bonds (distance) C4'-P energy: -123.027 bonds (distance) P-C4' energy: -158.133 flat angles C4'-P-C4' energy: -154.362 flat angles P-C4'-P energy: -107.527 tors. eta vs tors. theta energy: -103.820 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: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1094.288178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.288178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.288178 (E_RNA) where: Base-Base interactions energy: -545.121 where: short stacking energy: -298.695 Base-Backbone interact. energy: 6.183 local terms energy: -555.349649 where: bonds (distance) C4'-P energy: -135.242 bonds (distance) P-C4' energy: -159.658 flat angles C4'-P-C4' energy: -159.999 flat angles P-C4'-P energy: -110.159 tors. eta vs tors. theta energy: 9.708 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: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3280.717672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.717672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.717672 (E_RNA) where: Base-Base interactions energy: -2301.091 where: short stacking energy: -997.251 Base-Backbone interact. energy: -7.742 local terms energy: -971.885194 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -193.626 flat angles C4'-P-C4' energy: -200.448 flat angles P-C4'-P energy: -152.935 tors. eta vs tors. theta energy: -260.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -3210.231141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.231141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.231141 (E_RNA) where: Base-Base interactions energy: -2261.903 where: short stacking energy: -945.328 Base-Backbone interact. energy: -0.979 local terms energy: -947.349030 where: bonds (distance) C4'-P energy: -183.632 bonds (distance) P-C4' energy: -178.230 flat angles C4'-P-C4' energy: -197.710 flat angles P-C4'-P energy: -132.894 tors. eta vs tors. theta energy: -254.884 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: 3, replica: 5 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -3093.762747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.762747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.762747 (E_RNA) where: Base-Base interactions energy: -2236.688 where: short stacking energy: -913.102 Base-Backbone interact. energy: -0.472 local terms energy: -856.602173 where: bonds (distance) C4'-P energy: -165.352 bonds (distance) P-C4' energy: -157.663 flat angles C4'-P-C4' energy: -187.953 flat angles P-C4'-P energy: -114.113 tors. eta vs tors. theta energy: -231.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2994.308653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.308653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.308653 (E_RNA) where: Base-Base interactions energy: -2139.387 where: short stacking energy: -862.908 Base-Backbone interact. energy: 1.225 local terms energy: -856.146668 where: bonds (distance) C4'-P energy: -172.735 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -181.913 flat angles P-C4'-P energy: -112.697 tors. eta vs tors. theta energy: -221.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2823.427963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.427963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.427963 (E_RNA) where: Base-Base interactions energy: -1991.028 where: short stacking energy: -817.783 Base-Backbone interact. energy: -5.823 local terms energy: -826.576959 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -170.153 flat angles C4'-P-C4' energy: -186.149 flat angles P-C4'-P energy: -122.976 tors. eta vs tors. theta energy: -214.166 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: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2521.694864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.694864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.694864 (E_RNA) where: Base-Base interactions energy: -1733.841 where: short stacking energy: -777.892 Base-Backbone interact. energy: 1.472 local terms energy: -789.326010 where: bonds (distance) C4'-P energy: -150.240 bonds (distance) P-C4' energy: -175.808 flat angles C4'-P-C4' energy: -175.399 flat angles P-C4'-P energy: -102.563 tors. eta vs tors. theta energy: -185.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2411.565243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.565243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.565243 (E_RNA) where: Base-Base interactions energy: -1653.722 where: short stacking energy: -699.924 Base-Backbone interact. energy: 0.075 local terms energy: -757.917797 where: bonds (distance) C4'-P energy: -150.528 bonds (distance) P-C4' energy: -158.250 flat angles C4'-P-C4' energy: -180.247 flat angles P-C4'-P energy: -96.918 tors. eta vs tors. theta energy: -171.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2200.530301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.530301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.530301 (E_RNA) where: Base-Base interactions energy: -1523.508 where: short stacking energy: -673.305 Base-Backbone interact. energy: 3.415 local terms energy: -680.437047 where: bonds (distance) C4'-P energy: -140.640 bonds (distance) P-C4' energy: -152.361 flat angles C4'-P-C4' energy: -157.904 flat angles P-C4'-P energy: -96.514 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: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1856.052313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.052313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.052313 (E_RNA) where: Base-Base interactions energy: -1218.409 where: short stacking energy: -534.218 Base-Backbone interact. energy: -3.254 local terms energy: -634.389160 where: bonds (distance) C4'-P energy: -147.847 bonds (distance) P-C4' energy: -161.247 flat angles C4'-P-C4' energy: -148.350 flat angles P-C4'-P energy: -69.783 tors. eta vs tors. theta energy: -107.162 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: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1081.445537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.445537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.445537 (E_RNA) where: Base-Base interactions energy: -598.459 where: short stacking energy: -348.319 Base-Backbone interact. energy: 5.336 local terms energy: -488.323100 where: bonds (distance) C4'-P energy: -129.936 bonds (distance) P-C4' energy: -151.284 flat angles C4'-P-C4' energy: -109.521 flat angles P-C4'-P energy: -77.582 tors. eta vs tors. theta energy: -20.001 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: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3304.690893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.690893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.690893 (E_RNA) where: Base-Base interactions energy: -2331.732 where: short stacking energy: -1000.278 Base-Backbone interact. energy: -4.260 local terms energy: -968.699016 where: bonds (distance) C4'-P energy: -175.860 bonds (distance) P-C4' energy: -177.125 flat angles C4'-P-C4' energy: -216.802 flat angles P-C4'-P energy: -135.258 tors. eta vs tors. theta energy: -263.654 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: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -3219.181109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.181109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.181109 (E_RNA) where: Base-Base interactions energy: -2259.680 where: short stacking energy: -960.167 Base-Backbone interact. energy: -3.923 local terms energy: -955.578328 where: bonds (distance) C4'-P energy: -170.864 bonds (distance) P-C4' energy: -184.993 flat angles C4'-P-C4' energy: -212.494 flat angles P-C4'-P energy: -137.411 tors. eta vs tors. theta energy: -249.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -3062.023867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.023867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.023867 (E_RNA) where: Base-Base interactions energy: -2154.037 where: short stacking energy: -882.544 Base-Backbone interact. energy: -3.798 local terms energy: -904.188845 where: bonds (distance) C4'-P energy: -157.187 bonds (distance) P-C4' energy: -171.616 flat angles C4'-P-C4' energy: -199.631 flat angles P-C4'-P energy: -134.961 tors. eta vs tors. theta energy: -240.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2965.394345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.394345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.394345 (E_RNA) where: Base-Base interactions energy: -2122.299 where: short stacking energy: -860.437 Base-Backbone interact. energy: -2.559 local terms energy: -840.536489 where: bonds (distance) C4'-P energy: -169.615 bonds (distance) P-C4' energy: -147.032 flat angles C4'-P-C4' energy: -173.867 flat angles P-C4'-P energy: -115.384 tors. eta vs tors. theta energy: -234.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2826.362204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.362204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.362204 (E_RNA) where: Base-Base interactions energy: -1951.602 where: short stacking energy: -820.492 Base-Backbone interact. energy: -2.321 local terms energy: -872.439584 where: bonds (distance) C4'-P energy: -158.067 bonds (distance) P-C4' energy: -175.754 flat angles C4'-P-C4' energy: -197.382 flat angles P-C4'-P energy: -118.413 tors. eta vs tors. theta energy: -222.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2553.326697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.326697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.326697 (E_RNA) where: Base-Base interactions energy: -1756.950 where: short stacking energy: -750.848 Base-Backbone interact. energy: -5.370 local terms energy: -791.006180 where: bonds (distance) C4'-P energy: -137.537 bonds (distance) P-C4' energy: -161.303 flat angles C4'-P-C4' energy: -168.724 flat angles P-C4'-P energy: -123.227 tors. eta vs tors. theta energy: -200.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2416.408908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.408908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.408908 (E_RNA) where: Base-Base interactions energy: -1655.419 where: short stacking energy: -714.803 Base-Backbone interact. energy: -4.144 local terms energy: -756.845890 where: bonds (distance) C4'-P energy: -144.007 bonds (distance) P-C4' energy: -144.784 flat angles C4'-P-C4' energy: -179.179 flat angles P-C4'-P energy: -111.327 tors. eta vs tors. theta energy: -177.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -2212.891577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.891577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.891577 (E_RNA) where: Base-Base interactions energy: -1520.668 where: short stacking energy: -656.973 Base-Backbone interact. energy: -2.858 local terms energy: -689.365308 where: bonds (distance) C4'-P energy: -124.036 bonds (distance) P-C4' energy: -162.884 flat angles C4'-P-C4' energy: -176.341 flat angles P-C4'-P energy: -97.013 tors. eta vs tors. theta energy: -129.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1809.918002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.918002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.918002 (E_RNA) where: Base-Base interactions energy: -1187.087 where: short stacking energy: -545.494 Base-Backbone interact. energy: -2.662 local terms energy: -620.168858 where: bonds (distance) C4'-P energy: -143.255 bonds (distance) P-C4' energy: -155.998 flat angles C4'-P-C4' energy: -145.289 flat angles P-C4'-P energy: -88.787 tors. eta vs tors. theta energy: -86.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1246.491466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.491466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.491466 (E_RNA) where: Base-Base interactions energy: -719.388 where: short stacking energy: -354.529 Base-Backbone interact. energy: -2.678 local terms energy: -524.425028 where: bonds (distance) C4'-P energy: -124.388 bonds (distance) P-C4' energy: -168.874 flat angles C4'-P-C4' energy: -135.396 flat angles P-C4'-P energy: -72.502 tors. eta vs tors. theta energy: -23.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3299.219268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.219268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.219268 (E_RNA) where: Base-Base interactions energy: -2353.343 where: short stacking energy: -989.827 Base-Backbone interact. energy: -6.507 local terms energy: -939.369294 where: bonds (distance) C4'-P energy: -168.913 bonds (distance) P-C4' energy: -167.119 flat angles C4'-P-C4' energy: -197.183 flat angles P-C4'-P energy: -147.732 tors. eta vs tors. theta energy: -258.422 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: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -3231.780615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.780615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.780615 (E_RNA) where: Base-Base interactions energy: -2251.456 where: short stacking energy: -955.710 Base-Backbone interact. energy: -3.566 local terms energy: -976.758690 where: bonds (distance) C4'-P energy: -180.668 bonds (distance) P-C4' energy: -189.108 flat angles C4'-P-C4' energy: -209.006 flat angles P-C4'-P energy: -138.896 tors. eta vs tors. theta energy: -259.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -3032.093314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.093314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.093314 (E_RNA) where: Base-Base interactions energy: -2135.336 where: short stacking energy: -865.164 Base-Backbone interact. energy: -2.714 local terms energy: -894.042909 where: bonds (distance) C4'-P energy: -175.288 bonds (distance) P-C4' energy: -167.266 flat angles C4'-P-C4' energy: -200.285 flat angles P-C4'-P energy: -127.925 tors. eta vs tors. theta energy: -223.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2978.426076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.426076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.426076 (E_RNA) where: Base-Base interactions energy: -2092.122 where: short stacking energy: -854.940 Base-Backbone interact. energy: 2.983 local terms energy: -889.287572 where: bonds (distance) C4'-P energy: -156.678 bonds (distance) P-C4' energy: -172.096 flat angles C4'-P-C4' energy: -202.481 flat angles P-C4'-P energy: -134.597 tors. eta vs tors. theta energy: -223.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2856.676776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.676776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.676776 (E_RNA) where: Base-Base interactions energy: -1998.681 where: short stacking energy: -818.987 Base-Backbone interact. energy: -6.111 local terms energy: -851.885519 where: bonds (distance) C4'-P energy: -166.424 bonds (distance) P-C4' energy: -173.498 flat angles C4'-P-C4' energy: -168.630 flat angles P-C4'-P energy: -125.416 tors. eta vs tors. theta energy: -217.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2647.738537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.738537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.738537 (E_RNA) where: Base-Base interactions energy: -1836.298 where: short stacking energy: -780.400 Base-Backbone interact. energy: -4.020 local terms energy: -807.420192 where: bonds (distance) C4'-P energy: -154.728 bonds (distance) P-C4' energy: -159.046 flat angles C4'-P-C4' energy: -181.767 flat angles P-C4'-P energy: -110.123 tors. eta vs tors. theta energy: -201.756 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: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2350.026090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.026090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.026090 (E_RNA) where: Base-Base interactions energy: -1622.707 where: short stacking energy: -700.449 Base-Backbone interact. energy: -3.390 local terms energy: -723.929146 where: bonds (distance) C4'-P energy: -127.929 bonds (distance) P-C4' energy: -167.690 flat angles C4'-P-C4' energy: -161.720 flat angles P-C4'-P energy: -103.382 tors. eta vs tors. theta energy: -163.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2156.891633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.891633 (E_RNA) where: Base-Base interactions energy: -1498.856 where: short stacking energy: -655.630 Base-Backbone interact. energy: -1.662 local terms energy: -656.374207 where: bonds (distance) C4'-P energy: -123.243 bonds (distance) P-C4' energy: -143.853 flat angles C4'-P-C4' energy: -151.442 flat angles P-C4'-P energy: -98.578 tors. eta vs tors. theta energy: -139.259 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: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1706.286592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.286592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.286592 (E_RNA) where: Base-Base interactions energy: -1115.052 where: short stacking energy: -539.304 Base-Backbone interact. energy: 1.395 local terms energy: -592.629791 where: bonds (distance) C4'-P energy: -130.472 bonds (distance) P-C4' energy: -121.399 flat angles C4'-P-C4' energy: -166.268 flat angles P-C4'-P energy: -79.419 tors. eta vs tors. theta energy: -95.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1316.248532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.248532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.248532 (E_RNA) where: Base-Base interactions energy: -776.628 where: short stacking energy: -391.902 Base-Backbone interact. energy: 1.275 local terms energy: -540.895563 where: bonds (distance) C4'-P energy: -132.983 bonds (distance) P-C4' energy: -160.467 flat angles C4'-P-C4' energy: -140.586 flat angles P-C4'-P energy: -77.350 tors. eta vs tors. theta energy: -29.510 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: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3305.780099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.780099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.780099 (E_RNA) where: Base-Base interactions energy: -2352.919 where: short stacking energy: -990.752 Base-Backbone interact. energy: -3.356 local terms energy: -949.505140 where: bonds (distance) C4'-P energy: -172.468 bonds (distance) P-C4' energy: -195.845 flat angles C4'-P-C4' energy: -200.366 flat angles P-C4'-P energy: -121.886 tors. eta vs tors. theta energy: -258.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -3205.698450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.698450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.698450 (E_RNA) where: Base-Base interactions energy: -2278.792 where: short stacking energy: -942.371 Base-Backbone interact. energy: -6.900 local terms energy: -920.007055 where: bonds (distance) C4'-P energy: -189.594 bonds (distance) P-C4' energy: -169.146 flat angles C4'-P-C4' energy: -203.790 flat angles P-C4'-P energy: -109.134 tors. eta vs tors. theta energy: -248.344 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -3032.137240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.137240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.137240 (E_RNA) where: Base-Base interactions energy: -2167.980 where: short stacking energy: -868.607 Base-Backbone interact. energy: 2.506 local terms energy: -866.663174 where: bonds (distance) C4'-P energy: -170.466 bonds (distance) P-C4' energy: -163.030 flat angles C4'-P-C4' energy: -179.277 flat angles P-C4'-P energy: -141.756 tors. eta vs tors. theta energy: -212.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2987.035949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.035949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.035949 (E_RNA) where: Base-Base interactions energy: -2075.448 where: short stacking energy: -882.441 Base-Backbone interact. energy: 1.054 local terms energy: -912.641973 where: bonds (distance) C4'-P energy: -177.726 bonds (distance) P-C4' energy: -167.402 flat angles C4'-P-C4' energy: -204.752 flat angles P-C4'-P energy: -120.036 tors. eta vs tors. theta energy: -242.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2821.574781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.574781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.574781 (E_RNA) where: Base-Base interactions energy: -1992.973 where: short stacking energy: -832.898 Base-Backbone interact. energy: -4.077 local terms energy: -824.524726 where: bonds (distance) C4'-P energy: -151.561 bonds (distance) P-C4' energy: -168.040 flat angles C4'-P-C4' energy: -179.444 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -208.720 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: 166 Temperature: 1.150000 Total energy: -2628.554375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.554375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.554375 (E_RNA) where: Base-Base interactions energy: -1825.379 where: short stacking energy: -773.583 Base-Backbone interact. energy: -2.027 local terms energy: -801.148171 where: bonds (distance) C4'-P energy: -154.483 bonds (distance) P-C4' energy: -182.255 flat angles C4'-P-C4' energy: -177.719 flat angles P-C4'-P energy: -102.830 tors. eta vs tors. theta energy: -183.861 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: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2317.114506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.114506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.114506 (E_RNA) where: Base-Base interactions energy: -1578.561 where: short stacking energy: -679.281 Base-Backbone interact. energy: 1.354 local terms energy: -739.907685 where: bonds (distance) C4'-P energy: -154.574 bonds (distance) P-C4' energy: -157.937 flat angles C4'-P-C4' energy: -167.304 flat angles P-C4'-P energy: -98.433 tors. eta vs tors. theta energy: -161.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -2104.813365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2104.813365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2104.813365 (E_RNA) where: Base-Base interactions energy: -1429.432 where: short stacking energy: -587.958 Base-Backbone interact. energy: -2.111 local terms energy: -673.270336 where: bonds (distance) C4'-P energy: -136.789 bonds (distance) P-C4' energy: -168.776 flat angles C4'-P-C4' energy: -160.466 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -113.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1663.841552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.841552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.841552 (E_RNA) where: Base-Base interactions energy: -1087.199 where: short stacking energy: -479.430 Base-Backbone interact. energy: -0.118 local terms energy: -576.524498 where: bonds (distance) C4'-P energy: -131.200 bonds (distance) P-C4' energy: -138.932 flat angles C4'-P-C4' energy: -151.203 flat angles P-C4'-P energy: -83.468 tors. eta vs tors. theta energy: -71.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1223.501971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.501971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.501971 (E_RNA) where: Base-Base interactions energy: -748.504 where: short stacking energy: -349.227 Base-Backbone interact. energy: -0.548 local terms energy: -474.450468 where: bonds (distance) C4'-P energy: -163.622 bonds (distance) P-C4' energy: -122.251 flat angles C4'-P-C4' energy: -132.134 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: 1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3265.458840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.458840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.458840 (E_RNA) where: Base-Base interactions energy: -2305.646 where: short stacking energy: -969.056 Base-Backbone interact. energy: -3.842 local terms energy: -955.970978 where: bonds (distance) C4'-P energy: -189.710 bonds (distance) P-C4' energy: -186.572 flat angles C4'-P-C4' energy: -210.696 flat angles P-C4'-P energy: -122.903 tors. eta vs tors. theta energy: -246.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -3167.392615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.392615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.392615 (E_RNA) where: Base-Base interactions energy: -2252.952 where: short stacking energy: -922.028 Base-Backbone interact. energy: -4.606 local terms energy: -909.834033 where: bonds (distance) C4'-P energy: -182.075 bonds (distance) P-C4' energy: -154.301 flat angles C4'-P-C4' energy: -190.186 flat angles P-C4'-P energy: -135.974 tors. eta vs tors. theta energy: -247.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -3085.576418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.576418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.576418 (E_RNA) where: Base-Base interactions energy: -2151.585 where: short stacking energy: -919.548 Base-Backbone interact. energy: -0.167 local terms energy: -933.824681 where: bonds (distance) C4'-P energy: -171.134 bonds (distance) P-C4' energy: -184.493 flat angles C4'-P-C4' energy: -212.734 flat angles P-C4'-P energy: -135.795 tors. eta vs tors. theta energy: -229.668 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: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2964.298076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.298076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.298076 (E_RNA) where: Base-Base interactions energy: -2087.358 where: short stacking energy: -887.130 Base-Backbone interact. energy: -0.947 local terms energy: -875.993564 where: bonds (distance) C4'-P energy: -177.335 bonds (distance) P-C4' energy: -157.848 flat angles C4'-P-C4' energy: -192.671 flat angles P-C4'-P energy: -123.109 tors. eta vs tors. theta energy: -225.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2835.922442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.922442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.922442 (E_RNA) where: Base-Base interactions energy: -1977.222 where: short stacking energy: -865.281 Base-Backbone interact. energy: -2.682 local terms energy: -856.019132 where: bonds (distance) C4'-P energy: -145.120 bonds (distance) P-C4' energy: -163.063 flat angles C4'-P-C4' energy: -184.861 flat angles P-C4'-P energy: -132.882 tors. eta vs tors. theta energy: -230.092 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2541.880364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.880364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.880364 (E_RNA) where: Base-Base interactions energy: -1751.523 where: short stacking energy: -754.362 Base-Backbone interact. energy: 5.716 local terms energy: -796.073341 where: bonds (distance) C4'-P energy: -149.571 bonds (distance) P-C4' energy: -166.290 flat angles C4'-P-C4' energy: -171.397 flat angles P-C4'-P energy: -119.251 tors. eta vs tors. theta energy: -189.565 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: 7 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2308.358695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.358695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.358695 (E_RNA) where: Base-Base interactions energy: -1559.519 where: short stacking energy: -703.565 Base-Backbone interact. energy: 0.334 local terms energy: -749.174323 where: bonds (distance) C4'-P energy: -178.167 bonds (distance) P-C4' energy: -159.144 flat angles C4'-P-C4' energy: -152.585 flat angles P-C4'-P energy: -103.576 tors. eta vs tors. theta energy: -155.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -2086.262230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.262230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.262230 (E_RNA) where: Base-Base interactions energy: -1400.132 where: short stacking energy: -565.859 Base-Backbone interact. energy: -1.364 local terms energy: -684.766447 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -160.918 flat angles C4'-P-C4' energy: -154.314 flat angles P-C4'-P energy: -108.377 tors. eta vs tors. theta energy: -110.278 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: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1594.076310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.076310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.076310 (E_RNA) where: Base-Base interactions energy: -995.009 where: short stacking energy: -467.467 Base-Backbone interact. energy: -4.412 local terms energy: -594.655322 where: bonds (distance) C4'-P energy: -137.714 bonds (distance) P-C4' energy: -146.831 flat angles C4'-P-C4' energy: -149.004 flat angles P-C4'-P energy: -93.265 tors. eta vs tors. theta energy: -67.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1176.320209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.320209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.320209 (E_RNA) where: Base-Base interactions energy: -709.284 where: short stacking energy: -370.497 Base-Backbone interact. energy: 0.300 local terms energy: -467.336214 where: bonds (distance) C4'-P energy: -113.801 bonds (distance) P-C4' energy: -134.523 flat angles C4'-P-C4' energy: -141.410 flat angles P-C4'-P energy: -80.023 tors. eta vs tors. theta energy: 2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3283.652513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.652513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.652513 (E_RNA) where: Base-Base interactions energy: -2309.522 where: short stacking energy: -968.677 Base-Backbone interact. energy: -4.630 local terms energy: -969.499897 where: bonds (distance) C4'-P energy: -184.108 bonds (distance) P-C4' energy: -190.566 flat angles C4'-P-C4' energy: -208.991 flat angles P-C4'-P energy: -131.446 tors. eta vs tors. theta energy: -254.389 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: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -3155.614928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.614928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.614928 (E_RNA) where: Base-Base interactions energy: -2222.447 where: short stacking energy: -912.095 Base-Backbone interact. energy: -1.651 local terms energy: -931.517130 where: bonds (distance) C4'-P energy: -175.861 bonds (distance) P-C4' energy: -177.249 flat angles C4'-P-C4' energy: -206.125 flat angles P-C4'-P energy: -130.090 tors. eta vs tors. theta energy: -242.192 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: 5 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -3094.023942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.023942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.023942 (E_RNA) where: Base-Base interactions energy: -2161.457 where: short stacking energy: -877.225 Base-Backbone interact. energy: 1.650 local terms energy: -934.217070 where: bonds (distance) C4'-P energy: -170.002 bonds (distance) P-C4' energy: -184.174 flat angles C4'-P-C4' energy: -213.053 flat angles P-C4'-P energy: -135.300 tors. eta vs tors. theta energy: -231.688 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: 4, replica: 6 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2945.333258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.333258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.333258 (E_RNA) where: Base-Base interactions energy: -2081.114 where: short stacking energy: -864.821 Base-Backbone interact. energy: 1.094 local terms energy: -865.313249 where: bonds (distance) C4'-P energy: -160.227 bonds (distance) P-C4' energy: -154.003 flat angles C4'-P-C4' energy: -204.499 flat angles P-C4'-P energy: -120.495 tors. eta vs tors. theta energy: -226.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2849.959742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.959742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.959742 (E_RNA) where: Base-Base interactions energy: -1973.892 where: short stacking energy: -846.548 Base-Backbone interact. energy: -0.978 local terms energy: -875.089689 where: bonds (distance) C4'-P energy: -167.966 bonds (distance) P-C4' energy: -167.764 flat angles C4'-P-C4' energy: -203.058 flat angles P-C4'-P energy: -123.193 tors. eta vs tors. theta energy: -213.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2565.500042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.500042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.500042 (E_RNA) where: Base-Base interactions energy: -1781.211 where: short stacking energy: -782.296 Base-Backbone interact. energy: -0.433 local terms energy: -783.856685 where: bonds (distance) C4'-P energy: -151.513 bonds (distance) P-C4' energy: -167.148 flat angles C4'-P-C4' energy: -166.740 flat angles P-C4'-P energy: -114.115 tors. eta vs tors. theta energy: -184.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2298.256978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.256978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.256978 (E_RNA) where: Base-Base interactions energy: -1546.499 where: short stacking energy: -681.348 Base-Backbone interact. energy: -3.363 local terms energy: -748.394994 where: bonds (distance) C4'-P energy: -138.453 bonds (distance) P-C4' energy: -151.576 flat angles C4'-P-C4' energy: -173.893 flat angles P-C4'-P energy: -119.758 tors. eta vs tors. theta energy: -164.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -2093.449265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.449265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.449265 (E_RNA) where: Base-Base interactions energy: -1406.320 where: short stacking energy: -588.235 Base-Backbone interact. energy: -3.341 local terms energy: -683.787743 where: bonds (distance) C4'-P energy: -145.714 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -146.540 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -130.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1625.292255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.292255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.292255 (E_RNA) where: Base-Base interactions energy: -1081.755 where: short stacking energy: -468.523 Base-Backbone interact. energy: 0.564 local terms energy: -544.101025 where: bonds (distance) C4'-P energy: -148.048 bonds (distance) P-C4' energy: -149.548 flat angles C4'-P-C4' energy: -136.118 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: -44.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1197.104079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.104079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.104079 (E_RNA) where: Base-Base interactions energy: -703.239 where: short stacking energy: -357.347 Base-Backbone interact. energy: -0.057 local terms energy: -493.808154 where: bonds (distance) C4'-P energy: -139.947 bonds (distance) P-C4' energy: -160.851 flat angles C4'-P-C4' energy: -133.121 flat angles P-C4'-P energy: -61.651 tors. eta vs tors. theta energy: 1.762 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: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3304.898970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.898970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.898970 (E_RNA) where: Base-Base interactions energy: -2335.830 where: short stacking energy: -970.147 Base-Backbone interact. energy: 5.026 local terms energy: -974.094827 where: bonds (distance) C4'-P energy: -190.011 bonds (distance) P-C4' energy: -186.076 flat angles C4'-P-C4' energy: -209.477 flat angles P-C4'-P energy: -138.895 tors. eta vs tors. theta energy: -249.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -3232.961287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.961287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.961287 (E_RNA) where: Base-Base interactions energy: -2286.321 where: short stacking energy: -934.305 Base-Backbone interact. energy: -1.491 local terms energy: -945.148584 where: bonds (distance) C4'-P energy: -169.833 bonds (distance) P-C4' energy: -172.881 flat angles C4'-P-C4' energy: -217.531 flat angles P-C4'-P energy: -130.246 tors. eta vs tors. theta energy: -254.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -3061.948991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.948991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.948991 (E_RNA) where: Base-Base interactions energy: -2175.734 where: short stacking energy: -910.556 Base-Backbone interact. energy: -0.681 local terms energy: -885.533778 where: bonds (distance) C4'-P energy: -175.322 bonds (distance) P-C4' energy: -166.796 flat angles C4'-P-C4' energy: -195.949 flat angles P-C4'-P energy: -113.702 tors. eta vs tors. theta energy: -233.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2933.370883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.370883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.370883 (E_RNA) where: Base-Base interactions energy: -2056.775 where: short stacking energy: -868.003 Base-Backbone interact. energy: -1.214 local terms energy: -875.381546 where: bonds (distance) C4'-P energy: -146.973 bonds (distance) P-C4' energy: -168.520 flat angles C4'-P-C4' energy: -196.158 flat angles P-C4'-P energy: -132.901 tors. eta vs tors. theta energy: -230.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2845.555625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.555625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.555625 (E_RNA) where: Base-Base interactions energy: -1982.656 where: short stacking energy: -828.058 Base-Backbone interact. energy: -4.685 local terms energy: -858.214742 where: bonds (distance) C4'-P energy: -168.624 bonds (distance) P-C4' energy: -166.380 flat angles C4'-P-C4' energy: -186.603 flat angles P-C4'-P energy: -104.875 tors. eta vs tors. theta energy: -231.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2636.629687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.629687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.629687 (E_RNA) where: Base-Base interactions energy: -1829.158 where: short stacking energy: -794.335 Base-Backbone interact. energy: -4.317 local terms energy: -803.155011 where: bonds (distance) C4'-P energy: -166.027 bonds (distance) P-C4' energy: -153.110 flat angles C4'-P-C4' energy: -181.190 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -207.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2332.632137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.632137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.632137 (E_RNA) where: Base-Base interactions energy: -1591.931 where: short stacking energy: -711.796 Base-Backbone interact. energy: -3.940 local terms energy: -736.761479 where: bonds (distance) C4'-P energy: -149.238 bonds (distance) P-C4' energy: -160.406 flat angles C4'-P-C4' energy: -176.178 flat angles P-C4'-P energy: -108.683 tors. eta vs tors. theta energy: -142.257 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: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -2061.606884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.606884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.606884 (E_RNA) where: Base-Base interactions energy: -1407.132 where: short stacking energy: -602.521 Base-Backbone interact. energy: 1.572 local terms energy: -656.047346 where: bonds (distance) C4'-P energy: -127.036 bonds (distance) P-C4' energy: -182.285 flat angles C4'-P-C4' energy: -163.655 flat angles P-C4'-P energy: -59.116 tors. eta vs tors. theta energy: -123.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1657.343353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.343353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.343353 (E_RNA) where: Base-Base interactions energy: -1036.827 where: short stacking energy: -475.538 Base-Backbone interact. energy: -1.835 local terms energy: -618.680708 where: bonds (distance) C4'-P energy: -152.178 bonds (distance) P-C4' energy: -136.624 flat angles C4'-P-C4' energy: -164.053 flat angles P-C4'-P energy: -86.735 tors. eta vs tors. theta energy: -79.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1205.575919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.575919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.575919 (E_RNA) where: Base-Base interactions energy: -689.830 where: short stacking energy: -363.558 Base-Backbone interact. energy: 0.245 local terms energy: -515.990857 where: bonds (distance) C4'-P energy: -126.272 bonds (distance) P-C4' energy: -134.630 flat angles C4'-P-C4' energy: -132.689 flat angles P-C4'-P energy: -83.845 tors. eta vs tors. theta energy: -38.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3282.949214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.949214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.949214 (E_RNA) where: Base-Base interactions energy: -2324.452 where: short stacking energy: -981.604 Base-Backbone interact. energy: -0.538 local terms energy: -957.958900 where: bonds (distance) C4'-P energy: -173.290 bonds (distance) P-C4' energy: -177.244 flat angles C4'-P-C4' energy: -224.709 flat angles P-C4'-P energy: -125.985 tors. eta vs tors. theta energy: -256.731 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: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -3209.267054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.267054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.267054 (E_RNA) where: Base-Base interactions energy: -2268.030 where: short stacking energy: -925.618 Base-Backbone interact. energy: -4.676 local terms energy: -936.560924 where: bonds (distance) C4'-P energy: -161.605 bonds (distance) P-C4' energy: -191.294 flat angles C4'-P-C4' energy: -200.619 flat angles P-C4'-P energy: -127.969 tors. eta vs tors. theta energy: -255.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -3083.257128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.257128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.257128 (E_RNA) where: Base-Base interactions energy: -2178.899 where: short stacking energy: -913.781 Base-Backbone interact. energy: 0.537 local terms energy: -904.894791 where: bonds (distance) C4'-P energy: -153.084 bonds (distance) P-C4' energy: -183.580 flat angles C4'-P-C4' energy: -208.216 flat angles P-C4'-P energy: -140.387 tors. eta vs tors. theta energy: -219.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2955.429052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.429052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.429052 (E_RNA) where: Base-Base interactions energy: -2062.724 where: short stacking energy: -882.107 Base-Backbone interact. energy: -3.008 local terms energy: -889.696789 where: bonds (distance) C4'-P energy: -167.008 bonds (distance) P-C4' energy: -165.877 flat angles C4'-P-C4' energy: -192.380 flat angles P-C4'-P energy: -146.296 tors. eta vs tors. theta energy: -218.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2851.162891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.162891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.162891 (E_RNA) where: Base-Base interactions energy: -1987.055 where: short stacking energy: -829.962 Base-Backbone interact. energy: -0.981 local terms energy: -863.127450 where: bonds (distance) C4'-P energy: -168.963 bonds (distance) P-C4' energy: -157.837 flat angles C4'-P-C4' energy: -192.780 flat angles P-C4'-P energy: -126.713 tors. eta vs tors. theta energy: -216.835 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: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2595.518847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.518847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.518847 (E_RNA) where: Base-Base interactions energy: -1796.588 where: short stacking energy: -784.658 Base-Backbone interact. energy: -0.709 local terms energy: -798.222035 where: bonds (distance) C4'-P energy: -156.181 bonds (distance) P-C4' energy: -174.259 flat angles C4'-P-C4' energy: -169.946 flat angles P-C4'-P energy: -102.150 tors. eta vs tors. theta energy: -195.685 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: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2415.050478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.050478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.050478 (E_RNA) where: Base-Base interactions energy: -1618.912 where: short stacking energy: -700.907 Base-Backbone interact. energy: -1.408 local terms energy: -794.731355 where: bonds (distance) C4'-P energy: -161.986 bonds (distance) P-C4' energy: -162.002 flat angles C4'-P-C4' energy: -169.402 flat angles P-C4'-P energy: -132.869 tors. eta vs tors. theta energy: -168.473 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: 170 Temperature: 1.250000 Total energy: -2099.822101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.822101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.822101 (E_RNA) where: Base-Base interactions energy: -1452.783 where: short stacking energy: -607.813 Base-Backbone interact. energy: -3.774 local terms energy: -643.264459 where: bonds (distance) C4'-P energy: -130.762 bonds (distance) P-C4' energy: -158.619 flat angles C4'-P-C4' energy: -156.374 flat angles P-C4'-P energy: -81.509 tors. eta vs tors. theta energy: -116.000 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: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1694.224691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.224691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.224691 (E_RNA) where: Base-Base interactions energy: -1080.443 where: short stacking energy: -502.167 Base-Backbone interact. energy: 0.659 local terms energy: -614.440790 where: bonds (distance) C4'-P energy: -124.704 bonds (distance) P-C4' energy: -164.860 flat angles C4'-P-C4' energy: -146.942 flat angles P-C4'-P energy: -95.390 tors. eta vs tors. theta energy: -82.545 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: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1347.995230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.995230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.995230 (E_RNA) where: Base-Base interactions energy: -840.574 where: short stacking energy: -390.088 Base-Backbone interact. energy: 3.811 local terms energy: -511.232314 where: bonds (distance) C4'-P energy: -146.779 bonds (distance) P-C4' energy: -146.012 flat angles C4'-P-C4' energy: -127.767 flat angles P-C4'-P energy: -67.835 tors. eta vs tors. theta energy: -22.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3298.883210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.883210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.883210 (E_RNA) where: Base-Base interactions energy: -2365.539 where: short stacking energy: -968.798 Base-Backbone interact. energy: -2.472 local terms energy: -930.871304 where: bonds (distance) C4'-P energy: -168.199 bonds (distance) P-C4' energy: -180.556 flat angles C4'-P-C4' energy: -209.121 flat angles P-C4'-P energy: -126.817 tors. eta vs tors. theta energy: -246.178 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: 171 Temperature: 0.950000 Total energy: -3214.496144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.496144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.496144 (E_RNA) where: Base-Base interactions energy: -2279.073 where: short stacking energy: -946.686 Base-Backbone interact. energy: 1.469 local terms energy: -936.892754 where: bonds (distance) C4'-P energy: -171.628 bonds (distance) P-C4' energy: -183.237 flat angles C4'-P-C4' energy: -208.005 flat angles P-C4'-P energy: -135.293 tors. eta vs tors. theta energy: -238.729 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: 171 Temperature: 1.000000 Total energy: -3062.958913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.958913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.958913 (E_RNA) where: Base-Base interactions energy: -2156.895 where: short stacking energy: -897.023 Base-Backbone interact. energy: -4.871 local terms energy: -901.192695 where: bonds (distance) C4'-P energy: -177.359 bonds (distance) P-C4' energy: -180.476 flat angles C4'-P-C4' energy: -189.373 flat angles P-C4'-P energy: -129.336 tors. eta vs tors. theta energy: -224.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2944.306946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.306946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.306946 (E_RNA) where: Base-Base interactions energy: -2060.213 where: short stacking energy: -858.345 Base-Backbone interact. energy: 0.782 local terms energy: -884.875616 where: bonds (distance) C4'-P energy: -162.994 bonds (distance) P-C4' energy: -179.654 flat angles C4'-P-C4' energy: -185.221 flat angles P-C4'-P energy: -133.647 tors. eta vs tors. theta energy: -223.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2821.016431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.016431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.016431 (E_RNA) where: Base-Base interactions energy: -1970.983 where: short stacking energy: -824.218 Base-Backbone interact. energy: -0.544 local terms energy: -849.488959 where: bonds (distance) C4'-P energy: -171.049 bonds (distance) P-C4' energy: -161.643 flat angles C4'-P-C4' energy: -177.569 flat angles P-C4'-P energy: -121.472 tors. eta vs tors. theta energy: -217.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2541.963168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.963168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.963168 (E_RNA) where: Base-Base interactions energy: -1741.399 where: short stacking energy: -759.776 Base-Backbone interact. energy: 2.549 local terms energy: -803.113028 where: bonds (distance) C4'-P energy: -176.328 bonds (distance) P-C4' energy: -155.836 flat angles C4'-P-C4' energy: -172.240 flat angles P-C4'-P energy: -111.809 tors. eta vs tors. theta energy: -186.900 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: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2353.349498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.349498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.349498 (E_RNA) where: Base-Base interactions energy: -1620.733 where: short stacking energy: -705.779 Base-Backbone interact. energy: -2.162 local terms energy: -730.454679 where: bonds (distance) C4'-P energy: -144.148 bonds (distance) P-C4' energy: -136.197 flat angles C4'-P-C4' energy: -172.779 flat angles P-C4'-P energy: -111.596 tors. eta vs tors. theta energy: -165.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2138.346957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.346957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.346957 (E_RNA) where: Base-Base interactions energy: -1463.119 where: short stacking energy: -621.524 Base-Backbone interact. energy: -2.557 local terms energy: -672.671137 where: bonds (distance) C4'-P energy: -134.857 bonds (distance) P-C4' energy: -171.632 flat angles C4'-P-C4' energy: -131.474 flat angles P-C4'-P energy: -101.867 tors. eta vs tors. theta energy: -132.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1682.524309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.524309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.524309 (E_RNA) where: Base-Base interactions energy: -1090.403 where: short stacking energy: -510.281 Base-Backbone interact. energy: 0.884 local terms energy: -593.004874 where: bonds (distance) C4'-P energy: -135.516 bonds (distance) P-C4' energy: -156.198 flat angles C4'-P-C4' energy: -145.415 flat angles P-C4'-P energy: -61.400 tors. eta vs tors. theta energy: -94.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1340.387649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.387649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.387649 (E_RNA) where: Base-Base interactions energy: -810.763 where: short stacking energy: -374.094 Base-Backbone interact. energy: -1.606 local terms energy: -528.018585 where: bonds (distance) C4'-P energy: -142.065 bonds (distance) P-C4' energy: -148.867 flat angles C4'-P-C4' energy: -142.409 flat angles P-C4'-P energy: -86.694 tors. eta vs tors. theta energy: -7.984 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: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3301.725823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.725823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.725823 (E_RNA) where: Base-Base interactions energy: -2340.109 where: short stacking energy: -954.034 Base-Backbone interact. energy: -7.941 local terms energy: -953.675742 where: bonds (distance) C4'-P energy: -172.090 bonds (distance) P-C4' energy: -193.008 flat angles C4'-P-C4' energy: -212.566 flat angles P-C4'-P energy: -130.312 tors. eta vs tors. theta energy: -245.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -3195.436977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.436977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.436977 (E_RNA) where: Base-Base interactions energy: -2241.939 where: short stacking energy: -933.950 Base-Backbone interact. energy: -5.785 local terms energy: -947.713113 where: bonds (distance) C4'-P energy: -185.024 bonds (distance) P-C4' energy: -185.030 flat angles C4'-P-C4' energy: -205.550 flat angles P-C4'-P energy: -121.734 tors. eta vs tors. theta energy: -250.375 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: 172 Temperature: 1.000000 Total energy: -3081.541873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.541873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.541873 (E_RNA) where: Base-Base interactions energy: -2210.460 where: short stacking energy: -884.702 Base-Backbone interact. energy: -4.827 local terms energy: -866.254988 where: bonds (distance) C4'-P energy: -177.970 bonds (distance) P-C4' energy: -175.723 flat angles C4'-P-C4' energy: -175.882 flat angles P-C4'-P energy: -121.275 tors. eta vs tors. theta energy: -215.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -3008.011193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.011193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.011193 (E_RNA) where: Base-Base interactions energy: -2112.725 where: short stacking energy: -884.759 Base-Backbone interact. energy: -2.155 local terms energy: -893.131906 where: bonds (distance) C4'-P energy: -154.730 bonds (distance) P-C4' energy: -174.544 flat angles C4'-P-C4' energy: -187.951 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -248.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2793.921346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.921346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.921346 (E_RNA) where: Base-Base interactions energy: -1940.039 where: short stacking energy: -810.171 Base-Backbone interact. energy: -2.227 local terms energy: -851.655214 where: bonds (distance) C4'-P energy: -165.095 bonds (distance) P-C4' energy: -167.682 flat angles C4'-P-C4' energy: -182.519 flat angles P-C4'-P energy: -109.906 tors. eta vs tors. theta energy: -226.452 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: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2537.445685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.445685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.445685 (E_RNA) where: Base-Base interactions energy: -1731.109 where: short stacking energy: -777.217 Base-Backbone interact. energy: 0.033 local terms energy: -806.369917 where: bonds (distance) C4'-P energy: -150.201 bonds (distance) P-C4' energy: -180.109 flat angles C4'-P-C4' energy: -176.689 flat angles P-C4'-P energy: -116.156 tors. eta vs tors. theta energy: -183.214 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: 7 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2385.522282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.522282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.522282 (E_RNA) where: Base-Base interactions energy: -1621.580 where: short stacking energy: -697.819 Base-Backbone interact. energy: -3.035 local terms energy: -760.906905 where: bonds (distance) C4'-P energy: -152.157 bonds (distance) P-C4' energy: -166.298 flat angles C4'-P-C4' energy: -174.572 flat angles P-C4'-P energy: -109.182 tors. eta vs tors. theta energy: -158.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2120.489818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2120.489818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2120.489818 (E_RNA) where: Base-Base interactions energy: -1446.848 where: short stacking energy: -602.022 Base-Backbone interact. energy: -2.249 local terms energy: -671.392733 where: bonds (distance) C4'-P energy: -145.690 bonds (distance) P-C4' energy: -165.056 flat angles C4'-P-C4' energy: -146.683 flat angles P-C4'-P energy: -99.470 tors. eta vs tors. theta energy: -114.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1755.115030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.115030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.115030 (E_RNA) where: Base-Base interactions energy: -1165.270 where: short stacking energy: -555.886 Base-Backbone interact. energy: 0.762 local terms energy: -590.607327 where: bonds (distance) C4'-P energy: -117.409 bonds (distance) P-C4' energy: -146.140 flat angles C4'-P-C4' energy: -155.335 flat angles P-C4'-P energy: -84.758 tors. eta vs tors. theta energy: -86.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1285.879096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.879096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.879096 (E_RNA) where: Base-Base interactions energy: -779.598 where: short stacking energy: -397.876 Base-Backbone interact. energy: 7.396 local terms energy: -513.677044 where: bonds (distance) C4'-P energy: -116.178 bonds (distance) P-C4' energy: -138.384 flat angles C4'-P-C4' energy: -150.692 flat angles P-C4'-P energy: -81.203 tors. eta vs tors. theta energy: -27.219 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3290.690716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.690716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.690716 (E_RNA) where: Base-Base interactions energy: -2326.266 where: short stacking energy: -965.484 Base-Backbone interact. energy: 1.662 local terms energy: -966.086631 where: bonds (distance) C4'-P energy: -177.587 bonds (distance) P-C4' energy: -183.219 flat angles C4'-P-C4' energy: -215.998 flat angles P-C4'-P energy: -142.641 tors. eta vs tors. theta energy: -246.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -3180.756546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.756546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.756546 (E_RNA) where: Base-Base interactions energy: -2253.305 where: short stacking energy: -935.506 Base-Backbone interact. energy: -6.984 local terms energy: -920.467252 where: bonds (distance) C4'-P energy: -188.090 bonds (distance) P-C4' energy: -174.176 flat angles C4'-P-C4' energy: -186.469 flat angles P-C4'-P energy: -121.725 tors. eta vs tors. theta energy: -250.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -3063.171349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.171349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.171349 (E_RNA) where: Base-Base interactions energy: -2132.917 where: short stacking energy: -893.744 Base-Backbone interact. energy: 0.139 local terms energy: -930.393808 where: bonds (distance) C4'-P energy: -177.364 bonds (distance) P-C4' energy: -174.596 flat angles C4'-P-C4' energy: -203.402 flat angles P-C4'-P energy: -134.641 tors. eta vs tors. theta energy: -240.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -3005.843681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.843681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.843681 (E_RNA) where: Base-Base interactions energy: -2147.388 where: short stacking energy: -844.455 Base-Backbone interact. energy: -0.044 local terms energy: -858.411699 where: bonds (distance) C4'-P energy: -163.385 bonds (distance) P-C4' energy: -174.292 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -110.633 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: 1 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2743.276418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.276418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.276418 (E_RNA) where: Base-Base interactions energy: -1893.244 where: short stacking energy: -787.527 Base-Backbone interact. energy: -3.710 local terms energy: -846.321814 where: bonds (distance) C4'-P energy: -162.432 bonds (distance) P-C4' energy: -170.919 flat angles C4'-P-C4' energy: -178.221 flat angles P-C4'-P energy: -134.693 tors. eta vs tors. theta energy: -200.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2537.837050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.837050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.837050 (E_RNA) where: Base-Base interactions energy: -1762.199 where: short stacking energy: -813.262 Base-Backbone interact. energy: -3.321 local terms energy: -772.316729 where: bonds (distance) C4'-P energy: -127.182 bonds (distance) P-C4' energy: -163.671 flat angles C4'-P-C4' energy: -179.123 flat angles P-C4'-P energy: -114.494 tors. eta vs tors. theta energy: -187.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2368.420475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.420475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.420475 (E_RNA) where: Base-Base interactions energy: -1608.740 where: short stacking energy: -684.025 Base-Backbone interact. energy: -2.908 local terms energy: -756.772808 where: bonds (distance) C4'-P energy: -173.966 bonds (distance) P-C4' energy: -157.653 flat angles C4'-P-C4' energy: -166.621 flat angles P-C4'-P energy: -111.505 tors. eta vs tors. theta energy: -147.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -2171.291051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.291051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.291051 (E_RNA) where: Base-Base interactions energy: -1492.506 where: short stacking energy: -634.137 Base-Backbone interact. energy: -4.527 local terms energy: -674.257630 where: bonds (distance) C4'-P energy: -151.631 bonds (distance) P-C4' energy: -153.849 flat angles C4'-P-C4' energy: -138.107 flat angles P-C4'-P energy: -103.030 tors. eta vs tors. theta energy: -127.641 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: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1751.053069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.053069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.053069 (E_RNA) where: Base-Base interactions energy: -1138.289 where: short stacking energy: -506.619 Base-Backbone interact. energy: -1.740 local terms energy: -611.024079 where: bonds (distance) C4'-P energy: -148.119 bonds (distance) P-C4' energy: -144.967 flat angles C4'-P-C4' energy: -137.159 flat angles P-C4'-P energy: -92.299 tors. eta vs tors. theta energy: -88.481 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: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1278.142219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.142219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.142219 (E_RNA) where: Base-Base interactions energy: -743.951 where: short stacking energy: -389.428 Base-Backbone interact. energy: 0.544 local terms energy: -534.734678 where: bonds (distance) C4'-P energy: -143.533 bonds (distance) P-C4' energy: -126.513 flat angles C4'-P-C4' energy: -134.585 flat angles P-C4'-P energy: -95.310 tors. eta vs tors. theta energy: -34.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3278.439295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.439295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.439295 (E_RNA) where: Base-Base interactions energy: -2335.785 where: short stacking energy: -942.461 Base-Backbone interact. energy: -8.122 local terms energy: -934.532721 where: bonds (distance) C4'-P energy: -166.371 bonds (distance) P-C4' energy: -188.249 flat angles C4'-P-C4' energy: -199.649 flat angles P-C4'-P energy: -130.030 tors. eta vs tors. theta energy: -250.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -3174.428160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3174.428160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3174.428160 (E_RNA) where: Base-Base interactions energy: -2233.541 where: short stacking energy: -950.117 Base-Backbone interact. energy: -4.264 local terms energy: -936.623649 where: bonds (distance) C4'-P energy: -165.452 bonds (distance) P-C4' energy: -186.501 flat angles C4'-P-C4' energy: -206.765 flat angles P-C4'-P energy: -136.588 tors. eta vs tors. theta energy: -241.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -3052.436149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.436149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.436149 (E_RNA) where: Base-Base interactions energy: -2138.229 where: short stacking energy: -911.857 Base-Backbone interact. energy: 0.254 local terms energy: -914.461656 where: bonds (distance) C4'-P energy: -165.650 bonds (distance) P-C4' energy: -169.121 flat angles C4'-P-C4' energy: -204.249 flat angles P-C4'-P energy: -129.936 tors. eta vs tors. theta energy: -245.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2958.760919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.760919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.760919 (E_RNA) where: Base-Base interactions energy: -2081.027 where: short stacking energy: -853.684 Base-Backbone interact. energy: -2.175 local terms energy: -875.559217 where: bonds (distance) C4'-P energy: -160.792 bonds (distance) P-C4' energy: -174.879 flat angles C4'-P-C4' energy: -188.967 flat angles P-C4'-P energy: -127.592 tors. eta vs tors. theta energy: -223.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2705.944580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.944580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.944580 (E_RNA) where: Base-Base interactions energy: -1891.024 where: short stacking energy: -817.729 Base-Backbone interact. energy: 0.258 local terms energy: -815.178880 where: bonds (distance) C4'-P energy: -152.872 bonds (distance) P-C4' energy: -156.477 flat angles C4'-P-C4' energy: -189.735 flat angles P-C4'-P energy: -108.854 tors. eta vs tors. theta energy: -207.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2570.668246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.668246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.668246 (E_RNA) where: Base-Base interactions energy: -1764.542 where: short stacking energy: -793.698 Base-Backbone interact. energy: -2.994 local terms energy: -803.132306 where: bonds (distance) C4'-P energy: -150.482 bonds (distance) P-C4' energy: -157.074 flat angles C4'-P-C4' energy: -192.811 flat angles P-C4'-P energy: -109.003 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: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2302.194071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.194071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.194071 (E_RNA) where: Base-Base interactions energy: -1555.214 where: short stacking energy: -668.683 Base-Backbone interact. energy: 6.737 local terms energy: -753.716524 where: bonds (distance) C4'-P energy: -152.606 bonds (distance) P-C4' energy: -165.747 flat angles C4'-P-C4' energy: -189.768 flat angles P-C4'-P energy: -107.122 tors. eta vs tors. theta energy: -138.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2126.444454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2126.444454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2126.444454 (E_RNA) where: Base-Base interactions energy: -1462.500 where: short stacking energy: -623.625 Base-Backbone interact. energy: 1.764 local terms energy: -665.708315 where: bonds (distance) C4'-P energy: -135.587 bonds (distance) P-C4' energy: -138.768 flat angles C4'-P-C4' energy: -167.972 flat angles P-C4'-P energy: -97.899 tors. eta vs tors. theta energy: -125.483 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: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1740.492349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.492349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.492349 (E_RNA) where: Base-Base interactions energy: -1075.197 where: short stacking energy: -533.182 Base-Backbone interact. energy: -1.965 local terms energy: -663.330916 where: bonds (distance) C4'-P energy: -160.676 bonds (distance) P-C4' energy: -146.022 flat angles C4'-P-C4' energy: -163.412 flat angles P-C4'-P energy: -91.493 tors. eta vs tors. theta energy: -101.727 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: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1325.023011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.023011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.023011 (E_RNA) where: Base-Base interactions energy: -810.966 where: short stacking energy: -381.786 Base-Backbone interact. energy: 4.237 local terms energy: -518.294232 where: bonds (distance) C4'-P energy: -136.974 bonds (distance) P-C4' energy: -162.665 flat angles C4'-P-C4' energy: -131.378 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -29.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3292.005291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.005291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.005291 (E_RNA) where: Base-Base interactions energy: -2349.336 where: short stacking energy: -976.292 Base-Backbone interact. energy: -5.073 local terms energy: -937.596457 where: bonds (distance) C4'-P energy: -198.193 bonds (distance) P-C4' energy: -166.081 flat angles C4'-P-C4' energy: -205.886 flat angles P-C4'-P energy: -127.225 tors. eta vs tors. theta energy: -240.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -3183.437970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.437970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.437970 (E_RNA) where: Base-Base interactions energy: -2239.094 where: short stacking energy: -934.836 Base-Backbone interact. energy: -5.964 local terms energy: -938.380149 where: bonds (distance) C4'-P energy: -155.334 bonds (distance) P-C4' energy: -186.602 flat angles C4'-P-C4' energy: -212.180 flat angles P-C4'-P energy: -140.968 tors. eta vs tors. theta energy: -243.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -3073.945731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.945731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.945731 (E_RNA) where: Base-Base interactions energy: -2156.250 where: short stacking energy: -884.624 Base-Backbone interact. energy: -1.384 local terms energy: -916.311600 where: bonds (distance) C4'-P energy: -165.209 bonds (distance) P-C4' energy: -179.634 flat angles C4'-P-C4' energy: -204.529 flat angles P-C4'-P energy: -140.787 tors. eta vs tors. theta energy: -226.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2979.154518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.154518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.154518 (E_RNA) where: Base-Base interactions energy: -2112.229 where: short stacking energy: -916.603 Base-Backbone interact. energy: -1.582 local terms energy: -865.343271 where: bonds (distance) C4'-P energy: -161.740 bonds (distance) P-C4' energy: -155.014 flat angles C4'-P-C4' energy: -206.905 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -234.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2778.775539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.775539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.775539 (E_RNA) where: Base-Base interactions energy: -1932.119 where: short stacking energy: -835.975 Base-Backbone interact. energy: 0.366 local terms energy: -847.021866 where: bonds (distance) C4'-P energy: -162.147 bonds (distance) P-C4' energy: -162.313 flat angles C4'-P-C4' energy: -185.667 flat angles P-C4'-P energy: -118.494 tors. eta vs tors. theta energy: -218.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2585.778752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.778752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.778752 (E_RNA) where: Base-Base interactions energy: -1771.926 where: short stacking energy: -793.459 Base-Backbone interact. energy: 6.618 local terms energy: -820.470196 where: bonds (distance) C4'-P energy: -153.772 bonds (distance) P-C4' energy: -169.574 flat angles C4'-P-C4' energy: -194.922 flat angles P-C4'-P energy: -112.675 tors. eta vs tors. theta energy: -189.528 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: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2325.622065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.622065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.622065 (E_RNA) where: Base-Base interactions energy: -1540.869 where: short stacking energy: -642.078 Base-Backbone interact. energy: -3.003 local terms energy: -781.749567 where: bonds (distance) C4'-P energy: -165.427 bonds (distance) P-C4' energy: -170.142 flat angles C4'-P-C4' energy: -185.850 flat angles P-C4'-P energy: -110.341 tors. eta vs tors. theta energy: -149.989 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: 8, replica: 10 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2094.930381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.930381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.930381 (E_RNA) where: Base-Base interactions energy: -1415.125 where: short stacking energy: -602.314 Base-Backbone interact. energy: 3.187 local terms energy: -682.992973 where: bonds (distance) C4'-P energy: -139.915 bonds (distance) P-C4' energy: -171.596 flat angles C4'-P-C4' energy: -153.726 flat angles P-C4'-P energy: -106.825 tors. eta vs tors. theta energy: -110.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1753.389909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.389909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.389909 (E_RNA) where: Base-Base interactions energy: -1143.049 where: short stacking energy: -512.000 Base-Backbone interact. energy: -1.067 local terms energy: -609.272971 where: bonds (distance) C4'-P energy: -135.191 bonds (distance) P-C4' energy: -153.757 flat angles C4'-P-C4' energy: -148.946 flat angles P-C4'-P energy: -86.928 tors. eta vs tors. theta energy: -84.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1407.424913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.424913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.424913 (E_RNA) where: Base-Base interactions energy: -841.424 where: short stacking energy: -400.917 Base-Backbone interact. energy: 1.339 local terms energy: -567.339729 where: bonds (distance) C4'-P energy: -135.967 bonds (distance) P-C4' energy: -145.989 flat angles C4'-P-C4' energy: -155.146 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -48.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3288.989038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.989038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.989038 (E_RNA) where: Base-Base interactions energy: -2317.133 where: short stacking energy: -960.538 Base-Backbone interact. energy: -4.615 local terms energy: -967.241415 where: bonds (distance) C4'-P energy: -181.609 bonds (distance) P-C4' energy: -186.805 flat angles C4'-P-C4' energy: -209.523 flat angles P-C4'-P energy: -143.572 tors. eta vs tors. theta energy: -245.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -3183.889874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.889874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.889874 (E_RNA) where: Base-Base interactions energy: -2239.270 where: short stacking energy: -930.305 Base-Backbone interact. energy: -4.884 local terms energy: -939.735562 where: bonds (distance) C4'-P energy: -170.302 bonds (distance) P-C4' energy: -180.610 flat angles C4'-P-C4' energy: -205.485 flat angles P-C4'-P energy: -132.007 tors. eta vs tors. theta energy: -251.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -3096.033111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.033111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.033111 (E_RNA) where: Base-Base interactions energy: -2184.540 where: short stacking energy: -908.193 Base-Backbone interact. energy: 0.895 local terms energy: -912.388125 where: bonds (distance) C4'-P energy: -165.383 bonds (distance) P-C4' energy: -194.147 flat angles C4'-P-C4' energy: -183.562 flat angles P-C4'-P energy: -138.569 tors. eta vs tors. theta energy: -230.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2985.889938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.889938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.889938 (E_RNA) where: Base-Base interactions energy: -2112.368 where: short stacking energy: -885.341 Base-Backbone interact. energy: 3.174 local terms energy: -876.695854 where: bonds (distance) C4'-P energy: -158.447 bonds (distance) P-C4' energy: -170.822 flat angles C4'-P-C4' energy: -185.085 flat angles P-C4'-P energy: -120.400 tors. eta vs tors. theta energy: -241.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2714.906222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.906222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.906222 (E_RNA) where: Base-Base interactions energy: -1919.951 where: short stacking energy: -832.922 Base-Backbone interact. energy: -2.515 local terms energy: -792.440060 where: bonds (distance) C4'-P energy: -134.611 bonds (distance) P-C4' energy: -159.041 flat angles C4'-P-C4' energy: -181.721 flat angles P-C4'-P energy: -121.648 tors. eta vs tors. theta energy: -195.419 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2648.316243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.316243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.316243 (E_RNA) where: Base-Base interactions energy: -1861.405 where: short stacking energy: -798.049 Base-Backbone interact. energy: -5.628 local terms energy: -781.282492 where: bonds (distance) C4'-P energy: -139.130 bonds (distance) P-C4' energy: -164.099 flat angles C4'-P-C4' energy: -172.101 flat angles P-C4'-P energy: -118.889 tors. eta vs tors. theta energy: -187.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -2379.481155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.481155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.481155 (E_RNA) where: Base-Base interactions energy: -1659.385 where: short stacking energy: -691.712 Base-Backbone interact. energy: -0.213 local terms energy: -719.883739 where: bonds (distance) C4'-P energy: -151.658 bonds (distance) P-C4' energy: -146.563 flat angles C4'-P-C4' energy: -159.631 flat angles P-C4'-P energy: -93.201 tors. eta vs tors. theta energy: -168.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -2040.370956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.370956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.370956 (E_RNA) where: Base-Base interactions energy: -1383.226 where: short stacking energy: -594.969 Base-Backbone interact. energy: 1.577 local terms energy: -658.721126 where: bonds (distance) C4'-P energy: -134.044 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -137.931 flat angles P-C4'-P energy: -112.376 tors. eta vs tors. theta energy: -110.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1738.111578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.111578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.111578 (E_RNA) where: Base-Base interactions energy: -1131.180 where: short stacking energy: -520.496 Base-Backbone interact. energy: -0.165 local terms energy: -606.766683 where: bonds (distance) C4'-P energy: -125.187 bonds (distance) P-C4' energy: -163.818 flat angles C4'-P-C4' energy: -151.242 flat angles P-C4'-P energy: -75.910 tors. eta vs tors. theta energy: -90.610 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: 9 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1317.758055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.758055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.758055 (E_RNA) where: Base-Base interactions energy: -805.726 where: short stacking energy: -382.009 Base-Backbone interact. energy: 1.235 local terms energy: -513.267261 where: bonds (distance) C4'-P energy: -116.059 bonds (distance) P-C4' energy: -151.420 flat angles C4'-P-C4' energy: -140.104 flat angles P-C4'-P energy: -84.182 tors. eta vs tors. theta energy: -21.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3254.406387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.406387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.406387 (E_RNA) where: Base-Base interactions energy: -2271.793 where: short stacking energy: -947.042 Base-Backbone interact. energy: -3.180 local terms energy: -979.432555 where: bonds (distance) C4'-P energy: -192.655 bonds (distance) P-C4' energy: -201.080 flat angles C4'-P-C4' energy: -203.511 flat angles P-C4'-P energy: -130.928 tors. eta vs tors. theta energy: -251.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -3182.733067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.733067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.733067 (E_RNA) where: Base-Base interactions energy: -2256.257 where: short stacking energy: -915.175 Base-Backbone interact. energy: -5.048 local terms energy: -921.428306 where: bonds (distance) C4'-P energy: -180.008 bonds (distance) P-C4' energy: -186.857 flat angles C4'-P-C4' energy: -199.538 flat angles P-C4'-P energy: -122.256 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: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -3137.321773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.321773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.321773 (E_RNA) where: Base-Base interactions energy: -2211.800 where: short stacking energy: -904.946 Base-Backbone interact. energy: -2.894 local terms energy: -922.627098 where: bonds (distance) C4'-P energy: -167.899 bonds (distance) P-C4' energy: -174.712 flat angles C4'-P-C4' energy: -205.304 flat angles P-C4'-P energy: -131.934 tors. eta vs tors. theta energy: -242.779 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: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -3025.026842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.026842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.026842 (E_RNA) where: Base-Base interactions energy: -2137.745 where: short stacking energy: -893.621 Base-Backbone interact. energy: 3.042 local terms energy: -890.323297 where: bonds (distance) C4'-P energy: -148.173 bonds (distance) P-C4' energy: -180.894 flat angles C4'-P-C4' energy: -187.167 flat angles P-C4'-P energy: -136.461 tors. eta vs tors. theta energy: -237.629 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: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2799.599591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.599591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.599591 (E_RNA) where: Base-Base interactions energy: -1928.360 where: short stacking energy: -827.319 Base-Backbone interact. energy: -0.898 local terms energy: -870.341528 where: bonds (distance) C4'-P energy: -155.333 bonds (distance) P-C4' energy: -173.787 flat angles C4'-P-C4' energy: -189.600 flat angles P-C4'-P energy: -134.712 tors. eta vs tors. theta energy: -216.910 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: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2692.727764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.727764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.727764 (E_RNA) where: Base-Base interactions energy: -1841.897 where: short stacking energy: -802.732 Base-Backbone interact. energy: -1.764 local terms energy: -849.067422 where: bonds (distance) C4'-P energy: -158.139 bonds (distance) P-C4' energy: -177.827 flat angles C4'-P-C4' energy: -171.834 flat angles P-C4'-P energy: -127.151 tors. eta vs tors. theta energy: -214.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2338.244857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.244857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.244857 (E_RNA) where: Base-Base interactions energy: -1592.136 where: short stacking energy: -679.940 Base-Backbone interact. energy: 4.905 local terms energy: -751.013557 where: bonds (distance) C4'-P energy: -147.362 bonds (distance) P-C4' energy: -158.438 flat angles C4'-P-C4' energy: -185.921 flat angles P-C4'-P energy: -97.966 tors. eta vs tors. theta energy: -161.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2044.163286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.163286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.163286 (E_RNA) where: Base-Base interactions energy: -1389.889 where: short stacking energy: -618.806 Base-Backbone interact. energy: 2.572 local terms energy: -656.846771 where: bonds (distance) C4'-P energy: -131.388 bonds (distance) P-C4' energy: -153.154 flat angles C4'-P-C4' energy: -154.521 flat angles P-C4'-P energy: -93.103 tors. eta vs tors. theta energy: -124.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1692.590753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.590753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.590753 (E_RNA) where: Base-Base interactions energy: -1080.916 where: short stacking energy: -523.119 Base-Backbone interact. energy: -3.825 local terms energy: -607.849438 where: bonds (distance) C4'-P energy: -136.979 bonds (distance) P-C4' energy: -152.281 flat angles C4'-P-C4' energy: -139.147 flat angles P-C4'-P energy: -105.506 tors. eta vs tors. theta energy: -73.937 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: 9 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1305.065200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.065200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.065200 (E_RNA) where: Base-Base interactions energy: -776.718 where: short stacking energy: -402.316 Base-Backbone interact. energy: -3.428 local terms energy: -524.919737 where: bonds (distance) C4'-P energy: -130.858 bonds (distance) P-C4' energy: -144.339 flat angles C4'-P-C4' energy: -137.653 flat angles P-C4'-P energy: -84.199 tors. eta vs tors. theta energy: -27.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3251.887579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.887579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.887579 (E_RNA) where: Base-Base interactions energy: -2289.637 where: short stacking energy: -965.575 Base-Backbone interact. energy: 0.148 local terms energy: -962.398418 where: bonds (distance) C4'-P energy: -174.166 bonds (distance) P-C4' energy: -181.734 flat angles C4'-P-C4' energy: -219.409 flat angles P-C4'-P energy: -138.739 tors. eta vs tors. theta energy: -248.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -3186.499513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.499513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.499513 (E_RNA) where: Base-Base interactions energy: -2262.887 where: short stacking energy: -947.339 Base-Backbone interact. energy: 0.986 local terms energy: -924.598854 where: bonds (distance) C4'-P energy: -163.497 bonds (distance) P-C4' energy: -171.338 flat angles C4'-P-C4' energy: -205.626 flat angles P-C4'-P energy: -143.639 tors. eta vs tors. theta energy: -240.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -3104.330179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.330179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.330179 (E_RNA) where: Base-Base interactions energy: -2214.461 where: short stacking energy: -901.518 Base-Backbone interact. energy: -5.342 local terms energy: -884.527997 where: bonds (distance) C4'-P energy: -163.575 bonds (distance) P-C4' energy: -176.474 flat angles C4'-P-C4' energy: -186.687 flat angles P-C4'-P energy: -119.360 tors. eta vs tors. theta energy: -238.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -3052.329543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.329543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.329543 (E_RNA) where: Base-Base interactions energy: -2169.832 where: short stacking energy: -905.858 Base-Backbone interact. energy: -0.570 local terms energy: -881.927372 where: bonds (distance) C4'-P energy: -147.831 bonds (distance) P-C4' energy: -159.029 flat angles C4'-P-C4' energy: -198.009 flat angles P-C4'-P energy: -121.630 tors. eta vs tors. theta energy: -255.428 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: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2768.623258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.623258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.623258 (E_RNA) where: Base-Base interactions energy: -1907.832 where: short stacking energy: -830.025 Base-Backbone interact. energy: 0.590 local terms energy: -861.381827 where: bonds (distance) C4'-P energy: -152.158 bonds (distance) P-C4' energy: -172.759 flat angles C4'-P-C4' energy: -181.319 flat angles P-C4'-P energy: -129.544 tors. eta vs tors. theta energy: -225.602 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: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2617.766188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.766188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.766188 (E_RNA) where: Base-Base interactions energy: -1814.464 where: short stacking energy: -833.441 Base-Backbone interact. energy: -7.263 local terms energy: -796.039153 where: bonds (distance) C4'-P energy: -156.547 bonds (distance) P-C4' energy: -155.400 flat angles C4'-P-C4' energy: -183.621 flat angles P-C4'-P energy: -102.435 tors. eta vs tors. theta energy: -198.037 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: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2316.473462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.473462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.473462 (E_RNA) where: Base-Base interactions energy: -1575.255 where: short stacking energy: -677.449 Base-Backbone interact. energy: -0.861 local terms energy: -740.358359 where: bonds (distance) C4'-P energy: -141.580 bonds (distance) P-C4' energy: -153.530 flat angles C4'-P-C4' energy: -182.784 flat angles P-C4'-P energy: -100.231 tors. eta vs tors. theta energy: -162.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2112.060197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2112.060197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2112.060197 (E_RNA) where: Base-Base interactions energy: -1435.509 where: short stacking energy: -588.371 Base-Backbone interact. energy: 6.476 local terms energy: -683.027428 where: bonds (distance) C4'-P energy: -142.134 bonds (distance) P-C4' energy: -164.071 flat angles C4'-P-C4' energy: -165.700 flat angles P-C4'-P energy: -99.342 tors. eta vs tors. theta energy: -111.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1805.604907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.604907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.604907 (E_RNA) where: Base-Base interactions energy: -1173.024 where: short stacking energy: -539.028 Base-Backbone interact. energy: 2.501 local terms energy: -635.081786 where: bonds (distance) C4'-P energy: -127.794 bonds (distance) P-C4' energy: -165.166 flat angles C4'-P-C4' energy: -156.075 flat angles P-C4'-P energy: -94.141 tors. eta vs tors. theta energy: -91.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1190.923898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.923898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.923898 (E_RNA) where: Base-Base interactions energy: -694.350 where: short stacking energy: -371.085 Base-Backbone interact. energy: 4.338 local terms energy: -500.912585 where: bonds (distance) C4'-P energy: -139.904 bonds (distance) P-C4' energy: -126.938 flat angles C4'-P-C4' energy: -124.439 flat angles P-C4'-P energy: -83.986 tors. eta vs tors. theta energy: -25.645 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: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3266.753150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.753150 (E_RNA) where: Base-Base interactions energy: -2292.146 where: short stacking energy: -947.817 Base-Backbone interact. energy: -0.040 local terms energy: -974.566491 where: bonds (distance) C4'-P energy: -185.753 bonds (distance) P-C4' energy: -195.553 flat angles C4'-P-C4' energy: -214.689 flat angles P-C4'-P energy: -129.447 tors. eta vs tors. theta energy: -249.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -3178.702858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.702858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.702858 (E_RNA) where: Base-Base interactions energy: -2254.101 where: short stacking energy: -898.165 Base-Backbone interact. energy: -1.497 local terms energy: -923.105211 where: bonds (distance) C4'-P energy: -178.719 bonds (distance) P-C4' energy: -178.878 flat angles C4'-P-C4' energy: -209.418 flat angles P-C4'-P energy: -125.364 tors. eta vs tors. theta energy: -230.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -3094.854433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.854433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.854433 (E_RNA) where: Base-Base interactions energy: -2204.294 where: short stacking energy: -906.863 Base-Backbone interact. energy: 1.295 local terms energy: -891.855208 where: bonds (distance) C4'-P energy: -160.340 bonds (distance) P-C4' energy: -164.906 flat angles C4'-P-C4' energy: -198.280 flat angles P-C4'-P energy: -136.499 tors. eta vs tors. theta energy: -231.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -3030.557974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.557974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.557974 (E_RNA) where: Base-Base interactions energy: -2166.544 where: short stacking energy: -893.223 Base-Backbone interact. energy: 6.471 local terms energy: -870.484666 where: bonds (distance) C4'-P energy: -152.114 bonds (distance) P-C4' energy: -165.042 flat angles C4'-P-C4' energy: -198.758 flat angles P-C4'-P energy: -121.162 tors. eta vs tors. theta energy: -233.409 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: 1 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2758.172586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.172586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.172586 (E_RNA) where: Base-Base interactions energy: -1905.136 where: short stacking energy: -835.683 Base-Backbone interact. energy: -2.897 local terms energy: -850.139546 where: bonds (distance) C4'-P energy: -137.519 bonds (distance) P-C4' energy: -161.883 flat angles C4'-P-C4' energy: -197.986 flat angles P-C4'-P energy: -123.487 tors. eta vs tors. theta energy: -229.265 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: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2525.923267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.923267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.923267 (E_RNA) where: Base-Base interactions energy: -1738.410 where: short stacking energy: -780.904 Base-Backbone interact. energy: -0.912 local terms energy: -786.601312 where: bonds (distance) C4'-P energy: -151.844 bonds (distance) P-C4' energy: -165.929 flat angles C4'-P-C4' energy: -161.330 flat angles P-C4'-P energy: -123.328 tors. eta vs tors. theta energy: -184.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2304.871993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.871993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.871993 (E_RNA) where: Base-Base interactions energy: -1579.860 where: short stacking energy: -690.951 Base-Backbone interact. energy: -0.976 local terms energy: -724.035747 where: bonds (distance) C4'-P energy: -144.928 bonds (distance) P-C4' energy: -136.935 flat angles C4'-P-C4' energy: -178.020 flat angles P-C4'-P energy: -101.892 tors. eta vs tors. theta energy: -162.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -2069.962376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.962376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.962376 (E_RNA) where: Base-Base interactions energy: -1374.272 where: short stacking energy: -582.977 Base-Backbone interact. energy: 5.941 local terms energy: -701.631060 where: bonds (distance) C4'-P energy: -156.158 bonds (distance) P-C4' energy: -150.172 flat angles C4'-P-C4' energy: -175.177 flat angles P-C4'-P energy: -103.711 tors. eta vs tors. theta energy: -116.413 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: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1869.620998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.620998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.620998 (E_RNA) where: Base-Base interactions energy: -1261.873 where: short stacking energy: -576.640 Base-Backbone interact. energy: -0.330 local terms energy: -607.418523 where: bonds (distance) C4'-P energy: -124.246 bonds (distance) P-C4' energy: -137.789 flat angles C4'-P-C4' energy: -162.489 flat angles P-C4'-P energy: -65.436 tors. eta vs tors. theta energy: -117.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1274.272499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.272499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.272499 (E_RNA) where: Base-Base interactions energy: -731.090 where: short stacking energy: -398.639 Base-Backbone interact. energy: 2.242 local terms energy: -545.424299 where: bonds (distance) C4'-P energy: -138.098 bonds (distance) P-C4' energy: -142.008 flat angles C4'-P-C4' energy: -129.415 flat angles P-C4'-P energy: -84.145 tors. eta vs tors. theta energy: -51.758 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: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3294.851340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.851340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.851340 (E_RNA) where: Base-Base interactions energy: -2286.453 where: short stacking energy: -972.610 Base-Backbone interact. energy: -0.809 local terms energy: -1007.589738 where: bonds (distance) C4'-P energy: -180.349 bonds (distance) P-C4' energy: -207.293 flat angles C4'-P-C4' energy: -206.205 flat angles P-C4'-P energy: -142.776 tors. eta vs tors. theta energy: -270.966 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -3188.594441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.594441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.594441 (E_RNA) where: Base-Base interactions energy: -2288.600 where: short stacking energy: -962.701 Base-Backbone interact. energy: -1.925 local terms energy: -898.069326 where: bonds (distance) C4'-P energy: -159.453 bonds (distance) P-C4' energy: -176.216 flat angles C4'-P-C4' energy: -196.253 flat angles P-C4'-P energy: -124.830 tors. eta vs tors. theta energy: -241.317 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: 180 Temperature: 1.000000 Total energy: -3078.429729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.429729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.429729 (E_RNA) where: Base-Base interactions energy: -2155.980 where: short stacking energy: -933.225 Base-Backbone interact. energy: -1.299 local terms energy: -921.150217 where: bonds (distance) C4'-P energy: -158.111 bonds (distance) P-C4' energy: -192.241 flat angles C4'-P-C4' energy: -194.560 flat angles P-C4'-P energy: -134.029 tors. eta vs tors. theta energy: -242.209 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: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2990.359182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.359182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.359182 (E_RNA) where: Base-Base interactions energy: -2100.280 where: short stacking energy: -856.037 Base-Backbone interact. energy: -2.713 local terms energy: -887.366058 where: bonds (distance) C4'-P energy: -157.222 bonds (distance) P-C4' energy: -172.386 flat angles C4'-P-C4' energy: -196.680 flat angles P-C4'-P energy: -126.949 tors. eta vs tors. theta energy: -234.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2811.386780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.386780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.386780 (E_RNA) where: Base-Base interactions energy: -1967.798 where: short stacking energy: -827.918 Base-Backbone interact. energy: -2.763 local terms energy: -840.825174 where: bonds (distance) C4'-P energy: -160.362 bonds (distance) P-C4' energy: -164.241 flat angles C4'-P-C4' energy: -184.451 flat angles P-C4'-P energy: -112.055 tors. eta vs tors. theta energy: -219.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2502.167090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.167090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.167090 (E_RNA) where: Base-Base interactions energy: -1726.076 where: short stacking energy: -735.845 Base-Backbone interact. energy: -0.255 local terms energy: -775.835840 where: bonds (distance) C4'-P energy: -168.816 bonds (distance) P-C4' energy: -170.991 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -97.287 tors. eta vs tors. theta energy: -179.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2296.490149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.490149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.490149 (E_RNA) where: Base-Base interactions energy: -1601.153 where: short stacking energy: -673.391 Base-Backbone interact. energy: -1.010 local terms energy: -694.327415 where: bonds (distance) C4'-P energy: -126.521 bonds (distance) P-C4' energy: -145.301 flat angles C4'-P-C4' energy: -167.768 flat angles P-C4'-P energy: -113.890 tors. eta vs tors. theta energy: -140.846 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: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -2101.629040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.629040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.629040 (E_RNA) where: Base-Base interactions energy: -1451.473 where: short stacking energy: -626.488 Base-Backbone interact. energy: 0.464 local terms energy: -650.619325 where: bonds (distance) C4'-P energy: -128.790 bonds (distance) P-C4' energy: -153.870 flat angles C4'-P-C4' energy: -158.511 flat angles P-C4'-P energy: -85.647 tors. eta vs tors. theta energy: -123.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1866.843859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.843859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.843859 (E_RNA) where: Base-Base interactions energy: -1229.432 where: short stacking energy: -544.527 Base-Backbone interact. energy: -0.980 local terms energy: -636.431913 where: bonds (distance) C4'-P energy: -129.664 bonds (distance) P-C4' energy: -145.359 flat angles C4'-P-C4' energy: -154.967 flat angles P-C4'-P energy: -97.505 tors. eta vs tors. theta energy: -108.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1281.606337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.606337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.606337 (E_RNA) where: Base-Base interactions energy: -766.753 where: short stacking energy: -413.246 Base-Backbone interact. energy: 9.478 local terms energy: -524.331902 where: bonds (distance) C4'-P energy: -127.526 bonds (distance) P-C4' energy: -137.220 flat angles C4'-P-C4' energy: -138.389 flat angles P-C4'-P energy: -85.749 tors. eta vs tors. theta energy: -35.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3313.203079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.203079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.203079 (E_RNA) where: Base-Base interactions energy: -2315.019 where: short stacking energy: -959.230 Base-Backbone interact. energy: -3.776 local terms energy: -994.407850 where: bonds (distance) C4'-P energy: -171.781 bonds (distance) P-C4' energy: -190.620 flat angles C4'-P-C4' energy: -224.257 flat angles P-C4'-P energy: -139.996 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: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -3248.730120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.730120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.730120 (E_RNA) where: Base-Base interactions energy: -2301.968 where: short stacking energy: -936.742 Base-Backbone interact. energy: -3.659 local terms energy: -943.102497 where: bonds (distance) C4'-P energy: -172.078 bonds (distance) P-C4' energy: -186.162 flat angles C4'-P-C4' energy: -204.701 flat angles P-C4'-P energy: -128.892 tors. eta vs tors. theta energy: -251.269 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: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -3095.655491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.655491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.655491 (E_RNA) where: Base-Base interactions energy: -2171.592 where: short stacking energy: -904.362 Base-Backbone interact. energy: 0.576 local terms energy: -924.639672 where: bonds (distance) C4'-P energy: -183.875 bonds (distance) P-C4' energy: -173.895 flat angles C4'-P-C4' energy: -192.287 flat angles P-C4'-P energy: -139.091 tors. eta vs tors. theta energy: -235.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -3006.400764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.400764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.400764 (E_RNA) where: Base-Base interactions energy: -2146.367 where: short stacking energy: -887.283 Base-Backbone interact. energy: -4.795 local terms energy: -855.238875 where: bonds (distance) C4'-P energy: -152.746 bonds (distance) P-C4' energy: -164.983 flat angles C4'-P-C4' energy: -191.419 flat angles P-C4'-P energy: -120.310 tors. eta vs tors. theta energy: -225.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2771.920858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.920858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.920858 (E_RNA) where: Base-Base interactions energy: -1918.718 where: short stacking energy: -841.213 Base-Backbone interact. energy: -2.489 local terms energy: -850.713358 where: bonds (distance) C4'-P energy: -160.894 bonds (distance) P-C4' energy: -166.908 flat angles C4'-P-C4' energy: -191.730 flat angles P-C4'-P energy: -127.848 tors. eta vs tors. theta energy: -203.334 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: 181 Temperature: 1.150000 Total energy: -2534.396714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.396714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.396714 (E_RNA) where: Base-Base interactions energy: -1727.352 where: short stacking energy: -775.076 Base-Backbone interact. energy: -3.237 local terms energy: -803.807324 where: bonds (distance) C4'-P energy: -162.778 bonds (distance) P-C4' energy: -158.389 flat angles C4'-P-C4' energy: -176.387 flat angles P-C4'-P energy: -111.306 tors. eta vs tors. theta energy: -194.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2267.830053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.830053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.830053 (E_RNA) where: Base-Base interactions energy: -1570.142 where: short stacking energy: -695.421 Base-Backbone interact. energy: 4.409 local terms energy: -702.097189 where: bonds (distance) C4'-P energy: -148.531 bonds (distance) P-C4' energy: -158.287 flat angles C4'-P-C4' energy: -178.634 flat angles P-C4'-P energy: -83.863 tors. eta vs tors. theta energy: -132.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -2087.496879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.496879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.496879 (E_RNA) where: Base-Base interactions energy: -1391.356 where: short stacking energy: -583.417 Base-Backbone interact. energy: -0.520 local terms energy: -695.620846 where: bonds (distance) C4'-P energy: -153.115 bonds (distance) P-C4' energy: -152.218 flat angles C4'-P-C4' energy: -172.006 flat angles P-C4'-P energy: -105.977 tors. eta vs tors. theta energy: -112.304 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: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1913.535241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.535241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.535241 (E_RNA) where: Base-Base interactions energy: -1261.759 where: short stacking energy: -582.319 Base-Backbone interact. energy: -2.769 local terms energy: -649.006824 where: bonds (distance) C4'-P energy: -134.957 bonds (distance) P-C4' energy: -151.945 flat angles C4'-P-C4' energy: -146.521 flat angles P-C4'-P energy: -83.690 tors. eta vs tors. theta energy: -131.894 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: 10, replica: 9 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1327.704793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.704793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.704793 (E_RNA) where: Base-Base interactions energy: -797.079 where: short stacking energy: -373.998 Base-Backbone interact. energy: 2.549 local terms energy: -533.174732 where: bonds (distance) C4'-P energy: -134.363 bonds (distance) P-C4' energy: -156.519 flat angles C4'-P-C4' energy: -107.584 flat angles P-C4'-P energy: -97.916 tors. eta vs tors. theta energy: -36.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3245.835436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3245.835436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3245.835436 (E_RNA) where: Base-Base interactions energy: -2263.621 where: short stacking energy: -958.914 Base-Backbone interact. energy: -1.942 local terms energy: -980.272510 where: bonds (distance) C4'-P energy: -190.426 bonds (distance) P-C4' energy: -184.584 flat angles C4'-P-C4' energy: -215.226 flat angles P-C4'-P energy: -137.659 tors. eta vs tors. theta energy: -252.377 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: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -3204.729965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.729965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.729965 (E_RNA) where: Base-Base interactions energy: -2285.121 where: short stacking energy: -926.861 Base-Backbone interact. energy: -4.961 local terms energy: -914.647984 where: bonds (distance) C4'-P energy: -169.035 bonds (distance) P-C4' energy: -177.110 flat angles C4'-P-C4' energy: -194.113 flat angles P-C4'-P energy: -131.015 tors. eta vs tors. theta energy: -243.375 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: 182 Temperature: 1.000000 Total energy: -3053.534740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.534740 (E_RNA) where: Base-Base interactions energy: -2157.801 where: short stacking energy: -907.305 Base-Backbone interact. energy: -2.428 local terms energy: -893.305933 where: bonds (distance) C4'-P energy: -170.879 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -197.598 flat angles P-C4'-P energy: -132.516 tors. eta vs tors. theta energy: -233.882 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: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2984.504328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.504328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.504328 (E_RNA) where: Base-Base interactions energy: -2099.194 where: short stacking energy: -859.103 Base-Backbone interact. energy: -4.108 local terms energy: -881.202428 where: bonds (distance) C4'-P energy: -149.363 bonds (distance) P-C4' energy: -178.634 flat angles C4'-P-C4' energy: -203.898 flat angles P-C4'-P energy: -133.101 tors. eta vs tors. theta energy: -216.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2790.292927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.292927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.292927 (E_RNA) where: Base-Base interactions energy: -1936.570 where: short stacking energy: -846.893 Base-Backbone interact. energy: -4.553 local terms energy: -849.169905 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -150.523 flat angles C4'-P-C4' energy: -195.047 flat angles P-C4'-P energy: -121.708 tors. eta vs tors. theta energy: -225.398 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: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2611.147231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.147231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.147231 (E_RNA) where: Base-Base interactions energy: -1763.882 where: short stacking energy: -770.769 Base-Backbone interact. energy: -2.410 local terms energy: -844.854779 where: bonds (distance) C4'-P energy: -163.728 bonds (distance) P-C4' energy: -180.166 flat angles C4'-P-C4' energy: -170.978 flat angles P-C4'-P energy: -111.776 tors. eta vs tors. theta energy: -218.206 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: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2334.221352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.221352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.221352 (E_RNA) where: Base-Base interactions energy: -1602.436 where: short stacking energy: -674.846 Base-Backbone interact. energy: -3.849 local terms energy: -727.936344 where: bonds (distance) C4'-P energy: -158.014 bonds (distance) P-C4' energy: -151.518 flat angles C4'-P-C4' energy: -173.460 flat angles P-C4'-P energy: -91.284 tors. eta vs tors. theta energy: -153.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -2100.811950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.811950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.811950 (E_RNA) where: Base-Base interactions energy: -1435.769 where: short stacking energy: -642.500 Base-Backbone interact. energy: -5.366 local terms energy: -659.676649 where: bonds (distance) C4'-P energy: -133.824 bonds (distance) P-C4' energy: -144.736 flat angles C4'-P-C4' energy: -161.765 flat angles P-C4'-P energy: -94.528 tors. eta vs tors. theta energy: -124.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1967.708830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.708830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.708830 (E_RNA) where: Base-Base interactions energy: -1309.600 where: short stacking energy: -571.426 Base-Backbone interact. energy: -1.243 local terms energy: -656.866051 where: bonds (distance) C4'-P energy: -141.676 bonds (distance) P-C4' energy: -149.693 flat angles C4'-P-C4' energy: -170.763 flat angles P-C4'-P energy: -80.448 tors. eta vs tors. theta energy: -114.286 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: 9 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1396.871549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.871549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.871549 (E_RNA) where: Base-Base interactions energy: -824.242 where: short stacking energy: -397.292 Base-Backbone interact. energy: 2.173 local terms energy: -574.802298 where: bonds (distance) C4'-P energy: -140.909 bonds (distance) P-C4' energy: -166.674 flat angles C4'-P-C4' energy: -143.922 flat angles P-C4'-P energy: -80.885 tors. eta vs tors. theta energy: -42.412 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: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3263.383321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.383321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.383321 (E_RNA) where: Base-Base interactions energy: -2300.308 where: short stacking energy: -943.815 Base-Backbone interact. energy: -6.235 local terms energy: -956.840562 where: bonds (distance) C4'-P energy: -174.738 bonds (distance) P-C4' energy: -170.357 flat angles C4'-P-C4' energy: -199.231 flat angles P-C4'-P energy: -148.818 tors. eta vs tors. theta energy: -263.695 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: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -3189.813122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.813122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.813122 (E_RNA) where: Base-Base interactions energy: -2278.967 where: short stacking energy: -939.716 Base-Backbone interact. energy: -3.509 local terms energy: -907.337253 where: bonds (distance) C4'-P energy: -167.680 bonds (distance) P-C4' energy: -182.332 flat angles C4'-P-C4' energy: -190.188 flat angles P-C4'-P energy: -125.283 tors. eta vs tors. theta energy: -241.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -3108.062257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.062257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.062257 (E_RNA) where: Base-Base interactions energy: -2194.714 where: short stacking energy: -918.103 Base-Backbone interact. energy: -1.193 local terms energy: -912.155346 where: bonds (distance) C4'-P energy: -186.848 bonds (distance) P-C4' energy: -172.210 flat angles C4'-P-C4' energy: -199.951 flat angles P-C4'-P energy: -120.356 tors. eta vs tors. theta energy: -232.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2940.654006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.654006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.654006 (E_RNA) where: Base-Base interactions energy: -2057.346 where: short stacking energy: -826.732 Base-Backbone interact. energy: -0.770 local terms energy: -882.537363 where: bonds (distance) C4'-P energy: -169.154 bonds (distance) P-C4' energy: -158.830 flat angles C4'-P-C4' energy: -202.026 flat angles P-C4'-P energy: -123.578 tors. eta vs tors. theta energy: -228.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2885.719301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.719301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.719301 (E_RNA) where: Base-Base interactions energy: -2007.223 where: short stacking energy: -821.722 Base-Backbone interact. energy: -3.898 local terms energy: -874.598898 where: bonds (distance) C4'-P energy: -171.650 bonds (distance) P-C4' energy: -178.260 flat angles C4'-P-C4' energy: -186.224 flat angles P-C4'-P energy: -121.955 tors. eta vs tors. theta energy: -216.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2625.691747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.691747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.691747 (E_RNA) where: Base-Base interactions energy: -1825.706 where: short stacking energy: -813.683 Base-Backbone interact. energy: 0.013 local terms energy: -799.998708 where: bonds (distance) C4'-P energy: -135.620 bonds (distance) P-C4' energy: -155.005 flat angles C4'-P-C4' energy: -186.983 flat angles P-C4'-P energy: -119.969 tors. eta vs tors. theta energy: -202.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -2272.053739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.053739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.053739 (E_RNA) where: Base-Base interactions energy: -1554.098 where: short stacking energy: -681.588 Base-Backbone interact. energy: -4.472 local terms energy: -713.483887 where: bonds (distance) C4'-P energy: -128.542 bonds (distance) P-C4' energy: -157.375 flat angles C4'-P-C4' energy: -168.311 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -165.636 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: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -2065.937179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.937179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.937179 (E_RNA) where: Base-Base interactions energy: -1348.228 where: short stacking energy: -607.441 Base-Backbone interact. energy: -0.494 local terms energy: -717.214804 where: bonds (distance) C4'-P energy: -167.823 bonds (distance) P-C4' energy: -170.849 flat angles C4'-P-C4' energy: -152.653 flat angles P-C4'-P energy: -100.936 tors. eta vs tors. theta energy: -124.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1980.337187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.337187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.337187 (E_RNA) where: Base-Base interactions energy: -1353.112 where: short stacking energy: -577.520 Base-Backbone interact. energy: 3.538 local terms energy: -630.762800 where: bonds (distance) C4'-P energy: -133.869 bonds (distance) P-C4' energy: -146.927 flat angles C4'-P-C4' energy: -150.736 flat angles P-C4'-P energy: -88.256 tors. eta vs tors. theta energy: -110.975 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: 9 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1326.694140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.694140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.694140 (E_RNA) where: Base-Base interactions energy: -794.535 where: short stacking energy: -386.019 Base-Backbone interact. energy: -1.916 local terms energy: -530.243961 where: bonds (distance) C4'-P energy: -164.305 bonds (distance) P-C4' energy: -147.159 flat angles C4'-P-C4' energy: -132.835 flat angles P-C4'-P energy: -62.869 tors. eta vs tors. theta energy: -23.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3265.985521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.985521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.985521 (E_RNA) where: Base-Base interactions energy: -2325.598 where: short stacking energy: -978.823 Base-Backbone interact. energy: -2.681 local terms energy: -937.706460 where: bonds (distance) C4'-P energy: -169.708 bonds (distance) P-C4' energy: -171.034 flat angles C4'-P-C4' energy: -208.748 flat angles P-C4'-P energy: -126.966 tors. eta vs tors. theta energy: -261.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -3207.425849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.425849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.425849 (E_RNA) where: Base-Base interactions energy: -2289.844 where: short stacking energy: -940.741 Base-Backbone interact. energy: -2.969 local terms energy: -914.612854 where: bonds (distance) C4'-P energy: -175.687 bonds (distance) P-C4' energy: -171.691 flat angles C4'-P-C4' energy: -195.287 flat angles P-C4'-P energy: -131.995 tors. eta vs tors. theta energy: -239.953 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: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -3122.073627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.073627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.073627 (E_RNA) where: Base-Base interactions energy: -2194.363 where: short stacking energy: -933.652 Base-Backbone interact. energy: 3.962 local terms energy: -931.672602 where: bonds (distance) C4'-P energy: -191.367 bonds (distance) P-C4' energy: -155.740 flat angles C4'-P-C4' energy: -200.347 flat angles P-C4'-P energy: -139.148 tors. eta vs tors. theta energy: -245.070 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: 6 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2965.496701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.496701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.496701 (E_RNA) where: Base-Base interactions energy: -2085.460 where: short stacking energy: -865.181 Base-Backbone interact. energy: -3.253 local terms energy: -876.784442 where: bonds (distance) C4'-P energy: -161.572 bonds (distance) P-C4' energy: -186.452 flat angles C4'-P-C4' energy: -196.699 flat angles P-C4'-P energy: -119.854 tors. eta vs tors. theta energy: -212.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2830.159838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.159838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.159838 (E_RNA) where: Base-Base interactions energy: -1968.706 where: short stacking energy: -833.165 Base-Backbone interact. energy: -2.879 local terms energy: -858.575548 where: bonds (distance) C4'-P energy: -157.435 bonds (distance) P-C4' energy: -179.256 flat angles C4'-P-C4' energy: -171.417 flat angles P-C4'-P energy: -126.543 tors. eta vs tors. theta energy: -223.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2598.838039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.838039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.838039 (E_RNA) where: Base-Base interactions energy: -1769.781 where: short stacking energy: -776.752 Base-Backbone interact. energy: -1.118 local terms energy: -827.939038 where: bonds (distance) C4'-P energy: -172.396 bonds (distance) P-C4' energy: -166.968 flat angles C4'-P-C4' energy: -187.511 flat angles P-C4'-P energy: -107.770 tors. eta vs tors. theta energy: -193.295 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: 7, replica: 7 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2282.754525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.754525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.754525 (E_RNA) where: Base-Base interactions energy: -1559.727 where: short stacking energy: -644.891 Base-Backbone interact. energy: -4.116 local terms energy: -718.910585 where: bonds (distance) C4'-P energy: -155.503 bonds (distance) P-C4' energy: -158.640 flat angles C4'-P-C4' energy: -159.791 flat angles P-C4'-P energy: -98.309 tors. eta vs tors. theta energy: -146.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -2082.849650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.849650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.849650 (E_RNA) where: Base-Base interactions energy: -1403.755 where: short stacking energy: -624.791 Base-Backbone interact. energy: -1.981 local terms energy: -677.113677 where: bonds (distance) C4'-P energy: -143.977 bonds (distance) P-C4' energy: -113.939 flat angles C4'-P-C4' energy: -170.871 flat angles P-C4'-P energy: -95.212 tors. eta vs tors. theta energy: -153.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1898.793690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.793690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.793690 (E_RNA) where: Base-Base interactions energy: -1280.667 where: short stacking energy: -576.541 Base-Backbone interact. energy: 4.462 local terms energy: -622.588549 where: bonds (distance) C4'-P energy: -133.241 bonds (distance) P-C4' energy: -156.062 flat angles C4'-P-C4' energy: -154.745 flat angles P-C4'-P energy: -71.035 tors. eta vs tors. theta energy: -107.505 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: 10, replica: 9 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1504.103626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.103626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.103626 (E_RNA) where: Base-Base interactions energy: -941.198 where: short stacking energy: -465.236 Base-Backbone interact. energy: 1.175 local terms energy: -564.081048 where: bonds (distance) C4'-P energy: -126.087 bonds (distance) P-C4' energy: -162.407 flat angles C4'-P-C4' energy: -157.585 flat angles P-C4'-P energy: -77.035 tors. eta vs tors. theta energy: -40.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3277.882033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.882033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.882033 (E_RNA) where: Base-Base interactions energy: -2345.284 where: short stacking energy: -968.583 Base-Backbone interact. energy: -5.392 local terms energy: -927.205707 where: bonds (distance) C4'-P energy: -183.184 bonds (distance) P-C4' energy: -182.583 flat angles C4'-P-C4' energy: -197.989 flat angles P-C4'-P energy: -107.267 tors. eta vs tors. theta energy: -256.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -3158.631729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.631729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.631729 (E_RNA) where: Base-Base interactions energy: -2264.848 where: short stacking energy: -933.016 Base-Backbone interact. energy: 1.449 local terms energy: -895.233149 where: bonds (distance) C4'-P energy: -171.256 bonds (distance) P-C4' energy: -169.772 flat angles C4'-P-C4' energy: -196.684 flat angles P-C4'-P energy: -128.597 tors. eta vs tors. theta energy: -228.925 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: 185 Temperature: 1.000000 Total energy: -3074.156177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.156177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.156177 (E_RNA) where: Base-Base interactions energy: -2180.137 where: short stacking energy: -896.453 Base-Backbone interact. energy: -4.095 local terms energy: -889.924294 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -154.078 flat angles C4'-P-C4' energy: -195.805 flat angles P-C4'-P energy: -142.142 tors. eta vs tors. theta energy: -233.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2992.710884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.710884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.710884 (E_RNA) where: Base-Base interactions energy: -2119.359 where: short stacking energy: -883.792 Base-Backbone interact. energy: -0.406 local terms energy: -872.945205 where: bonds (distance) C4'-P energy: -149.001 bonds (distance) P-C4' energy: -166.052 flat angles C4'-P-C4' energy: -196.604 flat angles P-C4'-P energy: -129.831 tors. eta vs tors. theta energy: -231.457 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: 1 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2793.511558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.511558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.511558 (E_RNA) where: Base-Base interactions energy: -1956.047 where: short stacking energy: -794.915 Base-Backbone interact. energy: -5.261 local terms energy: -832.203138 where: bonds (distance) C4'-P energy: -166.699 bonds (distance) P-C4' energy: -171.215 flat angles C4'-P-C4' energy: -182.488 flat angles P-C4'-P energy: -114.798 tors. eta vs tors. theta energy: -197.004 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: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2632.941734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.941734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.941734 (E_RNA) where: Base-Base interactions energy: -1773.733 where: short stacking energy: -766.518 Base-Backbone interact. energy: -0.998 local terms energy: -858.210833 where: bonds (distance) C4'-P energy: -165.553 bonds (distance) P-C4' energy: -174.946 flat angles C4'-P-C4' energy: -175.887 flat angles P-C4'-P energy: -125.167 tors. eta vs tors. theta energy: -216.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -2292.506872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.506872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.506872 (E_RNA) where: Base-Base interactions energy: -1564.327 where: short stacking energy: -651.575 Base-Backbone interact. energy: -3.181 local terms energy: -724.998479 where: bonds (distance) C4'-P energy: -154.711 bonds (distance) P-C4' energy: -151.103 flat angles C4'-P-C4' energy: -166.596 flat angles P-C4'-P energy: -112.273 tors. eta vs tors. theta energy: -140.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -2040.744862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.744862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.744862 (E_RNA) where: Base-Base interactions energy: -1345.078 where: short stacking energy: -610.930 Base-Backbone interact. energy: 5.073 local terms energy: -700.740630 where: bonds (distance) C4'-P energy: -156.070 bonds (distance) P-C4' energy: -157.503 flat angles C4'-P-C4' energy: -168.086 flat angles P-C4'-P energy: -103.615 tors. eta vs tors. theta energy: -115.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1881.349452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.349452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.349452 (E_RNA) where: Base-Base interactions energy: -1266.650 where: short stacking energy: -546.305 Base-Backbone interact. energy: 6.278 local terms energy: -620.977979 where: bonds (distance) C4'-P energy: -141.117 bonds (distance) P-C4' energy: -141.428 flat angles C4'-P-C4' energy: -145.706 flat angles P-C4'-P energy: -98.729 tors. eta vs tors. theta energy: -93.998 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: 9 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1447.085949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.085949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.085949 (E_RNA) where: Base-Base interactions energy: -867.128 where: short stacking energy: -415.541 Base-Backbone interact. energy: 0.101 local terms energy: -580.058811 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -146.240 flat angles P-C4'-P energy: -81.249 tors. eta vs tors. theta energy: -32.190 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: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3256.110050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.110050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.110050 (E_RNA) where: Base-Base interactions energy: -2308.884 where: short stacking energy: -959.671 Base-Backbone interact. energy: 5.173 local terms energy: -952.398778 where: bonds (distance) C4'-P energy: -172.749 bonds (distance) P-C4' energy: -180.691 flat angles C4'-P-C4' energy: -203.608 flat angles P-C4'-P energy: -141.387 tors. eta vs tors. theta energy: -253.964 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: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -3222.751681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.751681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.751681 (E_RNA) where: Base-Base interactions energy: -2253.270 where: short stacking energy: -952.902 Base-Backbone interact. energy: -3.706 local terms energy: -965.774752 where: bonds (distance) C4'-P energy: -171.190 bonds (distance) P-C4' energy: -183.099 flat angles C4'-P-C4' energy: -212.941 flat angles P-C4'-P energy: -136.358 tors. eta vs tors. theta energy: -262.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -3099.464257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.464257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.464257 (E_RNA) where: Base-Base interactions energy: -2191.533 where: short stacking energy: -892.136 Base-Backbone interact. energy: -2.285 local terms energy: -905.646557 where: bonds (distance) C4'-P energy: -176.306 bonds (distance) P-C4' energy: -171.534 flat angles C4'-P-C4' energy: -197.805 flat angles P-C4'-P energy: -143.225 tors. eta vs tors. theta energy: -216.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -3012.650320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.650320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.650320 (E_RNA) where: Base-Base interactions energy: -2130.406 where: short stacking energy: -852.508 Base-Backbone interact. energy: -3.827 local terms energy: -878.417095 where: bonds (distance) C4'-P energy: -168.072 bonds (distance) P-C4' energy: -151.974 flat angles C4'-P-C4' energy: -202.320 flat angles P-C4'-P energy: -131.686 tors. eta vs tors. theta energy: -224.365 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: 1 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2781.819553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.819553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.819553 (E_RNA) where: Base-Base interactions energy: -1948.289 where: short stacking energy: -824.085 Base-Backbone interact. energy: 1.653 local terms energy: -835.183283 where: bonds (distance) C4'-P energy: -153.878 bonds (distance) P-C4' energy: -185.521 flat angles C4'-P-C4' energy: -175.429 flat angles P-C4'-P energy: -101.502 tors. eta vs tors. theta energy: -218.853 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: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2689.376690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.376690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.376690 (E_RNA) where: Base-Base interactions energy: -1874.313 where: short stacking energy: -812.119 Base-Backbone interact. energy: 0.374 local terms energy: -815.437657 where: bonds (distance) C4'-P energy: -167.452 bonds (distance) P-C4' energy: -156.578 flat angles C4'-P-C4' energy: -177.235 flat angles P-C4'-P energy: -105.134 tors. eta vs tors. theta energy: -209.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2307.172540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.172540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.172540 (E_RNA) where: Base-Base interactions energy: -1565.642 where: short stacking energy: -689.867 Base-Backbone interact. energy: -5.350 local terms energy: -736.180255 where: bonds (distance) C4'-P energy: -134.574 bonds (distance) P-C4' energy: -168.107 flat angles C4'-P-C4' energy: -157.377 flat angles P-C4'-P energy: -121.270 tors. eta vs tors. theta energy: -154.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -2097.776824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.776824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.776824 (E_RNA) where: Base-Base interactions energy: -1389.599 where: short stacking energy: -615.594 Base-Backbone interact. energy: 0.712 local terms energy: -708.890460 where: bonds (distance) C4'-P energy: -148.455 bonds (distance) P-C4' energy: -152.206 flat angles C4'-P-C4' energy: -182.986 flat angles P-C4'-P energy: -86.243 tors. eta vs tors. theta energy: -139.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1932.497842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.497842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.497842 (E_RNA) where: Base-Base interactions energy: -1268.665 where: short stacking energy: -561.427 Base-Backbone interact. energy: -2.952 local terms energy: -660.881086 where: bonds (distance) C4'-P energy: -137.628 bonds (distance) P-C4' energy: -144.344 flat angles C4'-P-C4' energy: -165.168 flat angles P-C4'-P energy: -101.195 tors. eta vs tors. theta energy: -112.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1447.451157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.451157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.451157 (E_RNA) where: Base-Base interactions energy: -890.900 where: short stacking energy: -459.631 Base-Backbone interact. energy: -0.582 local terms energy: -555.969161 where: bonds (distance) C4'-P energy: -134.485 bonds (distance) P-C4' energy: -147.453 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -79.289 tors. eta vs tors. theta energy: -67.764 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: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3332.256818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.256818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.256818 (E_RNA) where: Base-Base interactions energy: -2365.829 where: short stacking energy: -979.102 Base-Backbone interact. energy: -0.564 local terms energy: -965.863785 where: bonds (distance) C4'-P energy: -168.353 bonds (distance) P-C4' energy: -177.301 flat angles C4'-P-C4' energy: -219.515 flat angles P-C4'-P energy: -154.285 tors. eta vs tors. theta energy: -246.411 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: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -3228.436539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.436539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.436539 (E_RNA) where: Base-Base interactions energy: -2271.836 where: short stacking energy: -924.014 Base-Backbone interact. energy: -4.598 local terms energy: -952.002749 where: bonds (distance) C4'-P energy: -168.348 bonds (distance) P-C4' energy: -180.506 flat angles C4'-P-C4' energy: -211.512 flat angles P-C4'-P energy: -139.579 tors. eta vs tors. theta energy: -252.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -3077.422956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.422956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.422956 (E_RNA) where: Base-Base interactions energy: -2172.595 where: short stacking energy: -911.953 Base-Backbone interact. energy: -3.471 local terms energy: -901.356099 where: bonds (distance) C4'-P energy: -169.773 bonds (distance) P-C4' energy: -171.265 flat angles C4'-P-C4' energy: -204.968 flat angles P-C4'-P energy: -129.349 tors. eta vs tors. theta energy: -226.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2968.777796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.777796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.777796 (E_RNA) where: Base-Base interactions energy: -2103.212 where: short stacking energy: -862.251 Base-Backbone interact. energy: -7.227 local terms energy: -858.338826 where: bonds (distance) C4'-P energy: -147.990 bonds (distance) P-C4' energy: -177.071 flat angles C4'-P-C4' energy: -194.014 flat angles P-C4'-P energy: -113.234 tors. eta vs tors. theta energy: -226.030 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: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2744.286501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.286501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.286501 (E_RNA) where: Base-Base interactions energy: -1876.081 where: short stacking energy: -802.451 Base-Backbone interact. energy: -3.364 local terms energy: -864.842001 where: bonds (distance) C4'-P energy: -163.639 bonds (distance) P-C4' energy: -184.277 flat angles C4'-P-C4' energy: -173.163 flat angles P-C4'-P energy: -128.877 tors. eta vs tors. theta energy: -214.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2718.707893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.707893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.707893 (E_RNA) where: Base-Base interactions energy: -1887.258 where: short stacking energy: -840.599 Base-Backbone interact. energy: -0.792 local terms energy: -830.658656 where: bonds (distance) C4'-P energy: -148.031 bonds (distance) P-C4' energy: -162.753 flat angles C4'-P-C4' energy: -184.820 flat angles P-C4'-P energy: -117.360 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: 7, replica: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2343.521580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.521580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.521580 (E_RNA) where: Base-Base interactions energy: -1598.576 where: short stacking energy: -687.597 Base-Backbone interact. energy: -4.074 local terms energy: -740.872249 where: bonds (distance) C4'-P energy: -125.268 bonds (distance) P-C4' energy: -166.979 flat angles C4'-P-C4' energy: -169.328 flat angles P-C4'-P energy: -123.147 tors. eta vs tors. theta energy: -156.150 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: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -2124.713385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.713385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.713385 (E_RNA) where: Base-Base interactions energy: -1402.752 where: short stacking energy: -637.340 Base-Backbone interact. energy: 1.207 local terms energy: -723.167990 where: bonds (distance) C4'-P energy: -145.899 bonds (distance) P-C4' energy: -165.030 flat angles C4'-P-C4' energy: -164.784 flat angles P-C4'-P energy: -102.414 tors. eta vs tors. theta energy: -145.040 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: 10 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1929.429659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.429659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.429659 (E_RNA) where: Base-Base interactions energy: -1331.655 where: short stacking energy: -597.258 Base-Backbone interact. energy: 4.478 local terms energy: -602.252970 where: bonds (distance) C4'-P energy: -132.575 bonds (distance) P-C4' energy: -123.240 flat angles C4'-P-C4' energy: -147.407 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -107.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1509.690928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.690928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.690928 (E_RNA) where: Base-Base interactions energy: -997.723 where: short stacking energy: -464.540 Base-Backbone interact. energy: 7.622 local terms energy: -519.590102 where: bonds (distance) C4'-P energy: -142.463 bonds (distance) P-C4' energy: -130.283 flat angles C4'-P-C4' energy: -121.796 flat angles P-C4'-P energy: -75.280 tors. eta vs tors. theta energy: -49.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3324.740698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.740698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.740698 (E_RNA) where: Base-Base interactions energy: -2339.877 where: short stacking energy: -960.130 Base-Backbone interact. energy: -4.186 local terms energy: -980.677727 where: bonds (distance) C4'-P energy: -194.373 bonds (distance) P-C4' energy: -192.534 flat angles C4'-P-C4' energy: -200.140 flat angles P-C4'-P energy: -141.344 tors. eta vs tors. theta energy: -252.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -3231.941562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.941562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.941562 (E_RNA) where: Base-Base interactions energy: -2255.793 where: short stacking energy: -965.579 Base-Backbone interact. energy: -3.271 local terms energy: -972.877272 where: bonds (distance) C4'-P energy: -185.441 bonds (distance) P-C4' energy: -176.363 flat angles C4'-P-C4' energy: -208.375 flat angles P-C4'-P energy: -143.071 tors. eta vs tors. theta energy: -259.626 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: 188 Temperature: 1.000000 Total energy: -3068.830819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.830819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.830819 (E_RNA) where: Base-Base interactions energy: -2163.686 where: short stacking energy: -905.772 Base-Backbone interact. energy: -2.410 local terms energy: -902.735460 where: bonds (distance) C4'-P energy: -170.374 bonds (distance) P-C4' energy: -166.107 flat angles C4'-P-C4' energy: -208.965 flat angles P-C4'-P energy: -126.978 tors. eta vs tors. theta energy: -230.311 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: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2950.744732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.744732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.744732 (E_RNA) where: Base-Base interactions energy: -2096.132 where: short stacking energy: -845.645 Base-Backbone interact. energy: -3.778 local terms energy: -850.834815 where: bonds (distance) C4'-P energy: -148.677 bonds (distance) P-C4' energy: -157.396 flat angles C4'-P-C4' energy: -190.521 flat angles P-C4'-P energy: -129.382 tors. eta vs tors. theta energy: -224.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2760.355833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.355833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.355833 (E_RNA) where: Base-Base interactions energy: -1939.840 where: short stacking energy: -842.768 Base-Backbone interact. energy: 6.679 local terms energy: -827.194582 where: bonds (distance) C4'-P energy: -165.882 bonds (distance) P-C4' energy: -154.242 flat angles C4'-P-C4' energy: -186.377 flat angles P-C4'-P energy: -99.487 tors. eta vs tors. theta energy: -221.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2724.891634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.891634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.891634 (E_RNA) where: Base-Base interactions energy: -1881.264 where: short stacking energy: -804.645 Base-Backbone interact. energy: -4.196 local terms energy: -839.431128 where: bonds (distance) C4'-P energy: -163.002 bonds (distance) P-C4' energy: -174.454 flat angles C4'-P-C4' energy: -170.738 flat angles P-C4'-P energy: -110.083 tors. eta vs tors. theta energy: -221.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2310.316349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.316349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.316349 (E_RNA) where: Base-Base interactions energy: -1585.900 where: short stacking energy: -703.260 Base-Backbone interact. energy: 0.409 local terms energy: -724.825020 where: bonds (distance) C4'-P energy: -166.844 bonds (distance) P-C4' energy: -148.696 flat angles C4'-P-C4' energy: -150.235 flat angles P-C4'-P energy: -104.504 tors. eta vs tors. theta energy: -154.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -2116.256638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.256638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.256638 (E_RNA) where: Base-Base interactions energy: -1412.846 where: short stacking energy: -635.797 Base-Backbone interact. energy: 0.580 local terms energy: -703.990615 where: bonds (distance) C4'-P energy: -135.475 bonds (distance) P-C4' energy: -160.124 flat angles C4'-P-C4' energy: -161.590 flat angles P-C4'-P energy: -99.820 tors. eta vs tors. theta energy: -146.981 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: 9, replica: 10 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1932.526425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.526425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.526425 (E_RNA) where: Base-Base interactions energy: -1301.700 where: short stacking energy: -567.156 Base-Backbone interact. energy: -4.911 local terms energy: -625.916216 where: bonds (distance) C4'-P energy: -139.114 bonds (distance) P-C4' energy: -147.348 flat angles C4'-P-C4' energy: -162.950 flat angles P-C4'-P energy: -74.948 tors. eta vs tors. theta energy: -101.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1541.657062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.657062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.657062 (E_RNA) where: Base-Base interactions energy: -984.104 where: short stacking energy: -454.622 Base-Backbone interact. energy: 7.964 local terms energy: -565.516349 where: bonds (distance) C4'-P energy: -152.362 bonds (distance) P-C4' energy: -134.305 flat angles C4'-P-C4' energy: -129.614 flat angles P-C4'-P energy: -86.983 tors. eta vs tors. theta energy: -62.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3324.980787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.980787 (E_RNA) where: Base-Base interactions energy: -2368.672 where: short stacking energy: -985.059 Base-Backbone interact. energy: -1.781 local terms energy: -954.527481 where: bonds (distance) C4'-P energy: -182.343 bonds (distance) P-C4' energy: -175.859 flat angles C4'-P-C4' energy: -204.372 flat angles P-C4'-P energy: -135.645 tors. eta vs tors. theta energy: -256.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -3247.130136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.130136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.130136 (E_RNA) where: Base-Base interactions energy: -2297.554 where: short stacking energy: -970.350 Base-Backbone interact. energy: -6.230 local terms energy: -943.345852 where: bonds (distance) C4'-P energy: -168.324 bonds (distance) P-C4' energy: -173.661 flat angles C4'-P-C4' energy: -208.711 flat angles P-C4'-P energy: -140.402 tors. eta vs tors. theta energy: -252.248 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: 5 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -3107.340697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.340697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.340697 (E_RNA) where: Base-Base interactions energy: -2175.365 where: short stacking energy: -902.926 Base-Backbone interact. energy: -2.816 local terms energy: -929.159951 where: bonds (distance) C4'-P energy: -163.700 bonds (distance) P-C4' energy: -176.068 flat angles C4'-P-C4' energy: -211.869 flat angles P-C4'-P energy: -130.706 tors. eta vs tors. theta energy: -246.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2998.457677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.457677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.457677 (E_RNA) where: Base-Base interactions energy: -2088.548 where: short stacking energy: -860.842 Base-Backbone interact. energy: -1.601 local terms energy: -908.308700 where: bonds (distance) C4'-P energy: -180.729 bonds (distance) P-C4' energy: -185.180 flat angles C4'-P-C4' energy: -196.711 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -221.086 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: 1 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2769.075596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.075596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.075596 (E_RNA) where: Base-Base interactions energy: -1886.993 where: short stacking energy: -805.669 Base-Backbone interact. energy: 0.966 local terms energy: -883.048500 where: bonds (distance) C4'-P energy: -174.629 bonds (distance) P-C4' energy: -173.453 flat angles C4'-P-C4' energy: -204.073 flat angles P-C4'-P energy: -118.524 tors. eta vs tors. theta energy: -212.369 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: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2670.911469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.911469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.911469 (E_RNA) where: Base-Base interactions energy: -1849.175 where: short stacking energy: -778.350 Base-Backbone interact. energy: 0.331 local terms energy: -822.067866 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -167.709 flat angles C4'-P-C4' energy: -177.136 flat angles P-C4'-P energy: -110.509 tors. eta vs tors. theta energy: -215.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2316.082868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.082868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.082868 (E_RNA) where: Base-Base interactions energy: -1548.778 where: short stacking energy: -677.861 Base-Backbone interact. energy: -4.892 local terms energy: -762.412540 where: bonds (distance) C4'-P energy: -147.071 bonds (distance) P-C4' energy: -161.032 flat angles C4'-P-C4' energy: -178.005 flat angles P-C4'-P energy: -106.276 tors. eta vs tors. theta energy: -170.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -2154.543116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.543116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.543116 (E_RNA) where: Base-Base interactions energy: -1451.495 where: short stacking energy: -655.536 Base-Backbone interact. energy: 4.743 local terms energy: -707.790702 where: bonds (distance) C4'-P energy: -147.016 bonds (distance) P-C4' energy: -157.346 flat angles C4'-P-C4' energy: -160.968 flat angles P-C4'-P energy: -90.164 tors. eta vs tors. theta energy: -152.297 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: 10 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1953.954973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.954973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.954973 (E_RNA) where: Base-Base interactions energy: -1329.977 where: short stacking energy: -575.670 Base-Backbone interact. energy: -0.726 local terms energy: -623.251795 where: bonds (distance) C4'-P energy: -128.309 bonds (distance) P-C4' energy: -159.861 flat angles C4'-P-C4' energy: -160.667 flat angles P-C4'-P energy: -82.874 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: 10, replica: 9 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1535.097108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.097108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.097108 (E_RNA) where: Base-Base interactions energy: -959.914 where: short stacking energy: -478.828 Base-Backbone interact. energy: -2.302 local terms energy: -572.881680 where: bonds (distance) C4'-P energy: -126.751 bonds (distance) P-C4' energy: -145.011 flat angles C4'-P-C4' energy: -134.014 flat angles P-C4'-P energy: -93.509 tors. eta vs tors. theta energy: -73.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3298.737434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.737434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.737434 (E_RNA) where: Base-Base interactions energy: -2340.932 where: short stacking energy: -951.410 Base-Backbone interact. energy: -7.013 local terms energy: -950.792280 where: bonds (distance) C4'-P energy: -167.472 bonds (distance) P-C4' energy: -175.324 flat angles C4'-P-C4' energy: -206.860 flat angles P-C4'-P energy: -158.364 tors. eta vs tors. theta energy: -242.773 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: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -3178.808686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.808686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.808686 (E_RNA) where: Base-Base interactions energy: -2251.507 where: short stacking energy: -948.714 Base-Backbone interact. energy: -2.253 local terms energy: -925.048767 where: bonds (distance) C4'-P energy: -169.891 bonds (distance) P-C4' energy: -170.026 flat angles C4'-P-C4' energy: -199.582 flat angles P-C4'-P energy: -143.820 tors. eta vs tors. theta energy: -241.730 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: 3, replica: 5 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -3123.891458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.891458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.891458 (E_RNA) where: Base-Base interactions energy: -2198.537 where: short stacking energy: -894.236 Base-Backbone interact. energy: -1.827 local terms energy: -923.527997 where: bonds (distance) C4'-P energy: -178.348 bonds (distance) P-C4' energy: -174.289 flat angles C4'-P-C4' energy: -194.232 flat angles P-C4'-P energy: -139.212 tors. eta vs tors. theta energy: -237.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2996.081836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.081836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.081836 (E_RNA) where: Base-Base interactions energy: -2127.565 where: short stacking energy: -841.176 Base-Backbone interact. energy: -3.342 local terms energy: -865.174728 where: bonds (distance) C4'-P energy: -161.596 bonds (distance) P-C4' energy: -177.341 flat angles C4'-P-C4' energy: -194.380 flat angles P-C4'-P energy: -112.523 tors. eta vs tors. theta energy: -219.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2795.734590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.734590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.734590 (E_RNA) where: Base-Base interactions energy: -1933.438 where: short stacking energy: -839.256 Base-Backbone interact. energy: 1.846 local terms energy: -864.142952 where: bonds (distance) C4'-P energy: -151.089 bonds (distance) P-C4' energy: -161.248 flat angles C4'-P-C4' energy: -195.840 flat angles P-C4'-P energy: -130.217 tors. eta vs tors. theta energy: -225.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2746.422972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.422972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.422972 (E_RNA) where: Base-Base interactions energy: -1907.036 where: short stacking energy: -804.857 Base-Backbone interact. energy: -0.343 local terms energy: -839.044718 where: bonds (distance) C4'-P energy: -159.635 bonds (distance) P-C4' energy: -156.360 flat angles C4'-P-C4' energy: -183.977 flat angles P-C4'-P energy: -121.437 tors. eta vs tors. theta energy: -217.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2355.987538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.987538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.987538 (E_RNA) where: Base-Base interactions energy: -1612.444 where: short stacking energy: -679.995 Base-Backbone interact. energy: -3.758 local terms energy: -739.785675 where: bonds (distance) C4'-P energy: -150.910 bonds (distance) P-C4' energy: -145.749 flat angles C4'-P-C4' energy: -160.956 flat angles P-C4'-P energy: -121.717 tors. eta vs tors. theta energy: -160.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -2204.824002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2204.824002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2204.824002 (E_RNA) where: Base-Base interactions energy: -1477.314 where: short stacking energy: -657.641 Base-Backbone interact. energy: -3.942 local terms energy: -723.568513 where: bonds (distance) C4'-P energy: -145.505 bonds (distance) P-C4' energy: -163.034 flat angles C4'-P-C4' energy: -168.994 flat angles P-C4'-P energy: -87.692 tors. eta vs tors. theta energy: -158.344 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: 10 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1917.636169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.636169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.636169 (E_RNA) where: Base-Base interactions energy: -1338.632 where: short stacking energy: -612.432 Base-Backbone interact. energy: 5.286 local terms energy: -584.289888 where: bonds (distance) C4'-P energy: -135.052 bonds (distance) P-C4' energy: -115.664 flat angles C4'-P-C4' energy: -155.922 flat angles P-C4'-P energy: -65.202 tors. eta vs tors. theta energy: -112.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1595.579315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.579315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.579315 (E_RNA) where: Base-Base interactions energy: -988.651 where: short stacking energy: -429.395 Base-Backbone interact. energy: -3.136 local terms energy: -603.791769 where: bonds (distance) C4'-P energy: -142.266 bonds (distance) P-C4' energy: -150.942 flat angles C4'-P-C4' energy: -157.431 flat angles P-C4'-P energy: -94.115 tors. eta vs tors. theta energy: -59.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3328.791344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.791344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.791344 (E_RNA) where: Base-Base interactions energy: -2343.058 where: short stacking energy: -952.708 Base-Backbone interact. energy: -5.952 local terms energy: -979.781192 where: bonds (distance) C4'-P energy: -187.559 bonds (distance) P-C4' energy: -185.305 flat angles C4'-P-C4' energy: -214.818 flat angles P-C4'-P energy: -140.046 tors. eta vs tors. theta energy: -252.053 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: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -3199.067178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.067178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.067178 (E_RNA) where: Base-Base interactions energy: -2236.081 where: short stacking energy: -935.303 Base-Backbone interact. energy: -5.524 local terms energy: -957.462222 where: bonds (distance) C4'-P energy: -179.212 bonds (distance) P-C4' energy: -190.013 flat angles C4'-P-C4' energy: -195.839 flat angles P-C4'-P energy: -151.468 tors. eta vs tors. theta energy: -240.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -3129.641908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.641908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.641908 (E_RNA) where: Base-Base interactions energy: -2237.860 where: short stacking energy: -905.850 Base-Backbone interact. energy: -3.555 local terms energy: -888.226373 where: bonds (distance) C4'-P energy: -167.238 bonds (distance) P-C4' energy: -166.849 flat angles C4'-P-C4' energy: -193.702 flat angles P-C4'-P energy: -124.369 tors. eta vs tors. theta energy: -236.068 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: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -3015.383256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.383256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.383256 (E_RNA) where: Base-Base interactions energy: -2125.745 where: short stacking energy: -846.902 Base-Backbone interact. energy: -5.838 local terms energy: -883.800439 where: bonds (distance) C4'-P energy: -162.722 bonds (distance) P-C4' energy: -174.761 flat angles C4'-P-C4' energy: -193.427 flat angles P-C4'-P energy: -131.420 tors. eta vs tors. theta energy: -221.470 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: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2816.213431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.213431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.213431 (E_RNA) where: Base-Base interactions energy: -1943.748 where: short stacking energy: -838.152 Base-Backbone interact. energy: -4.071 local terms energy: -868.394421 where: bonds (distance) C4'-P energy: -158.440 bonds (distance) P-C4' energy: -177.350 flat angles C4'-P-C4' energy: -188.222 flat angles P-C4'-P energy: -118.906 tors. eta vs tors. theta energy: -225.477 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: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2779.317934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.317934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.317934 (E_RNA) where: Base-Base interactions energy: -1924.250 where: short stacking energy: -840.618 Base-Backbone interact. energy: -1.403 local terms energy: -853.665709 where: bonds (distance) C4'-P energy: -146.047 bonds (distance) P-C4' energy: -171.473 flat angles C4'-P-C4' energy: -184.311 flat angles P-C4'-P energy: -117.095 tors. eta vs tors. theta energy: -234.740 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: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2372.606009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.606009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.606009 (E_RNA) where: Base-Base interactions energy: -1617.051 where: short stacking energy: -688.275 Base-Backbone interact. energy: -1.932 local terms energy: -753.623484 where: bonds (distance) C4'-P energy: -126.807 bonds (distance) P-C4' energy: -171.823 flat angles C4'-P-C4' energy: -173.803 flat angles P-C4'-P energy: -109.571 tors. eta vs tors. theta energy: -171.620 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: 8, replica: 3 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -2150.602814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.602814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.602814 (E_RNA) where: Base-Base interactions energy: -1452.940 where: short stacking energy: -638.810 Base-Backbone interact. energy: 0.567 local terms energy: -698.230179 where: bonds (distance) C4'-P energy: -139.403 bonds (distance) P-C4' energy: -151.047 flat angles C4'-P-C4' energy: -162.843 flat angles P-C4'-P energy: -107.305 tors. eta vs tors. theta energy: -137.633 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: 10 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1891.638775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.638775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.638775 (E_RNA) where: Base-Base interactions energy: -1259.073 where: short stacking energy: -554.290 Base-Backbone interact. energy: -2.626 local terms energy: -629.940309 where: bonds (distance) C4'-P energy: -138.242 bonds (distance) P-C4' energy: -159.707 flat angles C4'-P-C4' energy: -154.691 flat angles P-C4'-P energy: -83.674 tors. eta vs tors. theta energy: -93.626 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: 9 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1733.732404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.732404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.732404 (E_RNA) where: Base-Base interactions energy: -1137.543 where: short stacking energy: -509.499 Base-Backbone interact. energy: -2.682 local terms energy: -593.507499 where: bonds (distance) C4'-P energy: -146.786 bonds (distance) P-C4' energy: -139.913 flat angles C4'-P-C4' energy: -140.005 flat angles P-C4'-P energy: -72.724 tors. eta vs tors. theta energy: -94.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3321.893763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.893763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.893763 (E_RNA) where: Base-Base interactions energy: -2377.907 where: short stacking energy: -996.652 Base-Backbone interact. energy: -4.057 local terms energy: -939.929886 where: bonds (distance) C4'-P energy: -161.391 bonds (distance) P-C4' energy: -187.183 flat angles C4'-P-C4' energy: -208.084 flat angles P-C4'-P energy: -127.595 tors. eta vs tors. theta energy: -255.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -3209.418518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.418518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.418518 (E_RNA) where: Base-Base interactions energy: -2230.654 where: short stacking energy: -930.892 Base-Backbone interact. energy: -6.987 local terms energy: -971.777610 where: bonds (distance) C4'-P energy: -173.217 bonds (distance) P-C4' energy: -205.783 flat angles C4'-P-C4' energy: -207.267 flat angles P-C4'-P energy: -135.627 tors. eta vs tors. theta energy: -249.884 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: 3, replica: 5 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -3222.021653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.021653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.021653 (E_RNA) where: Base-Base interactions energy: -2263.651 where: short stacking energy: -945.024 Base-Backbone interact. energy: -6.651 local terms energy: -951.719306 where: bonds (distance) C4'-P energy: -174.739 bonds (distance) P-C4' energy: -190.429 flat angles C4'-P-C4' energy: -211.700 flat angles P-C4'-P energy: -133.369 tors. eta vs tors. theta energy: -241.482 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: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -3023.870451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.870451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.870451 (E_RNA) where: Base-Base interactions energy: -2138.478 where: short stacking energy: -867.642 Base-Backbone interact. energy: -3.792 local terms energy: -881.600427 where: bonds (distance) C4'-P energy: -172.683 bonds (distance) P-C4' energy: -167.968 flat angles C4'-P-C4' energy: -185.009 flat angles P-C4'-P energy: -123.955 tors. eta vs tors. theta energy: -231.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2823.908189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.908189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.908189 (E_RNA) where: Base-Base interactions energy: -1957.081 where: short stacking energy: -842.326 Base-Backbone interact. energy: -2.227 local terms energy: -864.600321 where: bonds (distance) C4'-P energy: -149.789 bonds (distance) P-C4' energy: -176.224 flat angles C4'-P-C4' energy: -187.636 flat angles P-C4'-P energy: -138.507 tors. eta vs tors. theta energy: -212.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2673.091840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.091840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.091840 (E_RNA) where: Base-Base interactions energy: -1855.166 where: short stacking energy: -802.051 Base-Backbone interact. energy: -1.395 local terms energy: -816.530732 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -164.073 flat angles C4'-P-C4' energy: -187.392 flat angles P-C4'-P energy: -107.685 tors. eta vs tors. theta energy: -213.222 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: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2335.692272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.692272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.692272 (E_RNA) where: Base-Base interactions energy: -1585.495 where: short stacking energy: -708.067 Base-Backbone interact. energy: -3.004 local terms energy: -747.192319 where: bonds (distance) C4'-P energy: -123.916 bonds (distance) P-C4' energy: -164.762 flat angles C4'-P-C4' energy: -190.944 flat angles P-C4'-P energy: -101.207 tors. eta vs tors. theta energy: -166.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -2220.364420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.364420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.364420 (E_RNA) where: Base-Base interactions energy: -1488.658 where: short stacking energy: -640.907 Base-Backbone interact. energy: -1.436 local terms energy: -730.270279 where: bonds (distance) C4'-P energy: -138.224 bonds (distance) P-C4' energy: -157.208 flat angles C4'-P-C4' energy: -185.735 flat angles P-C4'-P energy: -87.719 tors. eta vs tors. theta energy: -161.384 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: 10 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1920.572063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.572063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.572063 (E_RNA) where: Base-Base interactions energy: -1305.035 where: short stacking energy: -538.388 Base-Backbone interact. energy: -5.272 local terms energy: -610.264779 where: bonds (distance) C4'-P energy: -128.101 bonds (distance) P-C4' energy: -157.906 flat angles C4'-P-C4' energy: -158.705 flat angles P-C4'-P energy: -78.223 tors. eta vs tors. theta energy: -87.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1633.900644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.900644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.900644 (E_RNA) where: Base-Base interactions energy: -1026.082 where: short stacking energy: -448.692 Base-Backbone interact. energy: -4.343 local terms energy: -603.475800 where: bonds (distance) C4'-P energy: -141.476 bonds (distance) P-C4' energy: -157.314 flat angles C4'-P-C4' energy: -142.465 flat angles P-C4'-P energy: -76.669 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3280.113800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.113800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.113800 (E_RNA) where: Base-Base interactions energy: -2309.972 where: short stacking energy: -975.757 Base-Backbone interact. energy: -3.865 local terms energy: -966.276854 where: bonds (distance) C4'-P energy: -183.734 bonds (distance) P-C4' energy: -182.419 flat angles C4'-P-C4' energy: -207.302 flat angles P-C4'-P energy: -135.630 tors. eta vs tors. theta energy: -257.192 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: 2, replica: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -3222.638175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.638175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.638175 (E_RNA) where: Base-Base interactions energy: -2279.140 where: short stacking energy: -947.208 Base-Backbone interact. energy: -4.292 local terms energy: -939.206945 where: bonds (distance) C4'-P energy: -171.629 bonds (distance) P-C4' energy: -185.867 flat angles C4'-P-C4' energy: -208.703 flat angles P-C4'-P energy: -130.422 tors. eta vs tors. theta energy: -242.586 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: 4 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -3105.390017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.390017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.390017 (E_RNA) where: Base-Base interactions energy: -2188.763 where: short stacking energy: -897.610 Base-Backbone interact. energy: -2.363 local terms energy: -914.264383 where: bonds (distance) C4'-P energy: -160.429 bonds (distance) P-C4' energy: -174.046 flat angles C4'-P-C4' energy: -203.017 flat angles P-C4'-P energy: -133.024 tors. eta vs tors. theta energy: -243.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -3042.649041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.649041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.649041 (E_RNA) where: Base-Base interactions energy: -2174.313 where: short stacking energy: -901.870 Base-Backbone interact. energy: 2.974 local terms energy: -871.309867 where: bonds (distance) C4'-P energy: -171.701 bonds (distance) P-C4' energy: -165.986 flat angles C4'-P-C4' energy: -176.912 flat angles P-C4'-P energy: -120.439 tors. eta vs tors. theta energy: -236.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2864.500352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.500352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.500352 (E_RNA) where: Base-Base interactions energy: -2001.216 where: short stacking energy: -875.268 Base-Backbone interact. energy: -2.892 local terms energy: -860.391751 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -146.253 flat angles C4'-P-C4' energy: -200.822 flat angles P-C4'-P energy: -114.638 tors. eta vs tors. theta energy: -241.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2713.372732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.372732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.372732 (E_RNA) where: Base-Base interactions energy: -1874.458 where: short stacking energy: -802.344 Base-Backbone interact. energy: -0.374 local terms energy: -838.540641 where: bonds (distance) C4'-P energy: -157.070 bonds (distance) P-C4' energy: -174.817 flat angles C4'-P-C4' energy: -169.046 flat angles P-C4'-P energy: -115.998 tors. eta vs tors. theta energy: -221.609 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: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2312.794496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.794496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.794496 (E_RNA) where: Base-Base interactions energy: -1596.570 where: short stacking energy: -679.198 Base-Backbone interact. energy: -3.548 local terms energy: -712.676952 where: bonds (distance) C4'-P energy: -138.333 bonds (distance) P-C4' energy: -171.545 flat angles C4'-P-C4' energy: -159.127 flat angles P-C4'-P energy: -94.849 tors. eta vs tors. theta energy: -148.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -2200.578208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.578208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.578208 (E_RNA) where: Base-Base interactions energy: -1471.104 where: short stacking energy: -647.442 Base-Backbone interact. energy: -0.696 local terms energy: -728.778847 where: bonds (distance) C4'-P energy: -157.851 bonds (distance) P-C4' energy: -159.544 flat angles C4'-P-C4' energy: -164.681 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -140.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1878.037921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.037921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.037921 (E_RNA) where: Base-Base interactions energy: -1268.855 where: short stacking energy: -549.798 Base-Backbone interact. energy: -1.187 local terms energy: -607.996347 where: bonds (distance) C4'-P energy: -149.311 bonds (distance) P-C4' energy: -142.514 flat angles C4'-P-C4' energy: -138.055 flat angles P-C4'-P energy: -82.816 tors. eta vs tors. theta energy: -95.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1640.014513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.014513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.014513 (E_RNA) where: Base-Base interactions energy: -1042.199 where: short stacking energy: -482.451 Base-Backbone interact. energy: -2.889 local terms energy: -594.926383 where: bonds (distance) C4'-P energy: -142.319 bonds (distance) P-C4' energy: -166.698 flat angles C4'-P-C4' energy: -124.069 flat angles P-C4'-P energy: -78.324 tors. eta vs tors. theta energy: -83.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3285.774442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.774442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.774442 (E_RNA) where: Base-Base interactions energy: -2332.370 where: short stacking energy: -966.902 Base-Backbone interact. energy: 5.729 local terms energy: -959.133313 where: bonds (distance) C4'-P energy: -190.145 bonds (distance) P-C4' energy: -179.405 flat angles C4'-P-C4' energy: -196.623 flat angles P-C4'-P energy: -136.357 tors. eta vs tors. theta energy: -256.603 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: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -3177.047084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.047084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.047084 (E_RNA) where: Base-Base interactions energy: -2242.483 where: short stacking energy: -914.569 Base-Backbone interact. energy: 0.317 local terms energy: -934.880843 where: bonds (distance) C4'-P energy: -178.906 bonds (distance) P-C4' energy: -176.531 flat angles C4'-P-C4' energy: -206.681 flat angles P-C4'-P energy: -135.593 tors. eta vs tors. theta energy: -237.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -3110.795923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.795923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.795923 (E_RNA) where: Base-Base interactions energy: -2175.128 where: short stacking energy: -921.408 Base-Backbone interact. energy: -2.833 local terms energy: -932.835324 where: bonds (distance) C4'-P energy: -186.664 bonds (distance) P-C4' energy: -169.128 flat angles C4'-P-C4' energy: -216.718 flat angles P-C4'-P energy: -133.649 tors. eta vs tors. theta energy: -226.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -3024.751444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.751444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.751444 (E_RNA) where: Base-Base interactions energy: -2138.933 where: short stacking energy: -883.006 Base-Backbone interact. energy: -5.410 local terms energy: -880.408083 where: bonds (distance) C4'-P energy: -156.733 bonds (distance) P-C4' energy: -170.242 flat angles C4'-P-C4' energy: -201.237 flat angles P-C4'-P energy: -118.145 tors. eta vs tors. theta energy: -234.050 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: 2 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2846.389686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.389686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.389686 (E_RNA) where: Base-Base interactions energy: -1961.755 where: short stacking energy: -860.776 Base-Backbone interact. energy: 1.593 local terms energy: -886.228409 where: bonds (distance) C4'-P energy: -168.678 bonds (distance) P-C4' energy: -153.300 flat angles C4'-P-C4' energy: -207.712 flat angles P-C4'-P energy: -114.511 tors. eta vs tors. theta energy: -242.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2654.418101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.418101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.418101 (E_RNA) where: Base-Base interactions energy: -1864.951 where: short stacking energy: -851.159 Base-Backbone interact. energy: -4.063 local terms energy: -785.404261 where: bonds (distance) C4'-P energy: -134.785 bonds (distance) P-C4' energy: -164.806 flat angles C4'-P-C4' energy: -179.431 flat angles P-C4'-P energy: -98.910 tors. eta vs tors. theta energy: -207.472 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: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2330.734774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.734774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.734774 (E_RNA) where: Base-Base interactions energy: -1619.852 where: short stacking energy: -717.105 Base-Backbone interact. energy: 1.792 local terms energy: -712.674689 where: bonds (distance) C4'-P energy: -144.428 bonds (distance) P-C4' energy: -135.953 flat angles C4'-P-C4' energy: -175.748 flat angles P-C4'-P energy: -108.782 tors. eta vs tors. theta energy: -147.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -2133.191814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.191814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.191814 (E_RNA) where: Base-Base interactions energy: -1470.678 where: short stacking energy: -659.107 Base-Backbone interact. energy: -0.752 local terms energy: -661.761731 where: bonds (distance) C4'-P energy: -126.256 bonds (distance) P-C4' energy: -131.712 flat angles C4'-P-C4' energy: -150.063 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -153.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1702.251607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.251607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.251607 (E_RNA) where: Base-Base interactions energy: -1123.512 where: short stacking energy: -539.731 Base-Backbone interact. energy: -0.413 local terms energy: -578.326815 where: bonds (distance) C4'-P energy: -121.951 bonds (distance) P-C4' energy: -149.663 flat angles C4'-P-C4' energy: -136.062 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -93.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1774.365368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.365368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.365368 (E_RNA) where: Base-Base interactions energy: -1150.249 where: short stacking energy: -489.801 Base-Backbone interact. energy: 9.810 local terms energy: -633.926505 where: bonds (distance) C4'-P energy: -131.002 bonds (distance) P-C4' energy: -146.305 flat angles C4'-P-C4' energy: -166.643 flat angles P-C4'-P energy: -89.129 tors. eta vs tors. theta energy: -100.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3294.411404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.411404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.411404 (E_RNA) where: Base-Base interactions energy: -2343.218 where: short stacking energy: -952.773 Base-Backbone interact. energy: 1.418 local terms energy: -952.611584 where: bonds (distance) C4'-P energy: -165.607 bonds (distance) P-C4' energy: -185.593 flat angles C4'-P-C4' energy: -221.593 flat angles P-C4'-P energy: -127.703 tors. eta vs tors. theta energy: -252.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -3198.378543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.378543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.378543 (E_RNA) where: Base-Base interactions energy: -2239.851 where: short stacking energy: -927.032 Base-Backbone interact. energy: -5.670 local terms energy: -952.857447 where: bonds (distance) C4'-P energy: -167.779 bonds (distance) P-C4' energy: -190.291 flat angles C4'-P-C4' energy: -211.829 flat angles P-C4'-P energy: -144.116 tors. eta vs tors. theta energy: -238.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -3109.406981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.406981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.406981 (E_RNA) where: Base-Base interactions energy: -2182.797 where: short stacking energy: -925.854 Base-Backbone interact. energy: -3.056 local terms energy: -923.553703 where: bonds (distance) C4'-P energy: -174.533 bonds (distance) P-C4' energy: -188.216 flat angles C4'-P-C4' energy: -191.827 flat angles P-C4'-P energy: -129.090 tors. eta vs tors. theta energy: -239.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2961.065610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.065610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.065610 (E_RNA) where: Base-Base interactions energy: -2073.246 where: short stacking energy: -868.148 Base-Backbone interact. energy: -2.927 local terms energy: -884.892497 where: bonds (distance) C4'-P energy: -146.793 bonds (distance) P-C4' energy: -172.757 flat angles C4'-P-C4' energy: -195.412 flat angles P-C4'-P energy: -137.819 tors. eta vs tors. theta energy: -232.112 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: 2 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2862.873913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.873913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.873913 (E_RNA) where: Base-Base interactions energy: -1972.535 where: short stacking energy: -878.099 Base-Backbone interact. energy: -3.296 local terms energy: -887.043078 where: bonds (distance) C4'-P energy: -172.821 bonds (distance) P-C4' energy: -169.914 flat angles C4'-P-C4' energy: -186.471 flat angles P-C4'-P energy: -118.366 tors. eta vs tors. theta energy: -239.471 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: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2667.299281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.299281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.299281 (E_RNA) where: Base-Base interactions energy: -1846.003 where: short stacking energy: -797.259 Base-Backbone interact. energy: -1.438 local terms energy: -819.857544 where: bonds (distance) C4'-P energy: -159.459 bonds (distance) P-C4' energy: -159.785 flat angles C4'-P-C4' energy: -185.498 flat angles P-C4'-P energy: -107.139 tors. eta vs tors. theta energy: -207.977 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: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2372.616595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.616595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.616595 (E_RNA) where: Base-Base interactions energy: -1617.594 where: short stacking energy: -706.001 Base-Backbone interact. energy: -5.388 local terms energy: -749.634117 where: bonds (distance) C4'-P energy: -161.268 bonds (distance) P-C4' energy: -153.004 flat angles C4'-P-C4' energy: -171.520 flat angles P-C4'-P energy: -95.096 tors. eta vs tors. theta energy: -168.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -2171.637688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.637688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.637688 (E_RNA) where: Base-Base interactions energy: -1465.758 where: short stacking energy: -622.868 Base-Backbone interact. energy: -3.015 local terms energy: -702.864888 where: bonds (distance) C4'-P energy: -146.184 bonds (distance) P-C4' energy: -144.242 flat angles C4'-P-C4' energy: -152.938 flat angles P-C4'-P energy: -116.514 tors. eta vs tors. theta energy: -142.987 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: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1738.472626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.472626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.472626 (E_RNA) where: Base-Base interactions energy: -1113.199 where: short stacking energy: -543.289 Base-Backbone interact. energy: -5.520 local terms energy: -619.753855 where: bonds (distance) C4'-P energy: -137.672 bonds (distance) P-C4' energy: -158.630 flat angles C4'-P-C4' energy: -134.024 flat angles P-C4'-P energy: -99.999 tors. eta vs tors. theta energy: -89.428 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: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1773.091086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.091086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.091086 (E_RNA) where: Base-Base interactions energy: -1134.697 where: short stacking energy: -485.120 Base-Backbone interact. energy: 1.446 local terms energy: -639.840135 where: bonds (distance) C4'-P energy: -149.170 bonds (distance) P-C4' energy: -162.316 flat angles C4'-P-C4' energy: -141.230 flat angles P-C4'-P energy: -99.361 tors. eta vs tors. theta energy: -87.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3294.871367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.871367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.871367 (E_RNA) where: Base-Base interactions energy: -2339.300 where: short stacking energy: -951.806 Base-Backbone interact. energy: 4.465 local terms energy: -960.036758 where: bonds (distance) C4'-P energy: -178.020 bonds (distance) P-C4' energy: -206.081 flat angles C4'-P-C4' energy: -202.536 flat angles P-C4'-P energy: -133.542 tors. eta vs tors. theta energy: -239.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -3190.329752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.329752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.329752 (E_RNA) where: Base-Base interactions energy: -2239.684 where: short stacking energy: -931.171 Base-Backbone interact. energy: -2.602 local terms energy: -948.044107 where: bonds (distance) C4'-P energy: -186.420 bonds (distance) P-C4' energy: -191.868 flat angles C4'-P-C4' energy: -204.756 flat angles P-C4'-P energy: -129.051 tors. eta vs tors. theta energy: -235.949 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: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -3112.470038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.470038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.470038 (E_RNA) where: Base-Base interactions energy: -2175.478 where: short stacking energy: -896.702 Base-Backbone interact. energy: -7.492 local terms energy: -929.500312 where: bonds (distance) C4'-P energy: -166.989 bonds (distance) P-C4' energy: -179.778 flat angles C4'-P-C4' energy: -208.857 flat angles P-C4'-P energy: -126.804 tors. eta vs tors. theta energy: -247.073 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: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -3039.535019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.535019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.535019 (E_RNA) where: Base-Base interactions energy: -2168.362 where: short stacking energy: -916.914 Base-Backbone interact. energy: 0.696 local terms energy: -871.869178 where: bonds (distance) C4'-P energy: -148.072 bonds (distance) P-C4' energy: -165.899 flat angles C4'-P-C4' energy: -197.177 flat angles P-C4'-P energy: -119.511 tors. eta vs tors. theta energy: -241.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2875.531585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.531585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.531585 (E_RNA) where: Base-Base interactions energy: -1980.345 where: short stacking energy: -878.603 Base-Backbone interact. energy: -5.106 local terms energy: -890.081267 where: bonds (distance) C4'-P energy: -164.532 bonds (distance) P-C4' energy: -164.785 flat angles C4'-P-C4' energy: -197.443 flat angles P-C4'-P energy: -118.858 tors. eta vs tors. theta energy: -244.463 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: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2798.749665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.749665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.749665 (E_RNA) where: Base-Base interactions energy: -1920.497 where: short stacking energy: -820.126 Base-Backbone interact. energy: -1.233 local terms energy: -877.019724 where: bonds (distance) C4'-P energy: -186.919 bonds (distance) P-C4' energy: -160.406 flat angles C4'-P-C4' energy: -199.608 flat angles P-C4'-P energy: -112.865 tors. eta vs tors. theta energy: -217.222 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: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2382.139954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.139954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.139954 (E_RNA) where: Base-Base interactions energy: -1610.082 where: short stacking energy: -690.034 Base-Backbone interact. energy: -3.329 local terms energy: -768.728820 where: bonds (distance) C4'-P energy: -153.183 bonds (distance) P-C4' energy: -161.056 flat angles C4'-P-C4' energy: -172.568 flat angles P-C4'-P energy: -116.285 tors. eta vs tors. theta energy: -165.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -2236.052537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.052537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.052537 (E_RNA) where: Base-Base interactions energy: -1529.350 where: short stacking energy: -639.298 Base-Backbone interact. energy: -2.250 local terms energy: -704.452842 where: bonds (distance) C4'-P energy: -167.425 bonds (distance) P-C4' energy: -150.781 flat angles C4'-P-C4' energy: -159.507 flat angles P-C4'-P energy: -78.936 tors. eta vs tors. theta energy: -147.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1751.871843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.871843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.871843 (E_RNA) where: Base-Base interactions energy: -1144.538 where: short stacking energy: -509.423 Base-Backbone interact. energy: 0.367 local terms energy: -607.700234 where: bonds (distance) C4'-P energy: -98.137 bonds (distance) P-C4' energy: -152.732 flat angles C4'-P-C4' energy: -157.779 flat angles P-C4'-P energy: -97.218 tors. eta vs tors. theta energy: -101.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1769.526571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.526571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.526571 (E_RNA) where: Base-Base interactions energy: -1195.473 where: short stacking energy: -505.449 Base-Backbone interact. energy: -3.277 local terms energy: -570.776762 where: bonds (distance) C4'-P energy: -132.831 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -153.212 flat angles P-C4'-P energy: -69.703 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: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3280.887004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.887004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.887004 (E_RNA) where: Base-Base interactions energy: -2324.388 where: short stacking energy: -941.965 Base-Backbone interact. energy: -2.869 local terms energy: -953.630689 where: bonds (distance) C4'-P energy: -176.857 bonds (distance) P-C4' energy: -189.379 flat angles C4'-P-C4' energy: -216.457 flat angles P-C4'-P energy: -130.987 tors. eta vs tors. theta energy: -239.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -3184.679391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.679391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.679391 (E_RNA) where: Base-Base interactions energy: -2264.759 where: short stacking energy: -941.547 Base-Backbone interact. energy: -5.151 local terms energy: -914.769118 where: bonds (distance) C4'-P energy: -164.275 bonds (distance) P-C4' energy: -180.016 flat angles C4'-P-C4' energy: -189.815 flat angles P-C4'-P energy: -138.839 tors. eta vs tors. theta energy: -241.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -3067.205395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.205395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.205395 (E_RNA) where: Base-Base interactions energy: -2189.231 where: short stacking energy: -932.198 Base-Backbone interact. energy: -4.686 local terms energy: -873.287956 where: bonds (distance) C4'-P energy: -154.192 bonds (distance) P-C4' energy: -180.780 flat angles C4'-P-C4' energy: -175.116 flat angles P-C4'-P energy: -117.651 tors. eta vs tors. theta energy: -245.549 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: 4, replica: 6 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -2976.080106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.080106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.080106 (E_RNA) where: Base-Base interactions energy: -2099.238 where: short stacking energy: -866.436 Base-Backbone interact. energy: -7.448 local terms energy: -869.393612 where: bonds (distance) C4'-P energy: -146.608 bonds (distance) P-C4' energy: -174.289 flat angles C4'-P-C4' energy: -206.229 flat angles P-C4'-P energy: -114.694 tors. eta vs tors. theta energy: -227.573 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: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2822.458520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.458520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.458520 (E_RNA) where: Base-Base interactions energy: -1967.567 where: short stacking energy: -861.293 Base-Backbone interact. energy: -3.312 local terms energy: -851.579295 where: bonds (distance) C4'-P energy: -159.246 bonds (distance) P-C4' energy: -158.958 flat angles C4'-P-C4' energy: -186.686 flat angles P-C4'-P energy: -120.089 tors. eta vs tors. theta energy: -226.600 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: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2798.958866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.958866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.958866 (E_RNA) where: Base-Base interactions energy: -1969.053 where: short stacking energy: -824.721 Base-Backbone interact. energy: 2.330 local terms energy: -832.235370 where: bonds (distance) C4'-P energy: -149.232 bonds (distance) P-C4' energy: -140.365 flat angles C4'-P-C4' energy: -196.236 flat angles P-C4'-P energy: -129.152 tors. eta vs tors. theta energy: -217.251 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: 197 Temperature: 1.200000 Total energy: -2376.453431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.453431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.453431 (E_RNA) where: Base-Base interactions energy: -1632.705 where: short stacking energy: -719.236 Base-Backbone interact. energy: 2.039 local terms energy: -745.787281 where: bonds (distance) C4'-P energy: -143.469 bonds (distance) P-C4' energy: -165.733 flat angles C4'-P-C4' energy: -165.840 flat angles P-C4'-P energy: -110.892 tors. eta vs tors. theta energy: -159.854 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: 3 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -2236.334056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.334056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.334056 (E_RNA) where: Base-Base interactions energy: -1543.080 where: short stacking energy: -666.151 Base-Backbone interact. energy: -3.007 local terms energy: -690.246889 where: bonds (distance) C4'-P energy: -153.495 bonds (distance) P-C4' energy: -139.690 flat angles C4'-P-C4' energy: -154.327 flat angles P-C4'-P energy: -80.422 tors. eta vs tors. theta energy: -162.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1738.589137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.589137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.589137 (E_RNA) where: Base-Base interactions energy: -1112.005 where: short stacking energy: -518.472 Base-Backbone interact. energy: 1.806 local terms energy: -628.389816 where: bonds (distance) C4'-P energy: -148.992 bonds (distance) P-C4' energy: -133.901 flat angles C4'-P-C4' energy: -142.734 flat angles P-C4'-P energy: -97.424 tors. eta vs tors. theta energy: -105.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1769.886331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.886331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.886331 (E_RNA) where: Base-Base interactions energy: -1198.024 where: short stacking energy: -538.978 Base-Backbone interact. energy: 13.343 local terms energy: -585.205749 where: bonds (distance) C4'-P energy: -120.820 bonds (distance) P-C4' energy: -154.714 flat angles C4'-P-C4' energy: -133.484 flat angles P-C4'-P energy: -87.949 tors. eta vs tors. theta energy: -88.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3288.811925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.811925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.811925 (E_RNA) where: Base-Base interactions energy: -2301.596 where: short stacking energy: -950.628 Base-Backbone interact. energy: 5.021 local terms energy: -992.236755 where: bonds (distance) C4'-P energy: -176.179 bonds (distance) P-C4' energy: -206.434 flat angles C4'-P-C4' energy: -212.165 flat angles P-C4'-P energy: -138.102 tors. eta vs tors. theta energy: -259.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -3176.199255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.199255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.199255 (E_RNA) where: Base-Base interactions energy: -2251.155 where: short stacking energy: -916.621 Base-Backbone interact. energy: 0.278 local terms energy: -925.322489 where: bonds (distance) C4'-P energy: -159.484 bonds (distance) P-C4' energy: -180.733 flat angles C4'-P-C4' energy: -207.397 flat angles P-C4'-P energy: -136.939 tors. eta vs tors. theta energy: -240.769 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: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -3070.654567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.654567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.654567 (E_RNA) where: Base-Base interactions energy: -2166.033 where: short stacking energy: -918.519 Base-Backbone interact. energy: 1.760 local terms energy: -906.381245 where: bonds (distance) C4'-P energy: -170.318 bonds (distance) P-C4' energy: -160.853 flat angles C4'-P-C4' energy: -204.237 flat angles P-C4'-P energy: -132.258 tors. eta vs tors. theta energy: -238.716 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: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2975.384494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.384494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.384494 (E_RNA) where: Base-Base interactions energy: -2102.152 where: short stacking energy: -860.844 Base-Backbone interact. energy: 0.530 local terms energy: -873.763143 where: bonds (distance) C4'-P energy: -163.450 bonds (distance) P-C4' energy: -187.266 flat angles C4'-P-C4' energy: -198.313 flat angles P-C4'-P energy: -101.446 tors. eta vs tors. theta energy: -223.288 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: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2825.423557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.423557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.423557 (E_RNA) where: Base-Base interactions energy: -1985.824 where: short stacking energy: -874.722 Base-Backbone interact. energy: 0.646 local terms energy: -840.245568 where: bonds (distance) C4'-P energy: -143.540 bonds (distance) P-C4' energy: -159.922 flat angles C4'-P-C4' energy: -188.617 flat angles P-C4'-P energy: -110.704 tors. eta vs tors. theta energy: -237.463 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: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2740.398911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.398911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.398911 (E_RNA) where: Base-Base interactions energy: -1926.576 where: short stacking energy: -827.540 Base-Backbone interact. energy: -0.587 local terms energy: -813.236280 where: bonds (distance) C4'-P energy: -127.889 bonds (distance) P-C4' energy: -164.733 flat angles C4'-P-C4' energy: -189.604 flat angles P-C4'-P energy: -123.839 tors. eta vs tors. theta energy: -207.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2375.164003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.164003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.164003 (E_RNA) where: Base-Base interactions energy: -1630.104 where: short stacking energy: -688.625 Base-Backbone interact. energy: -1.058 local terms energy: -744.002121 where: bonds (distance) C4'-P energy: -144.662 bonds (distance) P-C4' energy: -142.664 flat angles C4'-P-C4' energy: -180.700 flat angles P-C4'-P energy: -115.269 tors. eta vs tors. theta energy: -160.708 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: 8, replica: 3 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -2247.079694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.079694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.079694 (E_RNA) where: Base-Base interactions energy: -1515.568 where: short stacking energy: -674.498 Base-Backbone interact. energy: -3.051 local terms energy: -728.461348 where: bonds (distance) C4'-P energy: -164.483 bonds (distance) P-C4' energy: -139.535 flat angles C4'-P-C4' energy: -158.928 flat angles P-C4'-P energy: -99.202 tors. eta vs tors. theta energy: -166.313 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: 198 Temperature: 1.300000 Total energy: -1812.834992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.834992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.834992 (E_RNA) where: Base-Base interactions energy: -1217.088 where: short stacking energy: -563.900 Base-Backbone interact. energy: 3.842 local terms energy: -599.588750 where: bonds (distance) C4'-P energy: -136.931 bonds (distance) P-C4' energy: -124.497 flat angles C4'-P-C4' energy: -139.230 flat angles P-C4'-P energy: -104.325 tors. eta vs tors. theta energy: -94.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1786.222135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.222135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.222135 (E_RNA) where: Base-Base interactions energy: -1195.753 where: short stacking energy: -513.517 Base-Backbone interact. energy: -3.663 local terms energy: -586.805711 where: bonds (distance) C4'-P energy: -133.759 bonds (distance) P-C4' energy: -159.955 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -80.654 tors. eta vs tors. theta energy: -93.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3278.935736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.935736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.935736 (E_RNA) where: Base-Base interactions energy: -2347.142 where: short stacking energy: -942.803 Base-Backbone interact. energy: -5.937 local terms energy: -925.856494 where: bonds (distance) C4'-P energy: -167.717 bonds (distance) P-C4' energy: -198.044 flat angles C4'-P-C4' energy: -198.141 flat angles P-C4'-P energy: -127.245 tors. eta vs tors. theta energy: -234.710 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: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -3227.405096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.405096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.405096 (E_RNA) where: Base-Base interactions energy: -2264.783 where: short stacking energy: -948.583 Base-Backbone interact. energy: -3.533 local terms energy: -959.089054 where: bonds (distance) C4'-P energy: -185.962 bonds (distance) P-C4' energy: -179.725 flat angles C4'-P-C4' energy: -212.245 flat angles P-C4'-P energy: -131.661 tors. eta vs tors. theta energy: -249.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -3113.409752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.409752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.409752 (E_RNA) where: Base-Base interactions energy: -2199.800 where: short stacking energy: -932.921 Base-Backbone interact. energy: -1.137 local terms energy: -912.472693 where: bonds (distance) C4'-P energy: -159.044 bonds (distance) P-C4' energy: -175.560 flat angles C4'-P-C4' energy: -207.093 flat angles P-C4'-P energy: -122.431 tors. eta vs tors. theta energy: -248.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2939.181225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.181225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.181225 (E_RNA) where: Base-Base interactions energy: -2099.521 where: short stacking energy: -858.742 Base-Backbone interact. energy: -0.812 local terms energy: -838.847520 where: bonds (distance) C4'-P energy: -149.634 bonds (distance) P-C4' energy: -171.134 flat angles C4'-P-C4' energy: -189.018 flat angles P-C4'-P energy: -117.661 tors. eta vs tors. theta energy: -211.401 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: 1 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2778.970637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.970637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.970637 (E_RNA) where: Base-Base interactions energy: -1933.228 where: short stacking energy: -841.024 Base-Backbone interact. energy: -2.861 local terms energy: -842.881965 where: bonds (distance) C4'-P energy: -161.653 bonds (distance) P-C4' energy: -159.727 flat angles C4'-P-C4' energy: -192.404 flat angles P-C4'-P energy: -110.206 tors. eta vs tors. theta energy: -218.892 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: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2744.223142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.223142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.223142 (E_RNA) where: Base-Base interactions energy: -1944.971 where: short stacking energy: -834.628 Base-Backbone interact. energy: -0.991 local terms energy: -798.260529 where: bonds (distance) C4'-P energy: -143.325 bonds (distance) P-C4' energy: -138.930 flat angles C4'-P-C4' energy: -196.409 flat angles P-C4'-P energy: -103.280 tors. eta vs tors. theta energy: -216.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2392.485130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.485130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.485130 (E_RNA) where: Base-Base interactions energy: -1680.008 where: short stacking energy: -753.773 Base-Backbone interact. energy: 0.242 local terms energy: -712.718979 where: bonds (distance) C4'-P energy: -124.102 bonds (distance) P-C4' energy: -137.460 flat angles C4'-P-C4' energy: -188.073 flat angles P-C4'-P energy: -84.427 tors. eta vs tors. theta energy: -178.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -2227.467521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.467521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.467521 (E_RNA) where: Base-Base interactions energy: -1482.370 where: short stacking energy: -634.147 Base-Backbone interact. energy: -1.585 local terms energy: -743.512395 where: bonds (distance) C4'-P energy: -160.441 bonds (distance) P-C4' energy: -168.671 flat angles C4'-P-C4' energy: -172.651 flat angles P-C4'-P energy: -87.218 tors. eta vs tors. theta energy: -154.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1826.765893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.765893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.765893 (E_RNA) where: Base-Base interactions energy: -1198.120 where: short stacking energy: -546.325 Base-Backbone interact. energy: -3.336 local terms energy: -625.309496 where: bonds (distance) C4'-P energy: -139.464 bonds (distance) P-C4' energy: -159.413 flat angles C4'-P-C4' energy: -143.573 flat angles P-C4'-P energy: -87.516 tors. eta vs tors. theta energy: -95.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1858.485374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.485374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.485374 (E_RNA) where: Base-Base interactions energy: -1275.350 where: short stacking energy: -534.297 Base-Backbone interact. energy: -1.867 local terms energy: -581.268243 where: bonds (distance) C4'-P energy: -136.671 bonds (distance) P-C4' energy: -172.327 flat angles C4'-P-C4' energy: -116.855 flat angles P-C4'-P energy: -58.452 tors. eta vs tors. theta energy: -96.963 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: 5 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3315.525663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.525663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.525663 (E_RNA) where: Base-Base interactions energy: -2332.335 where: short stacking energy: -996.008 Base-Backbone interact. energy: -5.436 local terms energy: -977.754969 where: bonds (distance) C4'-P energy: -181.941 bonds (distance) P-C4' energy: -194.855 flat angles C4'-P-C4' energy: -211.780 flat angles P-C4'-P energy: -131.871 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: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -3229.509861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.509861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.509861 (E_RNA) where: Base-Base interactions energy: -2301.901 where: short stacking energy: -952.344 Base-Backbone interact. energy: -7.732 local terms energy: -919.876247 where: bonds (distance) C4'-P energy: -168.773 bonds (distance) P-C4' energy: -171.923 flat angles C4'-P-C4' energy: -200.256 flat angles P-C4'-P energy: -130.297 tors. eta vs tors. theta energy: -248.628 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: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -3104.557209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.557209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.557209 (E_RNA) where: Base-Base interactions energy: -2182.372 where: short stacking energy: -927.155 Base-Backbone interact. energy: -3.057 local terms energy: -919.128408 where: bonds (distance) C4'-P energy: -169.377 bonds (distance) P-C4' energy: -162.021 flat angles C4'-P-C4' energy: -208.821 flat angles P-C4'-P energy: -140.122 tors. eta vs tors. theta energy: -238.788 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: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2948.261044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.261044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.261044 (E_RNA) where: Base-Base interactions energy: -2074.917 where: short stacking energy: -862.869 Base-Backbone interact. energy: -1.240 local terms energy: -872.103749 where: bonds (distance) C4'-P energy: -152.207 bonds (distance) P-C4' energy: -175.475 flat angles C4'-P-C4' energy: -192.140 flat angles P-C4'-P energy: -118.293 tors. eta vs tors. theta energy: -233.989 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: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2829.098952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.098952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.098952 (E_RNA) where: Base-Base interactions energy: -1985.506 where: short stacking energy: -834.806 Base-Backbone interact. energy: -0.953 local terms energy: -842.640342 where: bonds (distance) C4'-P energy: -147.978 bonds (distance) P-C4' energy: -168.131 flat angles C4'-P-C4' energy: -189.113 flat angles P-C4'-P energy: -112.281 tors. eta vs tors. theta energy: -225.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2654.790281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.790281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.790281 (E_RNA) where: Base-Base interactions energy: -1843.789 where: short stacking energy: -765.128 Base-Backbone interact. energy: -0.771 local terms energy: -810.230143 where: bonds (distance) C4'-P energy: -166.123 bonds (distance) P-C4' energy: -177.280 flat angles C4'-P-C4' energy: -177.276 flat angles P-C4'-P energy: -104.048 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: 3 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2262.203227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.203227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.203227 (E_RNA) where: Base-Base interactions energy: -1517.569 where: short stacking energy: -693.709 Base-Backbone interact. energy: 0.007 local terms energy: -744.641811 where: bonds (distance) C4'-P energy: -168.384 bonds (distance) P-C4' energy: -169.738 flat angles C4'-P-C4' energy: -162.575 flat angles P-C4'-P energy: -76.755 tors. eta vs tors. theta energy: -167.190 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: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -2313.662283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.662283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.662283 (E_RNA) where: Base-Base interactions energy: -1584.716 where: short stacking energy: -670.825 Base-Backbone interact. energy: -4.057 local terms energy: -724.888950 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -131.938 flat angles C4'-P-C4' energy: -169.791 flat angles P-C4'-P energy: -115.236 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: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1863.390066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.390066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.390066 (E_RNA) where: Base-Base interactions energy: -1229.786 where: short stacking energy: -514.686 Base-Backbone interact. energy: -0.588 local terms energy: -633.016897 where: bonds (distance) C4'-P energy: -135.724 bonds (distance) P-C4' energy: -161.069 flat angles C4'-P-C4' energy: -154.547 flat angles P-C4'-P energy: -85.120 tors. eta vs tors. theta energy: -96.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1770.935487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.935487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.935487 (E_RNA) where: Base-Base interactions energy: -1166.723 where: short stacking energy: -496.885 Base-Backbone interact. energy: -0.594 local terms energy: -603.618281 where: bonds (distance) C4'-P energy: -130.702 bonds (distance) P-C4' energy: -137.991 flat angles C4'-P-C4' energy: -132.709 flat angles P-C4'-P energy: -89.998 tors. eta vs tors. theta energy: -112.219 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: 5 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3327.911295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.911295 (E_RNA) where: Base-Base interactions energy: -2380.294 where: short stacking energy: -992.750 Base-Backbone interact. energy: -3.578 local terms energy: -944.039317 where: bonds (distance) C4'-P energy: -187.308 bonds (distance) P-C4' energy: -160.815 flat angles C4'-P-C4' energy: -215.860 flat angles P-C4'-P energy: -122.155 tors. eta vs tors. theta energy: -257.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -3206.542035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.542035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.542035 (E_RNA) where: Base-Base interactions energy: -2298.941 where: short stacking energy: -926.005 Base-Backbone interact. energy: 3.029 local terms energy: -910.629691 where: bonds (distance) C4'-P energy: -181.010 bonds (distance) P-C4' energy: -175.899 flat angles C4'-P-C4' energy: -183.766 flat angles P-C4'-P energy: -124.438 tors. eta vs tors. theta energy: -245.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -3056.025136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.025136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.025136 (E_RNA) where: Base-Base interactions energy: -2115.452 where: short stacking energy: -912.674 Base-Backbone interact. energy: 0.622 local terms energy: -941.194521 where: bonds (distance) C4'-P energy: -177.079 bonds (distance) P-C4' energy: -172.855 flat angles C4'-P-C4' energy: -211.998 flat angles P-C4'-P energy: -134.746 tors. eta vs tors. theta energy: -244.516 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: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2972.229850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.229850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.229850 (E_RNA) where: Base-Base interactions energy: -2103.209 where: short stacking energy: -857.035 Base-Backbone interact. energy: -0.726 local terms energy: -868.294442 where: bonds (distance) C4'-P energy: -164.786 bonds (distance) P-C4' energy: -175.121 flat angles C4'-P-C4' energy: -186.734 flat angles P-C4'-P energy: -116.106 tors. eta vs tors. theta energy: -225.547 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: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2913.204421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.204421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.204421 (E_RNA) where: Base-Base interactions energy: -2057.915 where: short stacking energy: -878.439 Base-Backbone interact. energy: -1.161 local terms energy: -854.127558 where: bonds (distance) C4'-P energy: -164.945 bonds (distance) P-C4' energy: -153.778 flat angles C4'-P-C4' energy: -186.586 flat angles P-C4'-P energy: -109.254 tors. eta vs tors. theta energy: -239.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2623.766092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.766092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.766092 (E_RNA) where: Base-Base interactions energy: -1808.573 where: short stacking energy: -825.432 Base-Backbone interact. energy: -2.315 local terms energy: -812.878472 where: bonds (distance) C4'-P energy: -167.386 bonds (distance) P-C4' energy: -145.850 flat angles C4'-P-C4' energy: -177.185 flat angles P-C4'-P energy: -120.929 tors. eta vs tors. theta energy: -201.528 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: 3 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2367.486216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.486216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.486216 (E_RNA) where: Base-Base interactions energy: -1601.606 where: short stacking energy: -702.136 Base-Backbone interact. energy: -1.353 local terms energy: -764.527026 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -141.900 flat angles C4'-P-C4' energy: -173.885 flat angles P-C4'-P energy: -122.343 tors. eta vs tors. theta energy: -178.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -2271.429175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.429175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.429175 (E_RNA) where: Base-Base interactions energy: -1533.453 where: short stacking energy: -638.245 Base-Backbone interact. energy: -3.903 local terms energy: -734.073803 where: bonds (distance) C4'-P energy: -140.398 bonds (distance) P-C4' energy: -172.027 flat angles C4'-P-C4' energy: -168.726 flat angles P-C4'-P energy: -98.493 tors. eta vs tors. theta energy: -154.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1864.885365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.885365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.885365 (E_RNA) where: Base-Base interactions energy: -1217.491 where: short stacking energy: -523.089 Base-Backbone interact. energy: -0.582 local terms energy: -646.812007 where: bonds (distance) C4'-P energy: -148.831 bonds (distance) P-C4' energy: -142.736 flat angles C4'-P-C4' energy: -149.223 flat angles P-C4'-P energy: -103.957 tors. eta vs tors. theta energy: -102.066 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: 9 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1666.926594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.926594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.926594 (E_RNA) where: Base-Base interactions energy: -1085.144 where: short stacking energy: -482.939 Base-Backbone interact. energy: 6.721 local terms energy: -588.504116 where: bonds (distance) C4'-P energy: -127.236 bonds (distance) P-C4' energy: -147.506 flat angles C4'-P-C4' energy: -156.372 flat angles P-C4'-P energy: -97.352 tors. eta vs tors. theta energy: -60.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3326.538645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.538645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.538645 (E_RNA) where: Base-Base interactions energy: -2363.973 where: short stacking energy: -988.760 Base-Backbone interact. energy: -1.254 local terms energy: -961.311544 where: bonds (distance) C4'-P energy: -174.994 bonds (distance) P-C4' energy: -192.515 flat angles C4'-P-C4' energy: -207.268 flat angles P-C4'-P energy: -140.686 tors. eta vs tors. theta energy: -245.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -3192.574488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.574488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.574488 (E_RNA) where: Base-Base interactions energy: -2262.177 where: short stacking energy: -910.162 Base-Backbone interact. energy: -3.114 local terms energy: -927.283860 where: bonds (distance) C4'-P energy: -170.754 bonds (distance) P-C4' energy: -181.777 flat angles C4'-P-C4' energy: -199.048 flat angles P-C4'-P energy: -136.481 tors. eta vs tors. theta energy: -239.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -3109.398777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.398777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.398777 (E_RNA) where: Base-Base interactions energy: -2165.140 where: short stacking energy: -928.141 Base-Backbone interact. energy: 3.134 local terms energy: -947.393052 where: bonds (distance) C4'-P energy: -178.563 bonds (distance) P-C4' energy: -182.174 flat angles C4'-P-C4' energy: -202.149 flat angles P-C4'-P energy: -133.326 tors. eta vs tors. theta energy: -251.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2975.461714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.461714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.461714 (E_RNA) where: Base-Base interactions energy: -2102.261 where: short stacking energy: -834.314 Base-Backbone interact. energy: -7.715 local terms energy: -865.486227 where: bonds (distance) C4'-P energy: -159.172 bonds (distance) P-C4' energy: -173.679 flat angles C4'-P-C4' energy: -189.319 flat angles P-C4'-P energy: -126.675 tors. eta vs tors. theta energy: -216.641 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: 2 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2870.634663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.634663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.634663 (E_RNA) where: Base-Base interactions energy: -1987.746 where: short stacking energy: -857.255 Base-Backbone interact. energy: -2.385 local terms energy: -880.503255 where: bonds (distance) C4'-P energy: -163.103 bonds (distance) P-C4' energy: -153.901 flat angles C4'-P-C4' energy: -194.223 flat angles P-C4'-P energy: -124.012 tors. eta vs tors. theta energy: -245.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2699.868848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.868848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.868848 (E_RNA) where: Base-Base interactions energy: -1880.692 where: short stacking energy: -801.522 Base-Backbone interact. energy: -2.942 local terms energy: -816.234637 where: bonds (distance) C4'-P energy: -162.363 bonds (distance) P-C4' energy: -149.594 flat angles C4'-P-C4' energy: -189.113 flat angles P-C4'-P energy: -103.385 tors. eta vs tors. theta energy: -211.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2329.161809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.161809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.161809 (E_RNA) where: Base-Base interactions energy: -1595.850 where: short stacking energy: -726.881 Base-Backbone interact. energy: 1.353 local terms energy: -734.665261 where: bonds (distance) C4'-P energy: -120.281 bonds (distance) P-C4' energy: -149.680 flat angles C4'-P-C4' energy: -174.900 flat angles P-C4'-P energy: -112.172 tors. eta vs tors. theta energy: -177.632 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: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -2275.106917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2275.106917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2275.106917 (E_RNA) where: Base-Base interactions energy: -1573.986 where: short stacking energy: -670.228 Base-Backbone interact. energy: -2.364 local terms energy: -698.757734 where: bonds (distance) C4'-P energy: -161.396 bonds (distance) P-C4' energy: -151.929 flat angles C4'-P-C4' energy: -138.412 flat angles P-C4'-P energy: -95.972 tors. eta vs tors. theta energy: -151.049 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: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1844.595429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.595429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.595429 (E_RNA) where: Base-Base interactions energy: -1230.109 where: short stacking energy: -557.182 Base-Backbone interact. energy: 1.184 local terms energy: -615.670320 where: bonds (distance) C4'-P energy: -119.615 bonds (distance) P-C4' energy: -140.288 flat angles C4'-P-C4' energy: -161.714 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -112.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1629.633874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.633874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.633874 (E_RNA) where: Base-Base interactions energy: -1024.641 where: short stacking energy: -483.217 Base-Backbone interact. energy: 3.353 local terms energy: -608.346211 where: bonds (distance) C4'-P energy: -129.670 bonds (distance) P-C4' energy: -157.906 flat angles C4'-P-C4' energy: -140.059 flat angles P-C4'-P energy: -88.669 tors. eta vs tors. theta energy: -92.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3320.120874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.120874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.120874 (E_RNA) where: Base-Base interactions energy: -2345.469 where: short stacking energy: -970.077 Base-Backbone interact. energy: -3.015 local terms energy: -971.636117 where: bonds (distance) C4'-P energy: -180.540 bonds (distance) P-C4' energy: -197.317 flat angles C4'-P-C4' energy: -193.749 flat angles P-C4'-P energy: -151.053 tors. eta vs tors. theta energy: -248.976 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: 8 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -3224.370563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.370563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.370563 (E_RNA) where: Base-Base interactions energy: -2315.415 where: short stacking energy: -936.730 Base-Backbone interact. energy: -8.259 local terms energy: -900.696384 where: bonds (distance) C4'-P energy: -174.964 bonds (distance) P-C4' energy: -167.019 flat angles C4'-P-C4' energy: -198.544 flat angles P-C4'-P energy: -130.404 tors. eta vs tors. theta energy: -229.765 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: 4 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -3073.020865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.020865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.020865 (E_RNA) where: Base-Base interactions energy: -2182.395 where: short stacking energy: -909.160 Base-Backbone interact. energy: -3.387 local terms energy: -887.239517 where: bonds (distance) C4'-P energy: -176.779 bonds (distance) P-C4' energy: -181.874 flat angles C4'-P-C4' energy: -200.412 flat angles P-C4'-P energy: -90.656 tors. eta vs tors. theta energy: -237.519 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: 203 Temperature: 1.050000 Total energy: -3012.219814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.219814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.219814 (E_RNA) where: Base-Base interactions energy: -2137.232 where: short stacking energy: -865.609 Base-Backbone interact. energy: 4.552 local terms energy: -879.540236 where: bonds (distance) C4'-P energy: -181.563 bonds (distance) P-C4' energy: -159.533 flat angles C4'-P-C4' energy: -188.914 flat angles P-C4'-P energy: -129.696 tors. eta vs tors. theta energy: -219.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2904.944988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.944988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.944988 (E_RNA) where: Base-Base interactions energy: -2015.329 where: short stacking energy: -883.358 Base-Backbone interact. energy: 3.345 local terms energy: -892.961342 where: bonds (distance) C4'-P energy: -176.028 bonds (distance) P-C4' energy: -168.402 flat angles C4'-P-C4' energy: -180.577 flat angles P-C4'-P energy: -125.292 tors. eta vs tors. theta energy: -242.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2688.331725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.331725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.331725 (E_RNA) where: Base-Base interactions energy: -1892.450 where: short stacking energy: -831.631 Base-Backbone interact. energy: -3.321 local terms energy: -792.560529 where: bonds (distance) C4'-P energy: -129.579 bonds (distance) P-C4' energy: -170.129 flat angles C4'-P-C4' energy: -170.615 flat angles P-C4'-P energy: -106.245 tors. eta vs tors. theta energy: -215.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -2413.971387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.971387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.971387 (E_RNA) where: Base-Base interactions energy: -1653.650 where: short stacking energy: -736.184 Base-Backbone interact. energy: -3.779 local terms energy: -756.542293 where: bonds (distance) C4'-P energy: -131.975 bonds (distance) P-C4' energy: -150.964 flat angles C4'-P-C4' energy: -172.447 flat angles P-C4'-P energy: -104.759 tors. eta vs tors. theta energy: -196.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -2293.410784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2293.410784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2293.410784 (E_RNA) where: Base-Base interactions energy: -1600.606 where: short stacking energy: -694.673 Base-Backbone interact. energy: 2.978 local terms energy: -695.783218 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -135.331 flat angles C4'-P-C4' energy: -177.845 flat angles P-C4'-P energy: -84.535 tors. eta vs tors. theta energy: -157.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1875.454807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.454807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.454807 (E_RNA) where: Base-Base interactions energy: -1260.411 where: short stacking energy: -565.721 Base-Backbone interact. energy: -2.148 local terms energy: -612.895264 where: bonds (distance) C4'-P energy: -135.058 bonds (distance) P-C4' energy: -137.681 flat angles C4'-P-C4' energy: -152.432 flat angles P-C4'-P energy: -77.782 tors. eta vs tors. theta energy: -109.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1636.179668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.179668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.179668 (E_RNA) where: Base-Base interactions energy: -1047.768 where: short stacking energy: -511.811 Base-Backbone interact. energy: 4.912 local terms energy: -593.323832 where: bonds (distance) C4'-P energy: -140.297 bonds (distance) P-C4' energy: -141.574 flat angles C4'-P-C4' energy: -118.380 flat angles P-C4'-P energy: -97.632 tors. eta vs tors. theta energy: -95.441 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: 5 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3344.921413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3344.921413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3344.921413 (E_RNA) where: Base-Base interactions energy: -2381.622 where: short stacking energy: -972.340 Base-Backbone interact. energy: -0.562 local terms energy: -962.737150 where: bonds (distance) C4'-P energy: -172.120 bonds (distance) P-C4' energy: -203.532 flat angles C4'-P-C4' energy: -209.999 flat angles P-C4'-P energy: -138.017 tors. eta vs tors. theta energy: -239.070 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: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -3210.952860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.952860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.952860 (E_RNA) where: Base-Base interactions energy: -2273.103 where: short stacking energy: -921.327 Base-Backbone interact. energy: -8.743 local terms energy: -929.106794 where: bonds (distance) C4'-P energy: -170.069 bonds (distance) P-C4' energy: -196.990 flat angles C4'-P-C4' energy: -198.587 flat angles P-C4'-P energy: -130.166 tors. eta vs tors. theta energy: -233.295 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: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -3104.173323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.173323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.173323 (E_RNA) where: Base-Base interactions energy: -2186.978 where: short stacking energy: -921.540 Base-Backbone interact. energy: -3.465 local terms energy: -913.730542 where: bonds (distance) C4'-P energy: -162.709 bonds (distance) P-C4' energy: -166.734 flat angles C4'-P-C4' energy: -211.654 flat angles P-C4'-P energy: -124.448 tors. eta vs tors. theta energy: -248.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -3006.091105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.091105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.091105 (E_RNA) where: Base-Base interactions energy: -2117.765 where: short stacking energy: -865.562 Base-Backbone interact. energy: -3.934 local terms energy: -884.391760 where: bonds (distance) C4'-P energy: -168.680 bonds (distance) P-C4' energy: -172.105 flat angles C4'-P-C4' energy: -188.363 flat angles P-C4'-P energy: -125.998 tors. eta vs tors. theta energy: -229.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2893.512537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.512537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.512537 (E_RNA) where: Base-Base interactions energy: -2003.508 where: short stacking energy: -856.637 Base-Backbone interact. energy: -4.013 local terms energy: -885.991856 where: bonds (distance) C4'-P energy: -167.294 bonds (distance) P-C4' energy: -172.135 flat angles C4'-P-C4' energy: -200.265 flat angles P-C4'-P energy: -120.118 tors. eta vs tors. theta energy: -226.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2713.640966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.640966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.640966 (E_RNA) where: Base-Base interactions energy: -1887.992 where: short stacking energy: -829.965 Base-Backbone interact. energy: -4.400 local terms energy: -821.248897 where: bonds (distance) C4'-P energy: -152.000 bonds (distance) P-C4' energy: -132.586 flat angles C4'-P-C4' energy: -181.207 flat angles P-C4'-P energy: -118.973 tors. eta vs tors. theta energy: -236.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2353.652224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.652224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.652224 (E_RNA) where: Base-Base interactions energy: -1606.086 where: short stacking energy: -709.197 Base-Backbone interact. energy: -1.749 local terms energy: -745.816919 where: bonds (distance) C4'-P energy: -140.505 bonds (distance) P-C4' energy: -161.825 flat angles C4'-P-C4' energy: -183.201 flat angles P-C4'-P energy: -113.396 tors. eta vs tors. theta energy: -146.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -2298.033844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.033844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.033844 (E_RNA) where: Base-Base interactions energy: -1583.869 where: short stacking energy: -695.207 Base-Backbone interact. energy: 5.986 local terms energy: -720.150895 where: bonds (distance) C4'-P energy: -132.787 bonds (distance) P-C4' energy: -153.207 flat angles C4'-P-C4' energy: -169.034 flat angles P-C4'-P energy: -98.424 tors. eta vs tors. theta energy: -166.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1873.412819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.412819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.412819 (E_RNA) where: Base-Base interactions energy: -1222.860 where: short stacking energy: -522.343 Base-Backbone interact. energy: 2.085 local terms energy: -652.638151 where: bonds (distance) C4'-P energy: -162.550 bonds (distance) P-C4' energy: -162.349 flat angles C4'-P-C4' energy: -151.829 flat angles P-C4'-P energy: -93.977 tors. eta vs tors. theta energy: -81.933 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: 10, replica: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1670.849169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.849169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.849169 (E_RNA) where: Base-Base interactions energy: -1077.196 where: short stacking energy: -500.198 Base-Backbone interact. energy: 0.236 local terms energy: -593.888948 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -156.084 flat angles C4'-P-C4' energy: -143.405 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -74.754 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: 5 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3297.330791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.330791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.330791 (E_RNA) where: Base-Base interactions energy: -2337.667 where: short stacking energy: -984.775 Base-Backbone interact. energy: -8.291 local terms energy: -951.372268 where: bonds (distance) C4'-P energy: -167.252 bonds (distance) P-C4' energy: -185.980 flat angles C4'-P-C4' energy: -213.739 flat angles P-C4'-P energy: -129.816 tors. eta vs tors. theta energy: -254.585 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: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -3190.521005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.521005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.521005 (E_RNA) where: Base-Base interactions energy: -2248.690 where: short stacking energy: -930.764 Base-Backbone interact. energy: -5.933 local terms energy: -935.898773 where: bonds (distance) C4'-P energy: -165.922 bonds (distance) P-C4' energy: -189.937 flat angles C4'-P-C4' energy: -203.093 flat angles P-C4'-P energy: -142.697 tors. eta vs tors. theta energy: -234.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -3114.009659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.009659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.009659 (E_RNA) where: Base-Base interactions energy: -2171.800 where: short stacking energy: -899.536 Base-Backbone interact. energy: 1.849 local terms energy: -944.058567 where: bonds (distance) C4'-P energy: -177.267 bonds (distance) P-C4' energy: -180.619 flat angles C4'-P-C4' energy: -207.595 flat angles P-C4'-P energy: -126.746 tors. eta vs tors. theta energy: -251.832 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: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -3015.294724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.294724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.294724 (E_RNA) where: Base-Base interactions energy: -2112.449 where: short stacking energy: -894.908 Base-Backbone interact. energy: -5.184 local terms energy: -897.662409 where: bonds (distance) C4'-P energy: -158.491 bonds (distance) P-C4' energy: -173.676 flat angles C4'-P-C4' energy: -195.399 flat angles P-C4'-P energy: -137.376 tors. eta vs tors. theta energy: -232.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2866.658454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.658454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.658454 (E_RNA) where: Base-Base interactions energy: -2010.979 where: short stacking energy: -861.861 Base-Backbone interact. energy: 2.844 local terms energy: -858.523629 where: bonds (distance) C4'-P energy: -161.798 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -183.544 flat angles P-C4'-P energy: -108.921 tors. eta vs tors. theta energy: -247.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2727.698515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.698515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.698515 (E_RNA) where: Base-Base interactions energy: -1869.874 where: short stacking energy: -793.390 Base-Backbone interact. energy: 2.048 local terms energy: -859.872348 where: bonds (distance) C4'-P energy: -161.678 bonds (distance) P-C4' energy: -184.071 flat angles C4'-P-C4' energy: -178.885 flat angles P-C4'-P energy: -125.545 tors. eta vs tors. theta energy: -209.693 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: 3 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2329.650667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.650667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.650667 (E_RNA) where: Base-Base interactions energy: -1577.166 where: short stacking energy: -714.534 Base-Backbone interact. energy: 1.653 local terms energy: -754.137430 where: bonds (distance) C4'-P energy: -158.731 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -168.446 flat angles P-C4'-P energy: -105.163 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: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -2305.043899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.043899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.043899 (E_RNA) where: Base-Base interactions energy: -1585.769 where: short stacking energy: -683.968 Base-Backbone interact. energy: -3.901 local terms energy: -715.373705 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -159.230 flat angles C4'-P-C4' energy: -161.503 flat angles P-C4'-P energy: -116.920 tors. eta vs tors. theta energy: -144.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1864.714487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.714487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.714487 (E_RNA) where: Base-Base interactions energy: -1244.977 where: short stacking energy: -531.904 Base-Backbone interact. energy: 3.997 local terms energy: -623.735151 where: bonds (distance) C4'-P energy: -128.952 bonds (distance) P-C4' energy: -165.610 flat angles C4'-P-C4' energy: -151.872 flat angles P-C4'-P energy: -76.152 tors. eta vs tors. theta energy: -101.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1706.228763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.228763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.228763 (E_RNA) where: Base-Base interactions energy: -1112.526 where: short stacking energy: -511.149 Base-Backbone interact. energy: 1.788 local terms energy: -595.491397 where: bonds (distance) C4'-P energy: -134.626 bonds (distance) P-C4' energy: -126.861 flat angles C4'-P-C4' energy: -151.198 flat angles P-C4'-P energy: -94.990 tors. eta vs tors. theta energy: -87.817 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: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3302.139696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.139696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.139696 (E_RNA) where: Base-Base interactions energy: -2341.189 where: short stacking energy: -966.481 Base-Backbone interact. energy: -7.596 local terms energy: -953.354602 where: bonds (distance) C4'-P energy: -165.970 bonds (distance) P-C4' energy: -188.870 flat angles C4'-P-C4' energy: -207.323 flat angles P-C4'-P energy: -138.102 tors. eta vs tors. theta energy: -253.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -3173.008408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.008408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.008408 (E_RNA) where: Base-Base interactions energy: -2254.572 where: short stacking energy: -915.462 Base-Backbone interact. energy: 7.058 local terms energy: -925.494170 where: bonds (distance) C4'-P energy: -177.424 bonds (distance) P-C4' energy: -176.795 flat angles C4'-P-C4' energy: -214.597 flat angles P-C4'-P energy: -118.665 tors. eta vs tors. theta energy: -238.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -3122.859558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.859558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.859558 (E_RNA) where: Base-Base interactions energy: -2196.524 where: short stacking energy: -952.218 Base-Backbone interact. energy: 0.192 local terms energy: -926.527694 where: bonds (distance) C4'-P energy: -166.037 bonds (distance) P-C4' energy: -181.987 flat angles C4'-P-C4' energy: -192.606 flat angles P-C4'-P energy: -133.029 tors. eta vs tors. theta energy: -252.869 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: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -3053.584651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.584651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.584651 (E_RNA) where: Base-Base interactions energy: -2188.500 where: short stacking energy: -869.226 Base-Backbone interact. energy: -3.432 local terms energy: -861.652698 where: bonds (distance) C4'-P energy: -153.384 bonds (distance) P-C4' energy: -183.169 flat angles C4'-P-C4' energy: -181.757 flat angles P-C4'-P energy: -111.656 tors. eta vs tors. theta energy: -231.686 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: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2936.895912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.895912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.895912 (E_RNA) where: Base-Base interactions energy: -2085.815 where: short stacking energy: -917.909 Base-Backbone interact. energy: 1.362 local terms energy: -852.442572 where: bonds (distance) C4'-P energy: -152.527 bonds (distance) P-C4' energy: -160.559 flat angles C4'-P-C4' energy: -171.574 flat angles P-C4'-P energy: -131.725 tors. eta vs tors. theta energy: -236.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2721.926559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.926559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.926559 (E_RNA) where: Base-Base interactions energy: -1854.450 where: short stacking energy: -809.797 Base-Backbone interact. energy: -3.594 local terms energy: -863.882247 where: bonds (distance) C4'-P energy: -173.916 bonds (distance) P-C4' energy: -175.780 flat angles C4'-P-C4' energy: -179.536 flat angles P-C4'-P energy: -116.249 tors. eta vs tors. theta energy: -218.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2402.451751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.451751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.451751 (E_RNA) where: Base-Base interactions energy: -1657.120 where: short stacking energy: -725.745 Base-Backbone interact. energy: -4.666 local terms energy: -740.666011 where: bonds (distance) C4'-P energy: -141.050 bonds (distance) P-C4' energy: -156.138 flat angles C4'-P-C4' energy: -161.669 flat angles P-C4'-P energy: -111.232 tors. eta vs tors. theta energy: -170.576 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -2277.571592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.571592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.571592 (E_RNA) where: Base-Base interactions energy: -1528.439 where: short stacking energy: -680.481 Base-Backbone interact. energy: -3.686 local terms energy: -745.446069 where: bonds (distance) C4'-P energy: -149.927 bonds (distance) P-C4' energy: -163.413 flat angles C4'-P-C4' energy: -175.050 flat angles P-C4'-P energy: -105.510 tors. eta vs tors. theta energy: -151.546 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: 206 Temperature: 1.300000 Total energy: -1841.589824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.589824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.589824 (E_RNA) where: Base-Base interactions energy: -1218.600 where: short stacking energy: -539.928 Base-Backbone interact. energy: 2.377 local terms energy: -625.367095 where: bonds (distance) C4'-P energy: -142.045 bonds (distance) P-C4' energy: -148.325 flat angles C4'-P-C4' energy: -150.423 flat angles P-C4'-P energy: -84.854 tors. eta vs tors. theta energy: -99.720 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: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1700.956023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.956023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.956023 (E_RNA) where: Base-Base interactions energy: -1120.234 where: short stacking energy: -492.604 Base-Backbone interact. energy: 2.136 local terms energy: -582.857984 where: bonds (distance) C4'-P energy: -148.616 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -135.767 flat angles P-C4'-P energy: -92.705 tors. eta vs tors. theta energy: -72.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3307.103595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.103595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.103595 (E_RNA) where: Base-Base interactions energy: -2342.847 where: short stacking energy: -974.384 Base-Backbone interact. energy: 3.592 local terms energy: -967.848693 where: bonds (distance) C4'-P energy: -172.519 bonds (distance) P-C4' energy: -185.813 flat angles C4'-P-C4' energy: -215.634 flat angles P-C4'-P energy: -138.725 tors. eta vs tors. theta energy: -255.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -3176.378217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.378217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.378217 (E_RNA) where: Base-Base interactions energy: -2260.966 where: short stacking energy: -915.546 Base-Backbone interact. energy: -3.223 local terms energy: -912.189134 where: bonds (distance) C4'-P energy: -168.276 bonds (distance) P-C4' energy: -181.283 flat angles C4'-P-C4' energy: -195.844 flat angles P-C4'-P energy: -128.641 tors. eta vs tors. theta energy: -238.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -3096.352025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.352025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.352025 (E_RNA) where: Base-Base interactions energy: -2192.832 where: short stacking energy: -924.966 Base-Backbone interact. energy: -2.212 local terms energy: -901.307927 where: bonds (distance) C4'-P energy: -153.669 bonds (distance) P-C4' energy: -168.854 flat angles C4'-P-C4' energy: -197.912 flat angles P-C4'-P energy: -121.121 tors. eta vs tors. theta energy: -259.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2996.707137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.707137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.707137 (E_RNA) where: Base-Base interactions energy: -2143.034 where: short stacking energy: -877.492 Base-Backbone interact. energy: -3.481 local terms energy: -850.192081 where: bonds (distance) C4'-P energy: -162.318 bonds (distance) P-C4' energy: -154.968 flat angles C4'-P-C4' energy: -189.220 flat angles P-C4'-P energy: -113.327 tors. eta vs tors. theta energy: -230.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2938.263803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.263803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.263803 (E_RNA) where: Base-Base interactions energy: -2074.089 where: short stacking energy: -871.221 Base-Backbone interact. energy: -3.226 local terms energy: -860.948470 where: bonds (distance) C4'-P energy: -149.972 bonds (distance) P-C4' energy: -157.064 flat angles C4'-P-C4' energy: -197.224 flat angles P-C4'-P energy: -124.349 tors. eta vs tors. theta energy: -232.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2785.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.284469 (E_RNA) where: Base-Base interactions energy: -1930.801 where: short stacking energy: -852.444 Base-Backbone interact. energy: -2.575 local terms energy: -851.908269 where: bonds (distance) C4'-P energy: -150.079 bonds (distance) P-C4' energy: -159.013 flat angles C4'-P-C4' energy: -201.300 flat angles P-C4'-P energy: -120.352 tors. eta vs tors. theta energy: -221.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2432.541188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.541188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.541188 (E_RNA) where: Base-Base interactions energy: -1657.853 where: short stacking energy: -740.151 Base-Backbone interact. energy: -2.569 local terms energy: -772.119116 where: bonds (distance) C4'-P energy: -150.642 bonds (distance) P-C4' energy: -160.047 flat angles C4'-P-C4' energy: -176.159 flat angles P-C4'-P energy: -122.837 tors. eta vs tors. theta energy: -162.434 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: 8, replica: 3 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -2209.515662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2209.515662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2209.515662 (E_RNA) where: Base-Base interactions energy: -1509.773 where: short stacking energy: -683.456 Base-Backbone interact. energy: -4.824 local terms energy: -694.918518 where: bonds (distance) C4'-P energy: -150.343 bonds (distance) P-C4' energy: -149.486 flat angles C4'-P-C4' energy: -140.874 flat angles P-C4'-P energy: -97.704 tors. eta vs tors. theta energy: -156.513 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: 207 Temperature: 1.300000 Total energy: -1870.415162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.415162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.415162 (E_RNA) where: Base-Base interactions energy: -1245.122 where: short stacking energy: -530.524 Base-Backbone interact. energy: 1.753 local terms energy: -627.045464 where: bonds (distance) C4'-P energy: -146.327 bonds (distance) P-C4' energy: -158.462 flat angles C4'-P-C4' energy: -137.816 flat angles P-C4'-P energy: -76.910 tors. eta vs tors. theta energy: -107.531 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: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1682.860353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.860353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.860353 (E_RNA) where: Base-Base interactions energy: -1077.308 where: short stacking energy: -495.307 Base-Backbone interact. energy: -3.552 local terms energy: -602.000403 where: bonds (distance) C4'-P energy: -162.579 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -153.875 flat angles P-C4'-P energy: -65.319 tors. eta vs tors. theta energy: -73.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3301.749145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.749145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.749145 (E_RNA) where: Base-Base interactions energy: -2348.847 where: short stacking energy: -954.371 Base-Backbone interact. energy: -6.470 local terms energy: -946.432545 where: bonds (distance) C4'-P energy: -191.951 bonds (distance) P-C4' energy: -182.580 flat angles C4'-P-C4' energy: -206.341 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -245.262 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: 8 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -3185.737009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.737009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.737009 (E_RNA) where: Base-Base interactions energy: -2223.004 where: short stacking energy: -885.589 Base-Backbone interact. energy: -5.293 local terms energy: -957.440382 where: bonds (distance) C4'-P energy: -182.624 bonds (distance) P-C4' energy: -186.818 flat angles C4'-P-C4' energy: -204.062 flat angles P-C4'-P energy: -145.447 tors. eta vs tors. theta energy: -238.490 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: 4 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -3140.125149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.125149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.125149 (E_RNA) where: Base-Base interactions energy: -2198.594 where: short stacking energy: -935.632 Base-Backbone interact. energy: -0.942 local terms energy: -940.589217 where: bonds (distance) C4'-P energy: -160.895 bonds (distance) P-C4' energy: -168.136 flat angles C4'-P-C4' energy: -214.659 flat angles P-C4'-P energy: -135.779 tors. eta vs tors. theta energy: -261.119 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: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -3061.643211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.643211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.643211 (E_RNA) where: Base-Base interactions energy: -2143.183 where: short stacking energy: -865.830 Base-Backbone interact. energy: -5.284 local terms energy: -913.175710 where: bonds (distance) C4'-P energy: -165.683 bonds (distance) P-C4' energy: -178.329 flat angles C4'-P-C4' energy: -205.887 flat angles P-C4'-P energy: -131.778 tors. eta vs tors. theta energy: -231.498 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: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2806.642212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.642212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.642212 (E_RNA) where: Base-Base interactions energy: -1972.864 where: short stacking energy: -850.511 Base-Backbone interact. energy: -1.182 local terms energy: -832.597099 where: bonds (distance) C4'-P energy: -154.031 bonds (distance) P-C4' energy: -140.635 flat angles C4'-P-C4' energy: -184.862 flat angles P-C4'-P energy: -127.230 tors. eta vs tors. theta energy: -225.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2757.678196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.678196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.678196 (E_RNA) where: Base-Base interactions energy: -1961.515 where: short stacking energy: -827.478 Base-Backbone interact. energy: -3.876 local terms energy: -792.287029 where: bonds (distance) C4'-P energy: -107.721 bonds (distance) P-C4' energy: -165.596 flat angles C4'-P-C4' energy: -187.316 flat angles P-C4'-P energy: -115.543 tors. eta vs tors. theta energy: -216.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2454.817246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2454.817246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2454.817246 (E_RNA) where: Base-Base interactions energy: -1718.150 where: short stacking energy: -744.962 Base-Backbone interact. energy: -3.341 local terms energy: -733.326292 where: bonds (distance) C4'-P energy: -149.028 bonds (distance) P-C4' energy: -145.029 flat angles C4'-P-C4' energy: -179.520 flat angles P-C4'-P energy: -80.377 tors. eta vs tors. theta energy: -179.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -2134.794002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.794002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.794002 (E_RNA) where: Base-Base interactions energy: -1394.024 where: short stacking energy: -617.778 Base-Backbone interact. energy: -0.612 local terms energy: -740.157846 where: bonds (distance) C4'-P energy: -116.862 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -176.882 flat angles P-C4'-P energy: -125.627 tors. eta vs tors. theta energy: -154.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1867.913344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.913344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.913344 (E_RNA) where: Base-Base interactions energy: -1232.261 where: short stacking energy: -511.336 Base-Backbone interact. energy: 8.708 local terms energy: -644.360362 where: bonds (distance) C4'-P energy: -132.371 bonds (distance) P-C4' energy: -161.804 flat angles C4'-P-C4' energy: -154.817 flat angles P-C4'-P energy: -99.160 tors. eta vs tors. theta energy: -96.209 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: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1768.490048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.490048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.490048 (E_RNA) where: Base-Base interactions energy: -1152.223 where: short stacking energy: -494.627 Base-Backbone interact. energy: -3.031 local terms energy: -613.236777 where: bonds (distance) C4'-P energy: -142.771 bonds (distance) P-C4' energy: -150.565 flat angles C4'-P-C4' energy: -135.620 flat angles P-C4'-P energy: -82.969 tors. eta vs tors. theta energy: -101.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3353.490362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3353.490362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3353.490362 (E_RNA) where: Base-Base interactions energy: -2376.610 where: short stacking energy: -991.873 Base-Backbone interact. energy: -6.701 local terms energy: -970.179450 where: bonds (distance) C4'-P energy: -166.787 bonds (distance) P-C4' energy: -185.723 flat angles C4'-P-C4' energy: -205.972 flat angles P-C4'-P energy: -152.021 tors. eta vs tors. theta energy: -259.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -3215.582225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.582225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.582225 (E_RNA) where: Base-Base interactions energy: -2261.099 where: short stacking energy: -926.259 Base-Backbone interact. energy: -3.488 local terms energy: -950.994645 where: bonds (distance) C4'-P energy: -165.853 bonds (distance) P-C4' energy: -179.755 flat angles C4'-P-C4' energy: -227.271 flat angles P-C4'-P energy: -140.602 tors. eta vs tors. theta energy: -237.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -3088.515022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.515022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.515022 (E_RNA) where: Base-Base interactions energy: -2157.937 where: short stacking energy: -902.934 Base-Backbone interact. energy: -4.975 local terms energy: -925.603765 where: bonds (distance) C4'-P energy: -167.178 bonds (distance) P-C4' energy: -179.061 flat angles C4'-P-C4' energy: -197.156 flat angles P-C4'-P energy: -130.198 tors. eta vs tors. theta energy: -252.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -3028.022718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.022718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.022718 (E_RNA) where: Base-Base interactions energy: -2135.773 where: short stacking energy: -887.698 Base-Backbone interact. energy: 0.078 local terms energy: -892.327352 where: bonds (distance) C4'-P energy: -174.255 bonds (distance) P-C4' energy: -161.529 flat angles C4'-P-C4' energy: -199.711 flat angles P-C4'-P energy: -116.496 tors. eta vs tors. theta energy: -240.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2880.293071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.293071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.293071 (E_RNA) where: Base-Base interactions energy: -2032.664 where: short stacking energy: -861.544 Base-Backbone interact. energy: 0.905 local terms energy: -848.534153 where: bonds (distance) C4'-P energy: -155.932 bonds (distance) P-C4' energy: -164.434 flat angles C4'-P-C4' energy: -184.132 flat angles P-C4'-P energy: -118.639 tors. eta vs tors. theta energy: -225.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2757.774996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.774996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.774996 (E_RNA) where: Base-Base interactions energy: -1913.546 where: short stacking energy: -811.540 Base-Backbone interact. energy: -2.086 local terms energy: -842.143354 where: bonds (distance) C4'-P energy: -157.483 bonds (distance) P-C4' energy: -160.738 flat angles C4'-P-C4' energy: -170.606 flat angles P-C4'-P energy: -131.196 tors. eta vs tors. theta energy: -222.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2394.266165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.266165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.266165 (E_RNA) where: Base-Base interactions energy: -1667.643 where: short stacking energy: -727.143 Base-Backbone interact. energy: 0.905 local terms energy: -727.527656 where: bonds (distance) C4'-P energy: -135.354 bonds (distance) P-C4' energy: -148.394 flat angles C4'-P-C4' energy: -153.415 flat angles P-C4'-P energy: -110.436 tors. eta vs tors. theta energy: -179.928 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: 3 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -2072.133822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.133822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.133822 (E_RNA) where: Base-Base interactions energy: -1407.726 where: short stacking energy: -641.632 Base-Backbone interact. energy: 4.194 local terms energy: -668.601840 where: bonds (distance) C4'-P energy: -120.472 bonds (distance) P-C4' energy: -178.463 flat angles C4'-P-C4' energy: -177.150 flat angles P-C4'-P energy: -66.483 tors. eta vs tors. theta energy: -126.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1858.697913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.697913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.697913 (E_RNA) where: Base-Base interactions energy: -1290.460 where: short stacking energy: -544.833 Base-Backbone interact. energy: 11.490 local terms energy: -579.727059 where: bonds (distance) C4'-P energy: -114.447 bonds (distance) P-C4' energy: -139.035 flat angles C4'-P-C4' energy: -151.396 flat angles P-C4'-P energy: -73.573 tors. eta vs tors. theta energy: -101.275 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: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1791.069761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.069761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.069761 (E_RNA) where: Base-Base interactions energy: -1195.654 where: short stacking energy: -517.627 Base-Backbone interact. energy: 0.368 local terms energy: -595.783547 where: bonds (distance) C4'-P energy: -148.938 bonds (distance) P-C4' energy: -145.625 flat angles C4'-P-C4' energy: -131.682 flat angles P-C4'-P energy: -86.300 tors. eta vs tors. theta energy: -83.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3296.048386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.048386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.048386 (E_RNA) where: Base-Base interactions energy: -2354.695 where: short stacking energy: -941.973 Base-Backbone interact. energy: -6.923 local terms energy: -934.431168 where: bonds (distance) C4'-P energy: -167.167 bonds (distance) P-C4' energy: -196.342 flat angles C4'-P-C4' energy: -212.030 flat angles P-C4'-P energy: -119.449 tors. eta vs tors. theta energy: -239.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -3249.682511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.682511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.682511 (E_RNA) where: Base-Base interactions energy: -2267.816 where: short stacking energy: -946.767 Base-Backbone interact. energy: 3.729 local terms energy: -985.594919 where: bonds (distance) C4'-P energy: -191.927 bonds (distance) P-C4' energy: -197.650 flat angles C4'-P-C4' energy: -210.578 flat angles P-C4'-P energy: -131.287 tors. eta vs tors. theta energy: -254.154 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: 4 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -3115.406898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.406898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.406898 (E_RNA) where: Base-Base interactions energy: -2215.995 where: short stacking energy: -916.563 Base-Backbone interact. energy: -1.117 local terms energy: -898.295015 where: bonds (distance) C4'-P energy: -166.630 bonds (distance) P-C4' energy: -178.352 flat angles C4'-P-C4' energy: -195.487 flat angles P-C4'-P energy: -122.579 tors. eta vs tors. theta energy: -235.248 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: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -3031.040910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.040910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.040910 (E_RNA) where: Base-Base interactions energy: -2166.595 where: short stacking energy: -895.292 Base-Backbone interact. energy: 3.658 local terms energy: -868.104084 where: bonds (distance) C4'-P energy: -151.966 bonds (distance) P-C4' energy: -174.187 flat angles C4'-P-C4' energy: -183.477 flat angles P-C4'-P energy: -130.703 tors. eta vs tors. theta energy: -227.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2870.671884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.671884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.671884 (E_RNA) where: Base-Base interactions energy: -2010.235 where: short stacking energy: -879.516 Base-Backbone interact. energy: 1.846 local terms energy: -862.283391 where: bonds (distance) C4'-P energy: -158.506 bonds (distance) P-C4' energy: -159.135 flat angles C4'-P-C4' energy: -195.209 flat angles P-C4'-P energy: -117.526 tors. eta vs tors. theta energy: -231.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2736.982490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.982490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.982490 (E_RNA) where: Base-Base interactions energy: -1903.036 where: short stacking energy: -797.076 Base-Backbone interact. energy: 4.611 local terms energy: -838.557351 where: bonds (distance) C4'-P energy: -161.773 bonds (distance) P-C4' energy: -163.712 flat angles C4'-P-C4' energy: -174.496 flat angles P-C4'-P energy: -112.495 tors. eta vs tors. theta energy: -226.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2508.863606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.863606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.863606 (E_RNA) where: Base-Base interactions energy: -1719.434 where: short stacking energy: -758.754 Base-Backbone interact. energy: -0.829 local terms energy: -788.600028 where: bonds (distance) C4'-P energy: -157.341 bonds (distance) P-C4' energy: -152.047 flat angles C4'-P-C4' energy: -189.827 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -190.607 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: 8, replica: 3 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -2185.464997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.464997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.464997 (E_RNA) where: Base-Base interactions energy: -1464.499 where: short stacking energy: -657.540 Base-Backbone interact. energy: -2.821 local terms energy: -718.144334 where: bonds (distance) C4'-P energy: -151.426 bonds (distance) P-C4' energy: -145.113 flat angles C4'-P-C4' energy: -164.777 flat angles P-C4'-P energy: -104.937 tors. eta vs tors. theta energy: -151.892 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: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1844.991589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.991589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.991589 (E_RNA) where: Base-Base interactions energy: -1234.408 where: short stacking energy: -549.193 Base-Backbone interact. energy: 0.811 local terms energy: -611.395304 where: bonds (distance) C4'-P energy: -136.836 bonds (distance) P-C4' energy: -138.253 flat angles C4'-P-C4' energy: -143.321 flat angles P-C4'-P energy: -89.688 tors. eta vs tors. theta energy: -103.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1813.812576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.812576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.812576 (E_RNA) where: Base-Base interactions energy: -1208.681 where: short stacking energy: -526.125 Base-Backbone interact. energy: 2.748 local terms energy: -607.879390 where: bonds (distance) C4'-P energy: -117.174 bonds (distance) P-C4' energy: -144.713 flat angles C4'-P-C4' energy: -138.886 flat angles P-C4'-P energy: -84.777 tors. eta vs tors. theta energy: -122.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3300.748820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.748820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.748820 (E_RNA) where: Base-Base interactions energy: -2320.381 where: short stacking energy: -958.882 Base-Backbone interact. energy: -1.460 local terms energy: -978.907858 where: bonds (distance) C4'-P energy: -176.103 bonds (distance) P-C4' energy: -188.951 flat angles C4'-P-C4' energy: -226.375 flat angles P-C4'-P energy: -137.464 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: 5 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -3231.435092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.435092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.435092 (E_RNA) where: Base-Base interactions energy: -2299.002 where: short stacking energy: -976.817 Base-Backbone interact. energy: 1.149 local terms energy: -933.582050 where: bonds (distance) C4'-P energy: -184.521 bonds (distance) P-C4' energy: -171.273 flat angles C4'-P-C4' energy: -197.058 flat angles P-C4'-P energy: -127.967 tors. eta vs tors. theta energy: -252.763 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: 4 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -3123.310820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.310820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.310820 (E_RNA) where: Base-Base interactions energy: -2183.565 where: short stacking energy: -920.262 Base-Backbone interact. energy: -0.731 local terms energy: -939.014128 where: bonds (distance) C4'-P energy: -171.735 bonds (distance) P-C4' energy: -183.446 flat angles C4'-P-C4' energy: -191.444 flat angles P-C4'-P energy: -149.480 tors. eta vs tors. theta energy: -242.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2999.683996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.683996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.683996 (E_RNA) where: Base-Base interactions energy: -2107.892 where: short stacking energy: -861.478 Base-Backbone interact. energy: 5.005 local terms energy: -896.797315 where: bonds (distance) C4'-P energy: -179.116 bonds (distance) P-C4' energy: -169.693 flat angles C4'-P-C4' energy: -203.899 flat angles P-C4'-P energy: -108.531 tors. eta vs tors. theta energy: -235.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2882.217806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.217806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.217806 (E_RNA) where: Base-Base interactions energy: -2016.387 where: short stacking energy: -889.389 Base-Backbone interact. energy: -4.462 local terms energy: -861.369259 where: bonds (distance) C4'-P energy: -150.026 bonds (distance) P-C4' energy: -158.343 flat angles C4'-P-C4' energy: -185.952 flat angles P-C4'-P energy: -119.938 tors. eta vs tors. theta energy: -247.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2754.883519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.883519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.883519 (E_RNA) where: Base-Base interactions energy: -1947.762 where: short stacking energy: -831.682 Base-Backbone interact. energy: 0.338 local terms energy: -807.460266 where: bonds (distance) C4'-P energy: -127.022 bonds (distance) P-C4' energy: -159.326 flat angles C4'-P-C4' energy: -180.243 flat angles P-C4'-P energy: -126.831 tors. eta vs tors. theta energy: -214.038 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: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2389.579452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.579452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.579452 (E_RNA) where: Base-Base interactions energy: -1616.059 where: short stacking energy: -728.972 Base-Backbone interact. energy: -0.493 local terms energy: -773.028233 where: bonds (distance) C4'-P energy: -151.358 bonds (distance) P-C4' energy: -153.832 flat angles C4'-P-C4' energy: -172.453 flat angles P-C4'-P energy: -113.422 tors. eta vs tors. theta energy: -181.965 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: 3 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -2087.062831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.062831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.062831 (E_RNA) where: Base-Base interactions energy: -1366.123 where: short stacking energy: -599.040 Base-Backbone interact. energy: -0.678 local terms energy: -720.261681 where: bonds (distance) C4'-P energy: -151.863 bonds (distance) P-C4' energy: -165.839 flat angles C4'-P-C4' energy: -161.800 flat angles P-C4'-P energy: -108.348 tors. eta vs tors. theta energy: -132.411 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: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1837.953815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.953815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.953815 (E_RNA) where: Base-Base interactions energy: -1190.840 where: short stacking energy: -513.258 Base-Backbone interact. energy: -1.807 local terms energy: -645.306827 where: bonds (distance) C4'-P energy: -141.752 bonds (distance) P-C4' energy: -150.165 flat angles C4'-P-C4' energy: -160.442 flat angles P-C4'-P energy: -98.377 tors. eta vs tors. theta energy: -94.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1769.921148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.921148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.921148 (E_RNA) where: Base-Base interactions energy: -1195.934 where: short stacking energy: -533.152 Base-Backbone interact. energy: -2.603 local terms energy: -571.384029 where: bonds (distance) C4'-P energy: -139.566 bonds (distance) P-C4' energy: -128.244 flat angles C4'-P-C4' energy: -127.314 flat angles P-C4'-P energy: -76.359 tors. eta vs tors. theta energy: -99.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3347.467930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.467930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.467930 (E_RNA) where: Base-Base interactions energy: -2382.917 where: short stacking energy: -972.772 Base-Backbone interact. energy: -4.788 local terms energy: -959.762211 where: bonds (distance) C4'-P energy: -166.300 bonds (distance) P-C4' energy: -204.419 flat angles C4'-P-C4' energy: -208.623 flat angles P-C4'-P energy: -132.895 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: 2, replica: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -3252.068145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.068145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.068145 (E_RNA) where: Base-Base interactions energy: -2306.072 where: short stacking energy: -980.644 Base-Backbone interact. energy: 3.606 local terms energy: -949.602508 where: bonds (distance) C4'-P energy: -187.629 bonds (distance) P-C4' energy: -173.782 flat angles C4'-P-C4' energy: -194.987 flat angles P-C4'-P energy: -131.840 tors. eta vs tors. theta energy: -261.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -3133.073031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.073031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.073031 (E_RNA) where: Base-Base interactions energy: -2209.728 where: short stacking energy: -928.129 Base-Backbone interact. energy: -3.186 local terms energy: -920.159009 where: bonds (distance) C4'-P energy: -174.271 bonds (distance) P-C4' energy: -164.480 flat angles C4'-P-C4' energy: -203.890 flat angles P-C4'-P energy: -126.083 tors. eta vs tors. theta energy: -251.435 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: 6 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -3010.550687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.550687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.550687 (E_RNA) where: Base-Base interactions energy: -2129.655 where: short stacking energy: -869.553 Base-Backbone interact. energy: -3.195 local terms energy: -877.700427 where: bonds (distance) C4'-P energy: -158.512 bonds (distance) P-C4' energy: -177.827 flat angles C4'-P-C4' energy: -193.330 flat angles P-C4'-P energy: -124.464 tors. eta vs tors. theta energy: -223.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2877.478561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.478561 (E_RNA) where: Base-Base interactions energy: -2016.004 where: short stacking energy: -870.279 Base-Backbone interact. energy: -2.689 local terms energy: -858.786064 where: bonds (distance) C4'-P energy: -159.969 bonds (distance) P-C4' energy: -165.331 flat angles C4'-P-C4' energy: -185.116 flat angles P-C4'-P energy: -121.694 tors. eta vs tors. theta energy: -226.676 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: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2814.819338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.819338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.819338 (E_RNA) where: Base-Base interactions energy: -1954.020 where: short stacking energy: -853.136 Base-Backbone interact. energy: 5.565 local terms energy: -866.364151 where: bonds (distance) C4'-P energy: -158.831 bonds (distance) P-C4' energy: -162.294 flat angles C4'-P-C4' energy: -188.916 flat angles P-C4'-P energy: -126.281 tors. eta vs tors. theta energy: -230.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2375.206190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.206190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.206190 (E_RNA) where: Base-Base interactions energy: -1632.175 where: short stacking energy: -704.644 Base-Backbone interact. energy: 0.360 local terms energy: -743.391959 where: bonds (distance) C4'-P energy: -152.721 bonds (distance) P-C4' energy: -143.601 flat angles C4'-P-C4' energy: -166.695 flat angles P-C4'-P energy: -118.078 tors. eta vs tors. theta energy: -162.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -2124.813651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2124.813651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2124.813651 (E_RNA) where: Base-Base interactions energy: -1427.112 where: short stacking energy: -657.328 Base-Backbone interact. energy: -2.306 local terms energy: -695.396064 where: bonds (distance) C4'-P energy: -152.973 bonds (distance) P-C4' energy: -157.175 flat angles C4'-P-C4' energy: -168.935 flat angles P-C4'-P energy: -74.032 tors. eta vs tors. theta energy: -142.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1881.423870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.423870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.423870 (E_RNA) where: Base-Base interactions energy: -1257.533 where: short stacking energy: -533.931 Base-Backbone interact. energy: -3.385 local terms energy: -620.505606 where: bonds (distance) C4'-P energy: -128.923 bonds (distance) P-C4' energy: -142.053 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -101.735 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: 10, replica: 9 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1731.642183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.642183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.642183 (E_RNA) where: Base-Base interactions energy: -1156.334 where: short stacking energy: -524.081 Base-Backbone interact. energy: 1.630 local terms energy: -576.938545 where: bonds (distance) C4'-P energy: -131.611 bonds (distance) P-C4' energy: -137.423 flat angles C4'-P-C4' energy: -142.293 flat angles P-C4'-P energy: -71.038 tors. eta vs tors. theta energy: -94.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3362.081441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.081441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.081441 (E_RNA) where: Base-Base interactions energy: -2362.305 where: short stacking energy: -965.566 Base-Backbone interact. energy: -0.883 local terms energy: -998.893249 where: bonds (distance) C4'-P energy: -202.803 bonds (distance) P-C4' energy: -185.586 flat angles C4'-P-C4' energy: -206.445 flat angles P-C4'-P energy: -135.992 tors. eta vs tors. theta energy: -268.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -3239.470106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.470106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.470106 (E_RNA) where: Base-Base interactions energy: -2267.160 where: short stacking energy: -952.283 Base-Backbone interact. energy: 0.598 local terms energy: -972.907863 where: bonds (distance) C4'-P energy: -195.245 bonds (distance) P-C4' energy: -174.859 flat angles C4'-P-C4' energy: -215.930 flat angles P-C4'-P energy: -145.779 tors. eta vs tors. theta energy: -241.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -3152.053533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.053533 (E_RNA) where: Base-Base interactions energy: -2206.825 where: short stacking energy: -961.798 Base-Backbone interact. energy: -3.362 local terms energy: -941.866970 where: bonds (distance) C4'-P energy: -163.505 bonds (distance) P-C4' energy: -188.262 flat angles C4'-P-C4' energy: -189.939 flat angles P-C4'-P energy: -138.828 tors. eta vs tors. theta energy: -261.334 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: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -3015.766146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.766146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.766146 (E_RNA) where: Base-Base interactions energy: -2118.418 where: short stacking energy: -870.957 Base-Backbone interact. energy: 2.715 local terms energy: -900.062470 where: bonds (distance) C4'-P energy: -165.229 bonds (distance) P-C4' energy: -167.734 flat angles C4'-P-C4' energy: -197.863 flat angles P-C4'-P energy: -129.572 tors. eta vs tors. theta energy: -239.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2902.498325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.498325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.498325 (E_RNA) where: Base-Base interactions energy: -2044.370 where: short stacking energy: -894.427 Base-Backbone interact. energy: -4.537 local terms energy: -853.591023 where: bonds (distance) C4'-P energy: -162.686 bonds (distance) P-C4' energy: -153.487 flat angles C4'-P-C4' energy: -188.124 flat angles P-C4'-P energy: -129.782 tors. eta vs tors. theta energy: -219.513 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: 213 Temperature: 1.150000 Total energy: -2780.593787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.593787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.593787 (E_RNA) where: Base-Base interactions energy: -1930.001 where: short stacking energy: -826.455 Base-Backbone interact. energy: -1.879 local terms energy: -848.713897 where: bonds (distance) C4'-P energy: -171.245 bonds (distance) P-C4' energy: -154.882 flat angles C4'-P-C4' energy: -164.329 flat angles P-C4'-P energy: -124.383 tors. eta vs tors. theta energy: -233.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2374.066723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.066723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.066723 (E_RNA) where: Base-Base interactions energy: -1641.714 where: short stacking energy: -697.499 Base-Backbone interact. energy: 4.067 local terms energy: -736.419499 where: bonds (distance) C4'-P energy: -160.553 bonds (distance) P-C4' energy: -144.046 flat angles C4'-P-C4' energy: -178.249 flat angles P-C4'-P energy: -89.102 tors. eta vs tors. theta energy: -164.470 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: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -2086.860533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.860533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.860533 (E_RNA) where: Base-Base interactions energy: -1398.937 where: short stacking energy: -599.523 Base-Backbone interact. energy: -1.558 local terms energy: -686.365551 where: bonds (distance) C4'-P energy: -145.948 bonds (distance) P-C4' energy: -144.936 flat angles C4'-P-C4' energy: -155.857 flat angles P-C4'-P energy: -107.627 tors. eta vs tors. theta energy: -131.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1912.953754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.953754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.953754 (E_RNA) where: Base-Base interactions energy: -1264.847 where: short stacking energy: -554.732 Base-Backbone interact. energy: -3.750 local terms energy: -644.357097 where: bonds (distance) C4'-P energy: -158.620 bonds (distance) P-C4' energy: -138.581 flat angles C4'-P-C4' energy: -161.434 flat angles P-C4'-P energy: -86.456 tors. eta vs tors. theta energy: -99.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1856.994739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.994739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.994739 (E_RNA) where: Base-Base interactions energy: -1261.753 where: short stacking energy: -559.000 Base-Backbone interact. energy: 6.732 local terms energy: -601.973824 where: bonds (distance) C4'-P energy: -127.400 bonds (distance) P-C4' energy: -165.545 flat angles C4'-P-C4' energy: -138.441 flat angles P-C4'-P energy: -76.925 tors. eta vs tors. theta energy: -93.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3268.801132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.801132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.801132 (E_RNA) where: Base-Base interactions energy: -2334.225 where: short stacking energy: -964.025 Base-Backbone interact. energy: -5.322 local terms energy: -929.253276 where: bonds (distance) C4'-P energy: -168.576 bonds (distance) P-C4' energy: -175.853 flat angles C4'-P-C4' energy: -199.832 flat angles P-C4'-P energy: -130.300 tors. eta vs tors. theta energy: -254.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -3219.968772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.968772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.968772 (E_RNA) where: Base-Base interactions energy: -2277.941 where: short stacking energy: -943.727 Base-Backbone interact. energy: -5.728 local terms energy: -936.300132 where: bonds (distance) C4'-P energy: -172.479 bonds (distance) P-C4' energy: -177.834 flat angles C4'-P-C4' energy: -194.594 flat angles P-C4'-P energy: -136.123 tors. eta vs tors. theta energy: -255.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -3165.583165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.583165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.583165 (E_RNA) where: Base-Base interactions energy: -2228.825 where: short stacking energy: -925.871 Base-Backbone interact. energy: -2.833 local terms energy: -933.925693 where: bonds (distance) C4'-P energy: -160.030 bonds (distance) P-C4' energy: -194.259 flat angles C4'-P-C4' energy: -195.580 flat angles P-C4'-P energy: -137.008 tors. eta vs tors. theta energy: -247.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -3009.917784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.917784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.917784 (E_RNA) where: Base-Base interactions energy: -2151.696 where: short stacking energy: -887.948 Base-Backbone interact. energy: 3.509 local terms energy: -861.730898 where: bonds (distance) C4'-P energy: -148.007 bonds (distance) P-C4' energy: -166.801 flat angles C4'-P-C4' energy: -198.949 flat angles P-C4'-P energy: -124.638 tors. eta vs tors. theta energy: -223.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2901.801939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.801939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.801939 (E_RNA) where: Base-Base interactions energy: -2046.430 where: short stacking energy: -916.613 Base-Backbone interact. energy: -2.086 local terms energy: -853.285466 where: bonds (distance) C4'-P energy: -132.625 bonds (distance) P-C4' energy: -179.454 flat angles C4'-P-C4' energy: -186.667 flat angles P-C4'-P energy: -120.018 tors. eta vs tors. theta energy: -234.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2808.954292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.954292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.954292 (E_RNA) where: Base-Base interactions energy: -1973.001 where: short stacking energy: -842.714 Base-Backbone interact. energy: 3.818 local terms energy: -839.771466 where: bonds (distance) C4'-P energy: -162.141 bonds (distance) P-C4' energy: -152.208 flat angles C4'-P-C4' energy: -179.401 flat angles P-C4'-P energy: -115.697 tors. eta vs tors. theta energy: -230.325 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: 7, replica: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2378.408536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.408536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.408536 (E_RNA) where: Base-Base interactions energy: -1623.758 where: short stacking energy: -696.527 Base-Backbone interact. energy: -3.332 local terms energy: -751.318339 where: bonds (distance) C4'-P energy: -149.057 bonds (distance) P-C4' energy: -159.423 flat angles C4'-P-C4' energy: -180.471 flat angles P-C4'-P energy: -111.539 tors. eta vs tors. theta energy: -150.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -2178.671162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.671162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.671162 (E_RNA) where: Base-Base interactions energy: -1480.288 where: short stacking energy: -651.503 Base-Backbone interact. energy: -1.572 local terms energy: -696.811661 where: bonds (distance) C4'-P energy: -157.472 bonds (distance) P-C4' energy: -141.174 flat angles C4'-P-C4' energy: -158.238 flat angles P-C4'-P energy: -95.491 tors. eta vs tors. theta energy: -144.437 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: 9 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1965.912871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.912871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.912871 (E_RNA) where: Base-Base interactions energy: -1314.830 where: short stacking energy: -601.193 Base-Backbone interact. energy: 1.053 local terms energy: -652.135645 where: bonds (distance) C4'-P energy: -137.778 bonds (distance) P-C4' energy: -167.882 flat angles C4'-P-C4' energy: -139.050 flat angles P-C4'-P energy: -106.093 tors. eta vs tors. theta energy: -101.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1776.590103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.590103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.590103 (E_RNA) where: Base-Base interactions energy: -1163.150 where: short stacking energy: -512.058 Base-Backbone interact. energy: 2.997 local terms energy: -616.437063 where: bonds (distance) C4'-P energy: -144.214 bonds (distance) P-C4' energy: -167.765 flat angles C4'-P-C4' energy: -135.839 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -95.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3348.689734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.689734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.689734 (E_RNA) where: Base-Base interactions energy: -2388.180 where: short stacking energy: -979.000 Base-Backbone interact. energy: -3.997 local terms energy: -956.513528 where: bonds (distance) C4'-P energy: -182.823 bonds (distance) P-C4' energy: -174.366 flat angles C4'-P-C4' energy: -208.225 flat angles P-C4'-P energy: -130.180 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: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -3256.713554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.713554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.713554 (E_RNA) where: Base-Base interactions energy: -2302.206 where: short stacking energy: -960.420 Base-Backbone interact. energy: -1.155 local terms energy: -953.352788 where: bonds (distance) C4'-P energy: -186.787 bonds (distance) P-C4' energy: -173.278 flat angles C4'-P-C4' energy: -212.037 flat angles P-C4'-P energy: -133.901 tors. eta vs tors. theta energy: -247.349 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: 3, replica: 4 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -3121.312195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.312195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.312195 (E_RNA) where: Base-Base interactions energy: -2206.403 where: short stacking energy: -899.971 Base-Backbone interact. energy: -6.181 local terms energy: -908.728009 where: bonds (distance) C4'-P energy: -188.669 bonds (distance) P-C4' energy: -171.084 flat angles C4'-P-C4' energy: -183.390 flat angles P-C4'-P energy: -126.677 tors. eta vs tors. theta energy: -238.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2978.963295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.963295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.963295 (E_RNA) where: Base-Base interactions energy: -2121.275 where: short stacking energy: -866.675 Base-Backbone interact. energy: -2.285 local terms energy: -855.402951 where: bonds (distance) C4'-P energy: -166.637 bonds (distance) P-C4' energy: -165.907 flat angles C4'-P-C4' energy: -192.546 flat angles P-C4'-P energy: -102.181 tors. eta vs tors. theta energy: -228.132 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: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2866.999157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.999157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.999157 (E_RNA) where: Base-Base interactions energy: -1996.271 where: short stacking energy: -868.258 Base-Backbone interact. energy: -0.212 local terms energy: -870.516389 where: bonds (distance) C4'-P energy: -158.253 bonds (distance) P-C4' energy: -168.424 flat angles C4'-P-C4' energy: -187.603 flat angles P-C4'-P energy: -128.823 tors. eta vs tors. theta energy: -227.413 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: 215 Temperature: 1.150000 Total energy: -2768.269690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.269690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.269690 (E_RNA) where: Base-Base interactions energy: -1946.650 where: short stacking energy: -826.062 Base-Backbone interact. energy: -0.614 local terms energy: -821.005271 where: bonds (distance) C4'-P energy: -138.258 bonds (distance) P-C4' energy: -169.264 flat angles C4'-P-C4' energy: -190.073 flat angles P-C4'-P energy: -115.827 tors. eta vs tors. theta energy: -207.582 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: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2432.401658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.401658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.401658 (E_RNA) where: Base-Base interactions energy: -1639.542 where: short stacking energy: -716.151 Base-Backbone interact. energy: -3.410 local terms energy: -789.450066 where: bonds (distance) C4'-P energy: -175.040 bonds (distance) P-C4' energy: -164.486 flat angles C4'-P-C4' energy: -171.848 flat angles P-C4'-P energy: -102.330 tors. eta vs tors. theta energy: -175.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -2080.504991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.504991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.504991 (E_RNA) where: Base-Base interactions energy: -1407.338 where: short stacking energy: -611.117 Base-Backbone interact. energy: 5.879 local terms energy: -679.045954 where: bonds (distance) C4'-P energy: -135.871 bonds (distance) P-C4' energy: -157.661 flat angles C4'-P-C4' energy: -170.094 flat angles P-C4'-P energy: -86.400 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: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1940.065471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.065471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.065471 (E_RNA) where: Base-Base interactions energy: -1285.105 where: short stacking energy: -570.802 Base-Backbone interact. energy: -2.841 local terms energy: -652.119473 where: bonds (distance) C4'-P energy: -147.889 bonds (distance) P-C4' energy: -142.877 flat angles C4'-P-C4' energy: -150.688 flat angles P-C4'-P energy: -97.209 tors. eta vs tors. theta energy: -113.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1763.506856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.506856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.506856 (E_RNA) where: Base-Base interactions energy: -1153.452 where: short stacking energy: -530.881 Base-Backbone interact. energy: 3.682 local terms energy: -613.737033 where: bonds (distance) C4'-P energy: -115.311 bonds (distance) P-C4' energy: -149.676 flat angles C4'-P-C4' energy: -151.097 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -103.172 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: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3297.342186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.342186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.342186 (E_RNA) where: Base-Base interactions energy: -2362.552 where: short stacking energy: -979.860 Base-Backbone interact. energy: -3.369 local terms energy: -931.421110 where: bonds (distance) C4'-P energy: -172.612 bonds (distance) P-C4' energy: -178.902 flat angles C4'-P-C4' energy: -199.587 flat angles P-C4'-P energy: -126.430 tors. eta vs tors. theta energy: -253.890 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: 5 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -3251.452686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.452686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.452686 (E_RNA) where: Base-Base interactions energy: -2306.308 where: short stacking energy: -943.425 Base-Backbone interact. energy: -1.027 local terms energy: -944.117232 where: bonds (distance) C4'-P energy: -159.730 bonds (distance) P-C4' energy: -192.031 flat angles C4'-P-C4' energy: -216.857 flat angles P-C4'-P energy: -130.613 tors. eta vs tors. theta energy: -244.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -3129.335789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.335789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.335789 (E_RNA) where: Base-Base interactions energy: -2212.100 where: short stacking energy: -914.209 Base-Backbone interact. energy: -1.823 local terms energy: -915.412946 where: bonds (distance) C4'-P energy: -173.881 bonds (distance) P-C4' energy: -188.909 flat angles C4'-P-C4' energy: -198.787 flat angles P-C4'-P energy: -127.326 tors. eta vs tors. theta energy: -226.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2988.178917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.178917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.178917 (E_RNA) where: Base-Base interactions energy: -2131.655 where: short stacking energy: -900.549 Base-Backbone interact. energy: 6.882 local terms energy: -863.406130 where: bonds (distance) C4'-P energy: -176.313 bonds (distance) P-C4' energy: -160.105 flat angles C4'-P-C4' energy: -187.176 flat angles P-C4'-P energy: -105.202 tors. eta vs tors. theta energy: -234.610 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: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2880.449997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.449997 (E_RNA) where: Base-Base interactions energy: -2026.074 where: short stacking energy: -865.421 Base-Backbone interact. energy: 7.781 local terms energy: -862.156408 where: bonds (distance) C4'-P energy: -166.166 bonds (distance) P-C4' energy: -163.648 flat angles C4'-P-C4' energy: -191.121 flat angles P-C4'-P energy: -115.820 tors. eta vs tors. theta energy: -225.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2797.830011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.830011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.830011 (E_RNA) where: Base-Base interactions energy: -1964.077 where: short stacking energy: -829.505 Base-Backbone interact. energy: -0.546 local terms energy: -833.206593 where: bonds (distance) C4'-P energy: -168.784 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -199.765 flat angles P-C4'-P energy: -100.315 tors. eta vs tors. theta energy: -226.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2403.897588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.897588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.897588 (E_RNA) where: Base-Base interactions energy: -1646.436 where: short stacking energy: -698.619 Base-Backbone interact. energy: -1.889 local terms energy: -755.572684 where: bonds (distance) C4'-P energy: -164.450 bonds (distance) P-C4' energy: -170.027 flat angles C4'-P-C4' energy: -163.097 flat angles P-C4'-P energy: -110.421 tors. eta vs tors. theta energy: -147.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -2152.725668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.725668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.725668 (E_RNA) where: Base-Base interactions energy: -1426.188 where: short stacking energy: -653.244 Base-Backbone interact. energy: 0.039 local terms energy: -726.576020 where: bonds (distance) C4'-P energy: -153.959 bonds (distance) P-C4' energy: -152.924 flat angles C4'-P-C4' energy: -158.869 flat angles P-C4'-P energy: -110.749 tors. eta vs tors. theta energy: -150.075 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: 216 Temperature: 1.300000 Total energy: -1975.424564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.424564 (E_RNA) where: Base-Base interactions energy: -1354.449 where: short stacking energy: -577.053 Base-Backbone interact. energy: 3.863 local terms energy: -624.838326 where: bonds (distance) C4'-P energy: -145.564 bonds (distance) P-C4' energy: -140.909 flat angles C4'-P-C4' energy: -145.580 flat angles P-C4'-P energy: -83.490 tors. eta vs tors. theta energy: -109.295 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: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1731.933852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.933852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.933852 (E_RNA) where: Base-Base interactions energy: -1148.146 where: short stacking energy: -506.269 Base-Backbone interact. energy: -5.020 local terms energy: -578.768548 where: bonds (distance) C4'-P energy: -134.836 bonds (distance) P-C4' energy: -151.550 flat angles C4'-P-C4' energy: -145.255 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -67.969 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: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3310.809009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.809009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.809009 (E_RNA) where: Base-Base interactions energy: -2322.850 where: short stacking energy: -976.283 Base-Backbone interact. energy: 5.804 local terms energy: -993.763566 where: bonds (distance) C4'-P energy: -193.057 bonds (distance) P-C4' energy: -189.796 flat angles C4'-P-C4' energy: -209.990 flat angles P-C4'-P energy: -141.930 tors. eta vs tors. theta energy: -258.992 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: 5 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -3261.230816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.230816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.230816 (E_RNA) where: Base-Base interactions energy: -2288.262 where: short stacking energy: -965.360 Base-Backbone interact. energy: -1.940 local terms energy: -971.029376 where: bonds (distance) C4'-P energy: -183.729 bonds (distance) P-C4' energy: -187.650 flat angles C4'-P-C4' energy: -207.093 flat angles P-C4'-P energy: -131.006 tors. eta vs tors. theta energy: -261.551 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: 4 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -3155.628445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.628445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.628445 (E_RNA) where: Base-Base interactions energy: -2251.191 where: short stacking energy: -934.707 Base-Backbone interact. energy: -0.808 local terms energy: -903.630234 where: bonds (distance) C4'-P energy: -167.948 bonds (distance) P-C4' energy: -178.562 flat angles C4'-P-C4' energy: -192.395 flat angles P-C4'-P energy: -123.508 tors. eta vs tors. theta energy: -241.218 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: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -3026.033465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.033465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.033465 (E_RNA) where: Base-Base interactions energy: -2137.171 where: short stacking energy: -893.915 Base-Backbone interact. energy: -1.215 local terms energy: -887.647572 where: bonds (distance) C4'-P energy: -168.992 bonds (distance) P-C4' energy: -165.228 flat angles C4'-P-C4' energy: -209.320 flat angles P-C4'-P energy: -117.547 tors. eta vs tors. theta energy: -226.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2914.820042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.820042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.820042 (E_RNA) where: Base-Base interactions energy: -2028.610 where: short stacking energy: -819.730 Base-Backbone interact. energy: 0.684 local terms energy: -886.893814 where: bonds (distance) C4'-P energy: -165.406 bonds (distance) P-C4' energy: -179.461 flat angles C4'-P-C4' energy: -203.521 flat angles P-C4'-P energy: -112.345 tors. eta vs tors. theta energy: -226.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2766.560067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.560067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.560067 (E_RNA) where: Base-Base interactions energy: -1927.467 where: short stacking energy: -848.957 Base-Backbone interact. energy: 9.500 local terms energy: -848.593770 where: bonds (distance) C4'-P energy: -154.924 bonds (distance) P-C4' energy: -168.370 flat angles C4'-P-C4' energy: -183.812 flat angles P-C4'-P energy: -118.440 tors. eta vs tors. theta energy: -223.047 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: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2362.964287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.964287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.964287 (E_RNA) where: Base-Base interactions energy: -1641.695 where: short stacking energy: -684.552 Base-Backbone interact. energy: -1.689 local terms energy: -719.580957 where: bonds (distance) C4'-P energy: -148.056 bonds (distance) P-C4' energy: -166.830 flat angles C4'-P-C4' energy: -141.123 flat angles P-C4'-P energy: -106.062 tors. eta vs tors. theta energy: -157.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -2156.407475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.407475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.407475 (E_RNA) where: Base-Base interactions energy: -1469.612 where: short stacking energy: -624.876 Base-Backbone interact. energy: 2.574 local terms energy: -689.369568 where: bonds (distance) C4'-P energy: -143.441 bonds (distance) P-C4' energy: -151.907 flat angles C4'-P-C4' energy: -153.600 flat angles P-C4'-P energy: -106.393 tors. eta vs tors. theta energy: -134.028 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: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -2031.729645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.729645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.729645 (E_RNA) where: Base-Base interactions energy: -1342.713 where: short stacking energy: -597.150 Base-Backbone interact. energy: 5.415 local terms energy: -694.431648 where: bonds (distance) C4'-P energy: -140.456 bonds (distance) P-C4' energy: -152.823 flat angles C4'-P-C4' energy: -161.739 flat angles P-C4'-P energy: -116.878 tors. eta vs tors. theta energy: -122.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1734.107428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.107428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.107428 (E_RNA) where: Base-Base interactions energy: -1192.603 where: short stacking energy: -516.581 Base-Backbone interact. energy: 1.171 local terms energy: -542.675753 where: bonds (distance) C4'-P energy: -111.531 bonds (distance) P-C4' energy: -135.899 flat angles C4'-P-C4' energy: -127.194 flat angles P-C4'-P energy: -85.827 tors. eta vs tors. theta energy: -82.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3263.409346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.409346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.409346 (E_RNA) where: Base-Base interactions energy: -2284.178 where: short stacking energy: -956.019 Base-Backbone interact. energy: -7.831 local terms energy: -971.400352 where: bonds (distance) C4'-P energy: -187.143 bonds (distance) P-C4' energy: -177.616 flat angles C4'-P-C4' energy: -203.127 flat angles P-C4'-P energy: -148.659 tors. eta vs tors. theta energy: -254.856 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: 218 Temperature: 0.950000 Total energy: -3241.111898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.111898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.111898 (E_RNA) where: Base-Base interactions energy: -2274.409 where: short stacking energy: -940.981 Base-Backbone interact. energy: -4.633 local terms energy: -962.070175 where: bonds (distance) C4'-P energy: -177.664 bonds (distance) P-C4' energy: -180.406 flat angles C4'-P-C4' energy: -199.564 flat angles P-C4'-P energy: -138.486 tors. eta vs tors. theta energy: -265.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -3173.576973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.576973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.576973 (E_RNA) where: Base-Base interactions energy: -2247.532 where: short stacking energy: -918.751 Base-Backbone interact. energy: -0.370 local terms energy: -925.675783 where: bonds (distance) C4'-P energy: -151.700 bonds (distance) P-C4' energy: -187.402 flat angles C4'-P-C4' energy: -204.548 flat angles P-C4'-P energy: -130.006 tors. eta vs tors. theta energy: -252.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2941.323050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.323050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.323050 (E_RNA) where: Base-Base interactions energy: -2071.260 where: short stacking energy: -817.500 Base-Backbone interact. energy: -2.665 local terms energy: -867.398660 where: bonds (distance) C4'-P energy: -179.604 bonds (distance) P-C4' energy: -172.813 flat angles C4'-P-C4' energy: -182.134 flat angles P-C4'-P energy: -111.659 tors. eta vs tors. theta energy: -221.188 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: 2 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2942.375538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.375538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.375538 (E_RNA) where: Base-Base interactions energy: -2085.509 where: short stacking energy: -886.877 Base-Backbone interact. energy: 7.142 local terms energy: -864.008280 where: bonds (distance) C4'-P energy: -155.397 bonds (distance) P-C4' energy: -157.724 flat angles C4'-P-C4' energy: -193.403 flat angles P-C4'-P energy: -117.182 tors. eta vs tors. theta energy: -240.302 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: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2727.389373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.389373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.389373 (E_RNA) where: Base-Base interactions energy: -1892.804 where: short stacking energy: -817.940 Base-Backbone interact. energy: 0.647 local terms energy: -835.232070 where: bonds (distance) C4'-P energy: -147.242 bonds (distance) P-C4' energy: -145.237 flat angles C4'-P-C4' energy: -197.597 flat angles P-C4'-P energy: -118.468 tors. eta vs tors. theta energy: -226.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2405.211953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.211953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.211953 (E_RNA) where: Base-Base interactions energy: -1661.709 where: short stacking energy: -725.444 Base-Backbone interact. energy: -4.214 local terms energy: -739.288522 where: bonds (distance) C4'-P energy: -148.742 bonds (distance) P-C4' energy: -146.615 flat angles C4'-P-C4' energy: -179.589 flat angles P-C4'-P energy: -102.244 tors. eta vs tors. theta energy: -162.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2287.498067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.498067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.498067 (E_RNA) where: Base-Base interactions energy: -1546.135 where: short stacking energy: -700.991 Base-Backbone interact. energy: -1.178 local terms energy: -740.184942 where: bonds (distance) C4'-P energy: -143.889 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -165.282 flat angles P-C4'-P energy: -112.606 tors. eta vs tors. theta energy: -160.496 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: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -2017.325709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.325709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.325709 (E_RNA) where: Base-Base interactions energy: -1335.869 where: short stacking energy: -601.788 Base-Backbone interact. energy: 7.667 local terms energy: -689.123592 where: bonds (distance) C4'-P energy: -153.567 bonds (distance) P-C4' energy: -158.756 flat angles C4'-P-C4' energy: -167.662 flat angles P-C4'-P energy: -76.195 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: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1730.234218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.234218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.234218 (E_RNA) where: Base-Base interactions energy: -1120.594 where: short stacking energy: -477.485 Base-Backbone interact. energy: 2.135 local terms energy: -611.776115 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -145.285 flat angles C4'-P-C4' energy: -149.554 flat angles P-C4'-P energy: -101.779 tors. eta vs tors. theta energy: -75.626 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: 8 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3316.258793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3316.258793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3316.258793 (E_RNA) where: Base-Base interactions energy: -2310.243 where: short stacking energy: -975.324 Base-Backbone interact. energy: -4.115 local terms energy: -1001.900917 where: bonds (distance) C4'-P energy: -186.294 bonds (distance) P-C4' energy: -208.300 flat angles C4'-P-C4' energy: -204.123 flat angles P-C4'-P energy: -133.261 tors. eta vs tors. theta energy: -269.923 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: 5 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -3225.584584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.584584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.584584 (E_RNA) where: Base-Base interactions energy: -2256.124 where: short stacking energy: -929.857 Base-Backbone interact. energy: 1.807 local terms energy: -971.268009 where: bonds (distance) C4'-P energy: -186.207 bonds (distance) P-C4' energy: -200.498 flat angles C4'-P-C4' energy: -207.251 flat angles P-C4'-P energy: -136.177 tors. eta vs tors. theta energy: -241.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -3127.048043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.048043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.048043 (E_RNA) where: Base-Base interactions energy: -2218.256 where: short stacking energy: -908.639 Base-Backbone interact. energy: -3.769 local terms energy: -905.022447 where: bonds (distance) C4'-P energy: -177.910 bonds (distance) P-C4' energy: -179.374 flat angles C4'-P-C4' energy: -184.655 flat angles P-C4'-P energy: -119.328 tors. eta vs tors. theta energy: -243.755 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: 6 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -3000.753579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.753579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.753579 (E_RNA) where: Base-Base interactions energy: -2119.629 where: short stacking energy: -876.573 Base-Backbone interact. energy: -4.005 local terms energy: -877.119083 where: bonds (distance) C4'-P energy: -159.200 bonds (distance) P-C4' energy: -175.270 flat angles C4'-P-C4' energy: -179.370 flat angles P-C4'-P energy: -139.067 tors. eta vs tors. theta energy: -224.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2916.214457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.214457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.214457 (E_RNA) where: Base-Base interactions energy: -2064.054 where: short stacking energy: -870.771 Base-Backbone interact. energy: -3.472 local terms energy: -848.688645 where: bonds (distance) C4'-P energy: -143.345 bonds (distance) P-C4' energy: -183.532 flat angles C4'-P-C4' energy: -187.869 flat angles P-C4'-P energy: -113.468 tors. eta vs tors. theta energy: -220.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2730.378856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.378856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.378856 (E_RNA) where: Base-Base interactions energy: -1883.636 where: short stacking energy: -834.277 Base-Backbone interact. energy: -2.090 local terms energy: -844.652714 where: bonds (distance) C4'-P energy: -153.502 bonds (distance) P-C4' energy: -165.027 flat angles C4'-P-C4' energy: -184.563 flat angles P-C4'-P energy: -109.917 tors. eta vs tors. theta energy: -231.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2457.997569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.997569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.997569 (E_RNA) where: Base-Base interactions energy: -1696.326 where: short stacking energy: -710.855 Base-Backbone interact. energy: -6.964 local terms energy: -754.707617 where: bonds (distance) C4'-P energy: -111.291 bonds (distance) P-C4' energy: -178.052 flat angles C4'-P-C4' energy: -167.107 flat angles P-C4'-P energy: -122.566 tors. eta vs tors. theta energy: -175.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -2211.545582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2211.545582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2211.545582 (E_RNA) where: Base-Base interactions energy: -1536.269 where: short stacking energy: -635.812 Base-Backbone interact. energy: 0.907 local terms energy: -676.183192 where: bonds (distance) C4'-P energy: -144.241 bonds (distance) P-C4' energy: -158.185 flat angles C4'-P-C4' energy: -147.197 flat angles P-C4'-P energy: -88.942 tors. eta vs tors. theta energy: -137.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1971.808084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.808084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.808084 (E_RNA) where: Base-Base interactions energy: -1289.350 where: short stacking energy: -577.896 Base-Backbone interact. energy: -2.892 local terms energy: -679.566485 where: bonds (distance) C4'-P energy: -133.264 bonds (distance) P-C4' energy: -155.532 flat angles C4'-P-C4' energy: -164.401 flat angles P-C4'-P energy: -100.435 tors. eta vs tors. theta energy: -125.934 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: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1705.812798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.812798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.812798 (E_RNA) where: Base-Base interactions energy: -1133.802 where: short stacking energy: -482.175 Base-Backbone interact. energy: 1.965 local terms energy: -573.975551 where: bonds (distance) C4'-P energy: -144.624 bonds (distance) P-C4' energy: -125.157 flat angles C4'-P-C4' energy: -136.989 flat angles P-C4'-P energy: -89.090 tors. eta vs tors. theta energy: -78.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3326.521784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.521784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.521784 (E_RNA) where: Base-Base interactions energy: -2356.374 where: short stacking energy: -982.926 Base-Backbone interact. energy: -4.448 local terms energy: -965.699606 where: bonds (distance) C4'-P energy: -181.576 bonds (distance) P-C4' energy: -199.092 flat angles C4'-P-C4' energy: -190.106 flat angles P-C4'-P energy: -133.041 tors. eta vs tors. theta energy: -261.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -3252.682183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.682183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.682183 (E_RNA) where: Base-Base interactions energy: -2294.137 where: short stacking energy: -947.748 Base-Backbone interact. energy: -4.732 local terms energy: -953.812890 where: bonds (distance) C4'-P energy: -170.802 bonds (distance) P-C4' energy: -188.172 flat angles C4'-P-C4' energy: -190.498 flat angles P-C4'-P energy: -142.225 tors. eta vs tors. theta energy: -262.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -3168.170537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.170537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.170537 (E_RNA) where: Base-Base interactions energy: -2250.996 where: short stacking energy: -917.279 Base-Backbone interact. energy: -3.915 local terms energy: -913.259322 where: bonds (distance) C4'-P energy: -177.009 bonds (distance) P-C4' energy: -176.556 flat angles C4'-P-C4' energy: -203.363 flat angles P-C4'-P energy: -105.771 tors. eta vs tors. theta energy: -250.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -3013.055087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.055087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.055087 (E_RNA) where: Base-Base interactions energy: -2149.741 where: short stacking energy: -843.398 Base-Backbone interact. energy: 0.636 local terms energy: -863.950716 where: bonds (distance) C4'-P energy: -161.131 bonds (distance) P-C4' energy: -159.971 flat angles C4'-P-C4' energy: -192.750 flat angles P-C4'-P energy: -116.212 tors. eta vs tors. theta energy: -233.887 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: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2929.597153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.597153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.597153 (E_RNA) where: Base-Base interactions energy: -2025.368 where: short stacking energy: -871.179 Base-Backbone interact. energy: 1.774 local terms energy: -906.003087 where: bonds (distance) C4'-P energy: -153.729 bonds (distance) P-C4' energy: -177.823 flat angles C4'-P-C4' energy: -198.955 flat angles P-C4'-P energy: -125.959 tors. eta vs tors. theta energy: -249.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2756.044227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.044227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.044227 (E_RNA) where: Base-Base interactions energy: -1910.423 where: short stacking energy: -811.828 Base-Backbone interact. energy: -2.537 local terms energy: -843.083723 where: bonds (distance) C4'-P energy: -160.602 bonds (distance) P-C4' energy: -163.393 flat angles C4'-P-C4' energy: -180.402 flat angles P-C4'-P energy: -125.663 tors. eta vs tors. theta energy: -213.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2489.260442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.260442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.260442 (E_RNA) where: Base-Base interactions energy: -1744.719 where: short stacking energy: -747.715 Base-Backbone interact. energy: 1.798 local terms energy: -746.339206 where: bonds (distance) C4'-P energy: -132.015 bonds (distance) P-C4' energy: -162.757 flat angles C4'-P-C4' energy: -175.988 flat angles P-C4'-P energy: -106.330 tors. eta vs tors. theta energy: -169.249 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: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -2213.228334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.228334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.228334 (E_RNA) where: Base-Base interactions energy: -1510.643 where: short stacking energy: -650.016 Base-Backbone interact. energy: 1.199 local terms energy: -703.784205 where: bonds (distance) C4'-P energy: -139.954 bonds (distance) P-C4' energy: -149.358 flat angles C4'-P-C4' energy: -171.058 flat angles P-C4'-P energy: -109.231 tors. eta vs tors. theta energy: -134.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1970.434830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.434830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.434830 (E_RNA) where: Base-Base interactions energy: -1278.866 where: short stacking energy: -598.341 Base-Backbone interact. energy: -2.270 local terms energy: -689.299132 where: bonds (distance) C4'-P energy: -158.034 bonds (distance) P-C4' energy: -151.052 flat angles C4'-P-C4' energy: -175.347 flat angles P-C4'-P energy: -95.261 tors. eta vs tors. theta energy: -109.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1704.847149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.847149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.847149 (E_RNA) where: Base-Base interactions energy: -1128.745 where: short stacking energy: -491.835 Base-Backbone interact. energy: -2.122 local terms energy: -573.980770 where: bonds (distance) C4'-P energy: -155.453 bonds (distance) P-C4' energy: -134.223 flat angles C4'-P-C4' energy: -126.584 flat angles P-C4'-P energy: -100.685 tors. eta vs tors. theta energy: -57.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3294.320345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.320345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.320345 (E_RNA) where: Base-Base interactions energy: -2332.076 where: short stacking energy: -941.617 Base-Backbone interact. energy: 0.775 local terms energy: -963.019712 where: bonds (distance) C4'-P energy: -177.699 bonds (distance) P-C4' energy: -189.560 flat angles C4'-P-C4' energy: -203.741 flat angles P-C4'-P energy: -136.131 tors. eta vs tors. theta energy: -255.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -3214.060845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.060845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.060845 (E_RNA) where: Base-Base interactions energy: -2262.972 where: short stacking energy: -952.310 Base-Backbone interact. energy: 1.025 local terms energy: -952.113865 where: bonds (distance) C4'-P energy: -181.253 bonds (distance) P-C4' energy: -173.412 flat angles C4'-P-C4' energy: -203.463 flat angles P-C4'-P energy: -144.631 tors. eta vs tors. theta energy: -249.355 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: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -3168.666881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.666881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.666881 (E_RNA) where: Base-Base interactions energy: -2239.405 where: short stacking energy: -933.406 Base-Backbone interact. energy: 3.827 local terms energy: -933.088263 where: bonds (distance) C4'-P energy: -172.804 bonds (distance) P-C4' energy: -183.216 flat angles C4'-P-C4' energy: -198.865 flat angles P-C4'-P energy: -137.170 tors. eta vs tors. theta energy: -241.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -3007.622473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.622473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.622473 (E_RNA) where: Base-Base interactions energy: -2136.984 where: short stacking energy: -861.035 Base-Backbone interact. energy: -6.778 local terms energy: -863.860303 where: bonds (distance) C4'-P energy: -161.734 bonds (distance) P-C4' energy: -159.489 flat angles C4'-P-C4' energy: -189.152 flat angles P-C4'-P energy: -126.330 tors. eta vs tors. theta energy: -227.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2883.299992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.299992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.299992 (E_RNA) where: Base-Base interactions energy: -2001.190 where: short stacking energy: -875.787 Base-Backbone interact. energy: -0.740 local terms energy: -881.370039 where: bonds (distance) C4'-P energy: -169.440 bonds (distance) P-C4' energy: -159.488 flat angles C4'-P-C4' energy: -190.028 flat angles P-C4'-P energy: -124.212 tors. eta vs tors. theta energy: -238.202 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: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2706.278333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.278333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.278333 (E_RNA) where: Base-Base interactions energy: -1889.350 where: short stacking energy: -807.761 Base-Backbone interact. energy: -5.994 local terms energy: -810.934464 where: bonds (distance) C4'-P energy: -146.743 bonds (distance) P-C4' energy: -157.288 flat angles C4'-P-C4' energy: -182.311 flat angles P-C4'-P energy: -119.700 tors. eta vs tors. theta energy: -204.893 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: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2464.897230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.897230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.897230 (E_RNA) where: Base-Base interactions energy: -1702.416 where: short stacking energy: -727.957 Base-Backbone interact. energy: -0.016 local terms energy: -762.464928 where: bonds (distance) C4'-P energy: -150.070 bonds (distance) P-C4' energy: -165.890 flat angles C4'-P-C4' energy: -166.012 flat angles P-C4'-P energy: -117.728 tors. eta vs tors. theta energy: -162.765 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: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2260.676467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.676467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.676467 (E_RNA) where: Base-Base interactions energy: -1512.306 where: short stacking energy: -649.801 Base-Backbone interact. energy: -4.307 local terms energy: -744.063940 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -168.183 flat angles C4'-P-C4' energy: -192.404 flat angles P-C4'-P energy: -92.640 tors. eta vs tors. theta energy: -146.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1893.538490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.538490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.538490 (E_RNA) where: Base-Base interactions energy: -1275.947 where: short stacking energy: -599.762 Base-Backbone interact. energy: 3.582 local terms energy: -621.173575 where: bonds (distance) C4'-P energy: -110.826 bonds (distance) P-C4' energy: -148.826 flat angles C4'-P-C4' energy: -163.430 flat angles P-C4'-P energy: -80.670 tors. eta vs tors. theta energy: -117.422 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: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1710.143626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.143626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.143626 (E_RNA) where: Base-Base interactions energy: -1114.709 where: short stacking energy: -494.799 Base-Backbone interact. energy: -3.182 local terms energy: -592.253392 where: bonds (distance) C4'-P energy: -135.561 bonds (distance) P-C4' energy: -136.377 flat angles C4'-P-C4' energy: -122.633 flat angles P-C4'-P energy: -112.769 tors. eta vs tors. theta energy: -84.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3309.819177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.819177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.819177 (E_RNA) where: Base-Base interactions energy: -2342.359 where: short stacking energy: -982.669 Base-Backbone interact. energy: 9.958 local terms energy: -977.418277 where: bonds (distance) C4'-P energy: -183.422 bonds (distance) P-C4' energy: -182.752 flat angles C4'-P-C4' energy: -220.359 flat angles P-C4'-P energy: -133.809 tors. eta vs tors. theta energy: -257.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -3201.760321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.760321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.760321 (E_RNA) where: Base-Base interactions energy: -2274.645 where: short stacking energy: -937.932 Base-Backbone interact. energy: 2.821 local terms energy: -929.937069 where: bonds (distance) C4'-P energy: -173.431 bonds (distance) P-C4' energy: -188.843 flat angles C4'-P-C4' energy: -202.108 flat angles P-C4'-P energy: -118.913 tors. eta vs tors. theta energy: -246.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -3160.912867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.912867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.912867 (E_RNA) where: Base-Base interactions energy: -2229.135 where: short stacking energy: -951.742 Base-Backbone interact. energy: 3.523 local terms energy: -935.301182 where: bonds (distance) C4'-P energy: -183.066 bonds (distance) P-C4' energy: -174.963 flat angles C4'-P-C4' energy: -201.479 flat angles P-C4'-P energy: -121.761 tors. eta vs tors. theta energy: -254.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -3026.496160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.496160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.496160 (E_RNA) where: Base-Base interactions energy: -2133.983 where: short stacking energy: -859.475 Base-Backbone interact. energy: -5.183 local terms energy: -887.330700 where: bonds (distance) C4'-P energy: -188.495 bonds (distance) P-C4' energy: -168.803 flat angles C4'-P-C4' energy: -185.227 flat angles P-C4'-P energy: -114.000 tors. eta vs tors. theta energy: -230.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2897.717995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.717995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.717995 (E_RNA) where: Base-Base interactions energy: -2051.518 where: short stacking energy: -875.095 Base-Backbone interact. energy: -0.231 local terms energy: -845.969582 where: bonds (distance) C4'-P energy: -136.770 bonds (distance) P-C4' energy: -169.025 flat angles C4'-P-C4' energy: -186.825 flat angles P-C4'-P energy: -115.367 tors. eta vs tors. theta energy: -237.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2773.331117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.331117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.331117 (E_RNA) where: Base-Base interactions energy: -1950.614 where: short stacking energy: -893.708 Base-Backbone interact. energy: -1.615 local terms energy: -821.101970 where: bonds (distance) C4'-P energy: -149.784 bonds (distance) P-C4' energy: -135.210 flat angles C4'-P-C4' energy: -187.477 flat angles P-C4'-P energy: -115.971 tors. eta vs tors. theta energy: -232.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2485.562351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.562351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.562351 (E_RNA) where: Base-Base interactions energy: -1701.498 where: short stacking energy: -741.646 Base-Backbone interact. energy: -0.930 local terms energy: -783.134935 where: bonds (distance) C4'-P energy: -161.169 bonds (distance) P-C4' energy: -177.882 flat angles C4'-P-C4' energy: -158.944 flat angles P-C4'-P energy: -97.250 tors. eta vs tors. theta energy: -187.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -2235.459857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.459857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.459857 (E_RNA) where: Base-Base interactions energy: -1530.763 where: short stacking energy: -683.556 Base-Backbone interact. energy: 1.342 local terms energy: -706.038428 where: bonds (distance) C4'-P energy: -138.024 bonds (distance) P-C4' energy: -153.153 flat angles C4'-P-C4' energy: -156.270 flat angles P-C4'-P energy: -103.345 tors. eta vs tors. theta energy: -155.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1884.369229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.369229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.369229 (E_RNA) where: Base-Base interactions energy: -1241.285 where: short stacking energy: -575.790 Base-Backbone interact. energy: -4.519 local terms energy: -638.565151 where: bonds (distance) C4'-P energy: -145.397 bonds (distance) P-C4' energy: -137.060 flat angles C4'-P-C4' energy: -155.728 flat angles P-C4'-P energy: -101.841 tors. eta vs tors. theta energy: -98.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1660.857396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.857396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.857396 (E_RNA) where: Base-Base interactions energy: -1036.075 where: short stacking energy: -480.264 Base-Backbone interact. energy: 1.223 local terms energy: -626.005646 where: bonds (distance) C4'-P energy: -118.007 bonds (distance) P-C4' energy: -156.369 flat angles C4'-P-C4' energy: -154.187 flat angles P-C4'-P energy: -93.581 tors. eta vs tors. theta energy: -103.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3298.888142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.888142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.888142 (E_RNA) where: Base-Base interactions energy: -2346.364 where: short stacking energy: -979.669 Base-Backbone interact. energy: -2.938 local terms energy: -949.586611 where: bonds (distance) C4'-P energy: -183.463 bonds (distance) P-C4' energy: -173.581 flat angles C4'-P-C4' energy: -202.504 flat angles P-C4'-P energy: -131.806 tors. eta vs tors. theta energy: -258.234 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: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -3210.661861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.661861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.661861 (E_RNA) where: Base-Base interactions energy: -2270.849 where: short stacking energy: -962.976 Base-Backbone interact. energy: -3.616 local terms energy: -936.196381 where: bonds (distance) C4'-P energy: -179.874 bonds (distance) P-C4' energy: -186.921 flat angles C4'-P-C4' energy: -193.353 flat angles P-C4'-P energy: -123.853 tors. eta vs tors. theta energy: -252.195 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: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -3137.140887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.140887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.140887 (E_RNA) where: Base-Base interactions energy: -2212.302 where: short stacking energy: -912.474 Base-Backbone interact. energy: -1.485 local terms energy: -923.354437 where: bonds (distance) C4'-P energy: -181.910 bonds (distance) P-C4' energy: -170.606 flat angles C4'-P-C4' energy: -200.477 flat angles P-C4'-P energy: -128.426 tors. eta vs tors. theta energy: -241.935 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: 4, replica: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -3036.098356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.098356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.098356 (E_RNA) where: Base-Base interactions energy: -2148.238 where: short stacking energy: -868.143 Base-Backbone interact. energy: -1.853 local terms energy: -886.007141 where: bonds (distance) C4'-P energy: -168.759 bonds (distance) P-C4' energy: -175.748 flat angles C4'-P-C4' energy: -192.549 flat angles P-C4'-P energy: -115.152 tors. eta vs tors. theta energy: -233.799 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: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2944.590207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.590207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.590207 (E_RNA) where: Base-Base interactions energy: -2056.182 where: short stacking energy: -885.793 Base-Backbone interact. energy: -4.655 local terms energy: -883.752742 where: bonds (distance) C4'-P energy: -156.759 bonds (distance) P-C4' energy: -176.240 flat angles C4'-P-C4' energy: -186.340 flat angles P-C4'-P energy: -121.272 tors. eta vs tors. theta energy: -243.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -2723.783391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.783391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.783391 (E_RNA) where: Base-Base interactions energy: -1913.740 where: short stacking energy: -830.467 Base-Backbone interact. energy: -4.998 local terms energy: -805.045159 where: bonds (distance) C4'-P energy: -150.448 bonds (distance) P-C4' energy: -139.881 flat angles C4'-P-C4' energy: -184.932 flat angles P-C4'-P energy: -112.264 tors. eta vs tors. theta energy: -217.520 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: 223 Temperature: 1.200000 Total energy: -2567.236884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.236884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.236884 (E_RNA) where: Base-Base interactions energy: -1775.000 where: short stacking energy: -769.147 Base-Backbone interact. energy: -3.019 local terms energy: -789.217056 where: bonds (distance) C4'-P energy: -154.411 bonds (distance) P-C4' energy: -159.627 flat angles C4'-P-C4' energy: -160.423 flat angles P-C4'-P energy: -98.871 tors. eta vs tors. theta energy: -215.885 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2207.810714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.810714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.810714 (E_RNA) where: Base-Base interactions energy: -1527.183 where: short stacking energy: -673.483 Base-Backbone interact. energy: 2.059 local terms energy: -682.685954 where: bonds (distance) C4'-P energy: -154.076 bonds (distance) P-C4' energy: -148.642 flat angles C4'-P-C4' energy: -165.870 flat angles P-C4'-P energy: -85.075 tors. eta vs tors. theta energy: -129.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1906.812933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.812933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.812933 (E_RNA) where: Base-Base interactions energy: -1269.080 where: short stacking energy: -583.494 Base-Backbone interact. energy: -0.044 local terms energy: -637.689243 where: bonds (distance) C4'-P energy: -118.401 bonds (distance) P-C4' energy: -155.058 flat angles C4'-P-C4' energy: -157.025 flat angles P-C4'-P energy: -93.535 tors. eta vs tors. theta energy: -113.671 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: 223 Temperature: 1.350000 Total energy: -1671.204643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.204643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.204643 (E_RNA) where: Base-Base interactions energy: -1048.406 where: short stacking energy: -467.640 Base-Backbone interact. energy: 4.041 local terms energy: -626.839865 where: bonds (distance) C4'-P energy: -163.831 bonds (distance) P-C4' energy: -162.084 flat angles C4'-P-C4' energy: -148.796 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -69.757 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: 5 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3326.030765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.030765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.030765 (E_RNA) where: Base-Base interactions energy: -2354.809 where: short stacking energy: -981.437 Base-Backbone interact. energy: -1.697 local terms energy: -969.524383 where: bonds (distance) C4'-P energy: -192.043 bonds (distance) P-C4' energy: -180.851 flat angles C4'-P-C4' energy: -213.800 flat angles P-C4'-P energy: -129.726 tors. eta vs tors. theta energy: -253.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -3216.179423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.179423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.179423 (E_RNA) where: Base-Base interactions energy: -2282.160 where: short stacking energy: -928.293 Base-Backbone interact. energy: 5.125 local terms energy: -939.144826 where: bonds (distance) C4'-P energy: -164.199 bonds (distance) P-C4' energy: -197.400 flat angles C4'-P-C4' energy: -209.710 flat angles P-C4'-P energy: -121.233 tors. eta vs tors. theta energy: -246.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -3153.718215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.718215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.718215 (E_RNA) where: Base-Base interactions energy: -2259.436 where: short stacking energy: -923.284 Base-Backbone interact. energy: 1.483 local terms energy: -895.765348 where: bonds (distance) C4'-P energy: -165.306 bonds (distance) P-C4' energy: -169.063 flat angles C4'-P-C4' energy: -195.603 flat angles P-C4'-P energy: -117.371 tors. eta vs tors. theta energy: -248.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -3022.418868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.418868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.418868 (E_RNA) where: Base-Base interactions energy: -2116.203 where: short stacking energy: -852.429 Base-Backbone interact. energy: -2.021 local terms energy: -904.194461 where: bonds (distance) C4'-P energy: -178.671 bonds (distance) P-C4' energy: -177.977 flat angles C4'-P-C4' energy: -199.021 flat angles P-C4'-P energy: -120.256 tors. eta vs tors. theta energy: -228.270 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: 2 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2891.477937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.477937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.477937 (E_RNA) where: Base-Base interactions energy: -2010.913 where: short stacking energy: -900.513 Base-Backbone interact. energy: -2.877 local terms energy: -877.687505 where: bonds (distance) C4'-P energy: -156.358 bonds (distance) P-C4' energy: -164.003 flat angles C4'-P-C4' energy: -189.780 flat angles P-C4'-P energy: -127.434 tors. eta vs tors. theta energy: -240.114 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: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2791.919841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.919841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.919841 (E_RNA) where: Base-Base interactions energy: -1963.132 where: short stacking energy: -867.007 Base-Backbone interact. energy: -0.230 local terms energy: -828.557730 where: bonds (distance) C4'-P energy: -147.591 bonds (distance) P-C4' energy: -157.430 flat angles C4'-P-C4' energy: -176.796 flat angles P-C4'-P energy: -116.819 tors. eta vs tors. theta energy: -229.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2477.623420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.623420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.623420 (E_RNA) where: Base-Base interactions energy: -1754.421 where: short stacking energy: -742.936 Base-Backbone interact. energy: 2.732 local terms energy: -725.934140 where: bonds (distance) C4'-P energy: -135.164 bonds (distance) P-C4' energy: -178.939 flat angles C4'-P-C4' energy: -154.871 flat angles P-C4'-P energy: -87.295 tors. eta vs tors. theta energy: -169.665 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: 8, replica: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -2201.017525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.017525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.017525 (E_RNA) where: Base-Base interactions energy: -1483.731 where: short stacking energy: -686.093 Base-Backbone interact. energy: -1.158 local terms energy: -716.128460 where: bonds (distance) C4'-P energy: -149.852 bonds (distance) P-C4' energy: -150.570 flat angles C4'-P-C4' energy: -163.114 flat angles P-C4'-P energy: -103.532 tors. eta vs tors. theta energy: -149.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1944.140758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.140758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.140758 (E_RNA) where: Base-Base interactions energy: -1317.235 where: short stacking energy: -574.296 Base-Backbone interact. energy: -1.660 local terms energy: -625.245485 where: bonds (distance) C4'-P energy: -130.389 bonds (distance) P-C4' energy: -142.769 flat angles C4'-P-C4' energy: -145.050 flat angles P-C4'-P energy: -97.741 tors. eta vs tors. theta energy: -109.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1637.068019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.068019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.068019 (E_RNA) where: Base-Base interactions energy: -1086.512 where: short stacking energy: -489.726 Base-Backbone interact. energy: -1.678 local terms energy: -548.877847 where: bonds (distance) C4'-P energy: -112.782 bonds (distance) P-C4' energy: -163.737 flat angles C4'-P-C4' energy: -127.940 flat angles P-C4'-P energy: -75.502 tors. eta vs tors. theta energy: -68.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3357.564350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.564350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.564350 (E_RNA) where: Base-Base interactions energy: -2350.236 where: short stacking energy: -977.936 Base-Backbone interact. energy: -3.648 local terms energy: -1003.681018 where: bonds (distance) C4'-P energy: -190.782 bonds (distance) P-C4' energy: -192.379 flat angles C4'-P-C4' energy: -217.081 flat angles P-C4'-P energy: -139.426 tors. eta vs tors. theta energy: -264.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -3273.331425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.331425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.331425 (E_RNA) where: Base-Base interactions energy: -2333.313 where: short stacking energy: -929.439 Base-Backbone interact. energy: -1.620 local terms energy: -938.398848 where: bonds (distance) C4'-P energy: -183.160 bonds (distance) P-C4' energy: -173.390 flat angles C4'-P-C4' energy: -197.868 flat angles P-C4'-P energy: -130.522 tors. eta vs tors. theta energy: -253.459 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: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -3145.226269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.226269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.226269 (E_RNA) where: Base-Base interactions energy: -2227.245 where: short stacking energy: -897.184 Base-Backbone interact. energy: -1.210 local terms energy: -916.771797 where: bonds (distance) C4'-P energy: -168.167 bonds (distance) P-C4' energy: -163.849 flat angles C4'-P-C4' energy: -201.914 flat angles P-C4'-P energy: -133.999 tors. eta vs tors. theta energy: -248.843 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: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -3043.957196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.957196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.957196 (E_RNA) where: Base-Base interactions energy: -2100.316 where: short stacking energy: -884.672 Base-Backbone interact. energy: -6.866 local terms energy: -936.775031 where: bonds (distance) C4'-P energy: -173.547 bonds (distance) P-C4' energy: -185.457 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -147.201 tors. eta vs tors. theta energy: -241.482 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: 2 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2898.803896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.803896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.803896 (E_RNA) where: Base-Base interactions energy: -2002.863 where: short stacking energy: -874.343 Base-Backbone interact. energy: -4.120 local terms energy: -891.820660 where: bonds (distance) C4'-P energy: -163.116 bonds (distance) P-C4' energy: -161.768 flat angles C4'-P-C4' energy: -204.765 flat angles P-C4'-P energy: -129.093 tors. eta vs tors. theta energy: -233.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2806.856390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.856390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.856390 (E_RNA) where: Base-Base interactions energy: -1918.082 where: short stacking energy: -857.725 Base-Backbone interact. energy: -1.034 local terms energy: -887.740722 where: bonds (distance) C4'-P energy: -153.785 bonds (distance) P-C4' energy: -179.155 flat angles C4'-P-C4' energy: -182.558 flat angles P-C4'-P energy: -134.442 tors. eta vs tors. theta energy: -237.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2488.136745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.136745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.136745 (E_RNA) where: Base-Base interactions energy: -1739.008 where: short stacking energy: -770.482 Base-Backbone interact. energy: -4.839 local terms energy: -744.289271 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -152.613 flat angles C4'-P-C4' energy: -174.307 flat angles P-C4'-P energy: -105.435 tors. eta vs tors. theta energy: -178.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -2223.587507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.587507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.587507 (E_RNA) where: Base-Base interactions energy: -1516.408 where: short stacking energy: -662.791 Base-Backbone interact. energy: -1.964 local terms energy: -705.216320 where: bonds (distance) C4'-P energy: -149.895 bonds (distance) P-C4' energy: -139.731 flat angles C4'-P-C4' energy: -172.346 flat angles P-C4'-P energy: -108.798 tors. eta vs tors. theta energy: -134.447 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: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1935.534578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.534578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.534578 (E_RNA) where: Base-Base interactions energy: -1306.478 where: short stacking energy: -585.272 Base-Backbone interact. energy: -1.235 local terms energy: -627.821890 where: bonds (distance) C4'-P energy: -125.327 bonds (distance) P-C4' energy: -144.908 flat angles C4'-P-C4' energy: -140.426 flat angles P-C4'-P energy: -111.991 tors. eta vs tors. theta energy: -105.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1625.196564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.196564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.196564 (E_RNA) where: Base-Base interactions energy: -1048.371 where: short stacking energy: -453.782 Base-Backbone interact. energy: 2.847 local terms energy: -579.672906 where: bonds (distance) C4'-P energy: -139.370 bonds (distance) P-C4' energy: -148.009 flat angles C4'-P-C4' energy: -155.810 flat angles P-C4'-P energy: -84.990 tors. eta vs tors. theta energy: -51.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3317.156148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.156148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.156148 (E_RNA) where: Base-Base interactions energy: -2373.731 where: short stacking energy: -985.879 Base-Backbone interact. energy: -3.359 local terms energy: -940.065437 where: bonds (distance) C4'-P energy: -163.196 bonds (distance) P-C4' energy: -178.027 flat angles C4'-P-C4' energy: -215.070 flat angles P-C4'-P energy: -122.463 tors. eta vs tors. theta energy: -261.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -3259.883525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.883525 (E_RNA) where: Base-Base interactions energy: -2320.660 where: short stacking energy: -949.691 Base-Backbone interact. energy: -3.482 local terms energy: -935.742157 where: bonds (distance) C4'-P energy: -175.550 bonds (distance) P-C4' energy: -183.260 flat angles C4'-P-C4' energy: -192.876 flat angles P-C4'-P energy: -119.894 tors. eta vs tors. theta energy: -264.161 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: 3, replica: 8 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -3156.516055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.516055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.516055 (E_RNA) where: Base-Base interactions energy: -2240.977 where: short stacking energy: -926.312 Base-Backbone interact. energy: -5.036 local terms energy: -910.502400 where: bonds (distance) C4'-P energy: -171.801 bonds (distance) P-C4' energy: -165.614 flat angles C4'-P-C4' energy: -203.004 flat angles P-C4'-P energy: -118.212 tors. eta vs tors. theta energy: -251.871 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: 226 Temperature: 1.050000 Total energy: -3052.721059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.721059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.721059 (E_RNA) where: Base-Base interactions energy: -2156.941 where: short stacking energy: -883.089 Base-Backbone interact. energy: -4.497 local terms energy: -891.283532 where: bonds (distance) C4'-P energy: -173.361 bonds (distance) P-C4' energy: -172.707 flat angles C4'-P-C4' energy: -195.234 flat angles P-C4'-P energy: -109.223 tors. eta vs tors. theta energy: -240.759 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2983.397424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.397424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.397424 (E_RNA) where: Base-Base interactions energy: -2108.515 where: short stacking energy: -883.336 Base-Backbone interact. energy: -2.688 local terms energy: -872.194349 where: bonds (distance) C4'-P energy: -160.460 bonds (distance) P-C4' energy: -154.712 flat angles C4'-P-C4' energy: -184.789 flat angles P-C4'-P energy: -126.672 tors. eta vs tors. theta energy: -245.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2695.881080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.881080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.881080 (E_RNA) where: Base-Base interactions energy: -1872.493 where: short stacking energy: -812.627 Base-Backbone interact. energy: -2.278 local terms energy: -821.109973 where: bonds (distance) C4'-P energy: -153.029 bonds (distance) P-C4' energy: -165.421 flat angles C4'-P-C4' energy: -174.929 flat angles P-C4'-P energy: -105.958 tors. eta vs tors. theta energy: -221.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2518.781789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.781789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.781789 (E_RNA) where: Base-Base interactions energy: -1769.544 where: short stacking energy: -750.692 Base-Backbone interact. energy: -3.500 local terms energy: -745.737742 where: bonds (distance) C4'-P energy: -130.389 bonds (distance) P-C4' energy: -134.157 flat angles C4'-P-C4' energy: -187.914 flat angles P-C4'-P energy: -123.150 tors. eta vs tors. theta energy: -170.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2267.290304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.290304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.290304 (E_RNA) where: Base-Base interactions energy: -1588.435 where: short stacking energy: -700.122 Base-Backbone interact. energy: 5.525 local terms energy: -684.379660 where: bonds (distance) C4'-P energy: -119.479 bonds (distance) P-C4' energy: -163.414 flat angles C4'-P-C4' energy: -151.688 flat angles P-C4'-P energy: -104.449 tors. eta vs tors. theta energy: -145.349 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: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -2005.259552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.259552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.259552 (E_RNA) where: Base-Base interactions energy: -1342.804 where: short stacking energy: -606.778 Base-Backbone interact. energy: -1.606 local terms energy: -660.848745 where: bonds (distance) C4'-P energy: -126.620 bonds (distance) P-C4' energy: -148.240 flat angles C4'-P-C4' energy: -155.325 flat angles P-C4'-P energy: -100.853 tors. eta vs tors. theta energy: -129.811 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: 226 Temperature: 1.350000 Total energy: -1609.218241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.218241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.218241 (E_RNA) where: Base-Base interactions energy: -1078.196 where: short stacking energy: -478.645 Base-Backbone interact. energy: 12.455 local terms energy: -543.477283 where: bonds (distance) C4'-P energy: -125.938 bonds (distance) P-C4' energy: -119.793 flat angles C4'-P-C4' energy: -136.688 flat angles P-C4'-P energy: -100.955 tors. eta vs tors. theta energy: -60.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3334.767457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3334.767457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3334.767457 (E_RNA) where: Base-Base interactions energy: -2395.481 where: short stacking energy: -997.086 Base-Backbone interact. energy: -4.276 local terms energy: -935.010432 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -179.923 flat angles C4'-P-C4' energy: -204.471 flat angles P-C4'-P energy: -127.435 tors. eta vs tors. theta energy: -260.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -3256.339286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.339286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.339286 (E_RNA) where: Base-Base interactions energy: -2294.390 where: short stacking energy: -953.592 Base-Backbone interact. energy: -5.516 local terms energy: -956.432727 where: bonds (distance) C4'-P energy: -167.981 bonds (distance) P-C4' energy: -186.107 flat angles C4'-P-C4' energy: -203.116 flat angles P-C4'-P energy: -144.102 tors. eta vs tors. theta energy: -255.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -3131.587437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.587437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.587437 (E_RNA) where: Base-Base interactions energy: -2224.831 where: short stacking energy: -922.726 Base-Backbone interact. energy: -1.910 local terms energy: -904.847119 where: bonds (distance) C4'-P energy: -168.030 bonds (distance) P-C4' energy: -156.137 flat angles C4'-P-C4' energy: -199.896 flat angles P-C4'-P energy: -124.019 tors. eta vs tors. theta energy: -256.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -3062.762637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.762637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.762637 (E_RNA) where: Base-Base interactions energy: -2176.300 where: short stacking energy: -879.513 Base-Backbone interact. energy: -4.990 local terms energy: -881.471975 where: bonds (distance) C4'-P energy: -174.137 bonds (distance) P-C4' energy: -158.418 flat angles C4'-P-C4' energy: -182.980 flat angles P-C4'-P energy: -126.780 tors. eta vs tors. theta energy: -239.157 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: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2958.916399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.916399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.916399 (E_RNA) where: Base-Base interactions energy: -2058.141 where: short stacking energy: -885.420 Base-Backbone interact. energy: -3.448 local terms energy: -897.326653 where: bonds (distance) C4'-P energy: -175.349 bonds (distance) P-C4' energy: -167.272 flat angles C4'-P-C4' energy: -190.383 flat angles P-C4'-P energy: -121.626 tors. eta vs tors. theta energy: -242.697 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: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2731.573202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.573202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.573202 (E_RNA) where: Base-Base interactions energy: -1880.345 where: short stacking energy: -801.871 Base-Backbone interact. energy: -4.607 local terms energy: -846.620319 where: bonds (distance) C4'-P energy: -151.302 bonds (distance) P-C4' energy: -191.979 flat angles C4'-P-C4' energy: -189.036 flat angles P-C4'-P energy: -112.553 tors. eta vs tors. theta energy: -201.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2377.632902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.632902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.632902 (E_RNA) where: Base-Base interactions energy: -1686.185 where: short stacking energy: -716.458 Base-Backbone interact. energy: -0.517 local terms energy: -690.931222 where: bonds (distance) C4'-P energy: -119.797 bonds (distance) P-C4' energy: -155.361 flat angles C4'-P-C4' energy: -172.565 flat angles P-C4'-P energy: -90.414 tors. eta vs tors. theta energy: -152.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -2270.155316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.155316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.155316 (E_RNA) where: Base-Base interactions energy: -1555.903 where: short stacking energy: -668.151 Base-Backbone interact. energy: -2.816 local terms energy: -711.436760 where: bonds (distance) C4'-P energy: -156.462 bonds (distance) P-C4' energy: -163.528 flat angles C4'-P-C4' energy: -163.701 flat angles P-C4'-P energy: -80.785 tors. eta vs tors. theta energy: -146.960 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: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -2063.992802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.992802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.992802 (E_RNA) where: Base-Base interactions energy: -1372.128 where: short stacking energy: -600.256 Base-Backbone interact. energy: -0.078 local terms energy: -691.786831 where: bonds (distance) C4'-P energy: -141.103 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -156.773 flat angles P-C4'-P energy: -105.005 tors. eta vs tors. theta energy: -140.106 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: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1636.303578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.303578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.303578 (E_RNA) where: Base-Base interactions energy: -1073.131 where: short stacking energy: -518.361 Base-Backbone interact. energy: 1.272 local terms energy: -564.444393 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -135.338 flat angles C4'-P-C4' energy: -130.131 flat angles P-C4'-P energy: -83.684 tors. eta vs tors. theta energy: -61.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3335.183072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.183072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.183072 (E_RNA) where: Base-Base interactions energy: -2370.840 where: short stacking energy: -967.674 Base-Backbone interact. energy: -4.640 local terms energy: -959.702868 where: bonds (distance) C4'-P energy: -170.238 bonds (distance) P-C4' energy: -186.355 flat angles C4'-P-C4' energy: -210.980 flat angles P-C4'-P energy: -138.012 tors. eta vs tors. theta energy: -254.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -3239.917212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.917212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.917212 (E_RNA) where: Base-Base interactions energy: -2294.037 where: short stacking energy: -942.719 Base-Backbone interact. energy: -5.021 local terms energy: -940.859546 where: bonds (distance) C4'-P energy: -172.246 bonds (distance) P-C4' energy: -166.317 flat angles C4'-P-C4' energy: -218.624 flat angles P-C4'-P energy: -132.392 tors. eta vs tors. theta energy: -251.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -3118.851876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.851876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.851876 (E_RNA) where: Base-Base interactions energy: -2217.953 where: short stacking energy: -912.452 Base-Backbone interact. energy: 5.236 local terms energy: -906.134774 where: bonds (distance) C4'-P energy: -152.612 bonds (distance) P-C4' energy: -169.402 flat angles C4'-P-C4' energy: -210.422 flat angles P-C4'-P energy: -130.713 tors. eta vs tors. theta energy: -242.987 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: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -3022.156351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.156351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.156351 (E_RNA) where: Base-Base interactions energy: -2134.111 where: short stacking energy: -882.756 Base-Backbone interact. energy: -5.361 local terms energy: -882.684088 where: bonds (distance) C4'-P energy: -143.428 bonds (distance) P-C4' energy: -170.015 flat angles C4'-P-C4' energy: -199.290 flat angles P-C4'-P energy: -142.723 tors. eta vs tors. theta energy: -227.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2943.330645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.330645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.330645 (E_RNA) where: Base-Base interactions energy: -2036.511 where: short stacking energy: -897.531 Base-Backbone interact. energy: -1.391 local terms energy: -905.429279 where: bonds (distance) C4'-P energy: -186.602 bonds (distance) P-C4' energy: -174.236 flat angles C4'-P-C4' energy: -192.834 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -244.552 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: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2740.085448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.085448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.085448 (E_RNA) where: Base-Base interactions energy: -1891.155 where: short stacking energy: -807.237 Base-Backbone interact. energy: -1.042 local terms energy: -847.888385 where: bonds (distance) C4'-P energy: -154.780 bonds (distance) P-C4' energy: -164.976 flat angles C4'-P-C4' energy: -197.637 flat angles P-C4'-P energy: -129.310 tors. eta vs tors. theta energy: -201.186 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: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -2435.594133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2435.594133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2435.594133 (E_RNA) where: Base-Base interactions energy: -1689.570 where: short stacking energy: -721.086 Base-Backbone interact. energy: -1.746 local terms energy: -744.277815 where: bonds (distance) C4'-P energy: -123.736 bonds (distance) P-C4' energy: -154.804 flat angles C4'-P-C4' energy: -169.250 flat angles P-C4'-P energy: -116.769 tors. eta vs tors. theta energy: -179.719 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: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -2313.205029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.205029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.205029 (E_RNA) where: Base-Base interactions energy: -1549.511 where: short stacking energy: -699.034 Base-Backbone interact. energy: -0.630 local terms energy: -763.064243 where: bonds (distance) C4'-P energy: -152.194 bonds (distance) P-C4' energy: -160.331 flat angles C4'-P-C4' energy: -179.906 flat angles P-C4'-P energy: -100.674 tors. eta vs tors. theta energy: -169.960 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: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1981.685060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.685060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.685060 (E_RNA) where: Base-Base interactions energy: -1313.181 where: short stacking energy: -599.484 Base-Backbone interact. energy: 5.545 local terms energy: -674.049401 where: bonds (distance) C4'-P energy: -129.974 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -165.609 flat angles P-C4'-P energy: -101.039 tors. eta vs tors. theta energy: -116.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1596.974473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.974473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.974473 (E_RNA) where: Base-Base interactions energy: -1040.270 where: short stacking energy: -472.879 Base-Backbone interact. energy: 2.639 local terms energy: -559.343532 where: bonds (distance) C4'-P energy: -125.568 bonds (distance) P-C4' energy: -143.804 flat angles C4'-P-C4' energy: -139.634 flat angles P-C4'-P energy: -86.270 tors. eta vs tors. theta energy: -64.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3354.762808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.762808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.762808 (E_RNA) where: Base-Base interactions energy: -2373.803 where: short stacking energy: -980.927 Base-Backbone interact. energy: -0.862 local terms energy: -980.097868 where: bonds (distance) C4'-P energy: -187.494 bonds (distance) P-C4' energy: -189.940 flat angles C4'-P-C4' energy: -203.610 flat angles P-C4'-P energy: -144.341 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: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -3252.334166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.334166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.334166 (E_RNA) where: Base-Base interactions energy: -2305.550 where: short stacking energy: -933.214 Base-Backbone interact. energy: -5.336 local terms energy: -941.448673 where: bonds (distance) C4'-P energy: -165.339 bonds (distance) P-C4' energy: -172.691 flat angles C4'-P-C4' energy: -206.323 flat angles P-C4'-P energy: -131.204 tors. eta vs tors. theta energy: -265.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -3130.597406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.597406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.597406 (E_RNA) where: Base-Base interactions energy: -2218.559 where: short stacking energy: -908.380 Base-Backbone interact. energy: 3.886 local terms energy: -915.924767 where: bonds (distance) C4'-P energy: -164.921 bonds (distance) P-C4' energy: -174.487 flat angles C4'-P-C4' energy: -191.337 flat angles P-C4'-P energy: -135.041 tors. eta vs tors. theta energy: -250.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -3070.254054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.254054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.254054 (E_RNA) where: Base-Base interactions energy: -2172.162 where: short stacking energy: -886.480 Base-Backbone interact. energy: -3.183 local terms energy: -894.909359 where: bonds (distance) C4'-P energy: -172.518 bonds (distance) P-C4' energy: -167.591 flat angles C4'-P-C4' energy: -192.336 flat angles P-C4'-P energy: -122.307 tors. eta vs tors. theta energy: -240.158 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: 2 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2994.378954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.378954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.378954 (E_RNA) where: Base-Base interactions energy: -2083.222 where: short stacking energy: -928.430 Base-Backbone interact. energy: 1.577 local terms energy: -912.734396 where: bonds (distance) C4'-P energy: -172.410 bonds (distance) P-C4' energy: -173.832 flat angles C4'-P-C4' energy: -195.011 flat angles P-C4'-P energy: -128.826 tors. eta vs tors. theta energy: -242.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2725.215549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.215549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.215549 (E_RNA) where: Base-Base interactions energy: -1909.006 where: short stacking energy: -826.754 Base-Backbone interact. energy: -2.029 local terms energy: -814.180933 where: bonds (distance) C4'-P energy: -167.281 bonds (distance) P-C4' energy: -150.590 flat angles C4'-P-C4' energy: -179.282 flat angles P-C4'-P energy: -106.379 tors. eta vs tors. theta energy: -210.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2434.907155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.907155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.907155 (E_RNA) where: Base-Base interactions energy: -1698.907 where: short stacking energy: -692.090 Base-Backbone interact. energy: 5.963 local terms energy: -741.963220 where: bonds (distance) C4'-P energy: -159.283 bonds (distance) P-C4' energy: -143.157 flat angles C4'-P-C4' energy: -178.936 flat angles P-C4'-P energy: -108.309 tors. eta vs tors. theta energy: -152.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2255.134557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.134557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.134557 (E_RNA) where: Base-Base interactions energy: -1535.818 where: short stacking energy: -695.014 Base-Backbone interact. energy: -2.035 local terms energy: -717.281514 where: bonds (distance) C4'-P energy: -142.438 bonds (distance) P-C4' energy: -125.313 flat angles C4'-P-C4' energy: -169.851 flat angles P-C4'-P energy: -109.278 tors. eta vs tors. theta energy: -170.401 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: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -2032.260205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.260205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.260205 (E_RNA) where: Base-Base interactions energy: -1330.469 where: short stacking energy: -606.016 Base-Backbone interact. energy: 0.097 local terms energy: -701.888227 where: bonds (distance) C4'-P energy: -147.006 bonds (distance) P-C4' energy: -150.951 flat angles C4'-P-C4' energy: -148.388 flat angles P-C4'-P energy: -112.063 tors. eta vs tors. theta energy: -143.481 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: 229 Temperature: 1.350000 Total energy: -1549.028104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.028104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.028104 (E_RNA) where: Base-Base interactions energy: -976.461 where: short stacking energy: -409.859 Base-Backbone interact. energy: -3.565 local terms energy: -569.002258 where: bonds (distance) C4'-P energy: -125.069 bonds (distance) P-C4' energy: -150.957 flat angles C4'-P-C4' energy: -138.674 flat angles P-C4'-P energy: -98.037 tors. eta vs tors. theta energy: -56.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3364.818926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.818926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.818926 (E_RNA) where: Base-Base interactions energy: -2402.224 where: short stacking energy: -996.005 Base-Backbone interact. energy: -3.143 local terms energy: -959.451858 where: bonds (distance) C4'-P energy: -180.406 bonds (distance) P-C4' energy: -179.425 flat angles C4'-P-C4' energy: -201.328 flat angles P-C4'-P energy: -138.523 tors. eta vs tors. theta energy: -259.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -3238.156354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.156354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.156354 (E_RNA) where: Base-Base interactions energy: -2280.949 where: short stacking energy: -953.869 Base-Backbone interact. energy: -1.945 local terms energy: -955.262917 where: bonds (distance) C4'-P energy: -179.693 bonds (distance) P-C4' energy: -173.107 flat angles C4'-P-C4' energy: -215.529 flat angles P-C4'-P energy: -128.767 tors. eta vs tors. theta energy: -258.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -3121.540370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.540370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.540370 (E_RNA) where: Base-Base interactions energy: -2196.032 where: short stacking energy: -921.093 Base-Backbone interact. energy: -2.351 local terms energy: -923.157392 where: bonds (distance) C4'-P energy: -167.627 bonds (distance) P-C4' energy: -179.503 flat angles C4'-P-C4' energy: -201.481 flat angles P-C4'-P energy: -129.241 tors. eta vs tors. theta energy: -245.305 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -3050.165023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.165023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.165023 (E_RNA) where: Base-Base interactions energy: -2144.431 where: short stacking energy: -905.379 Base-Backbone interact. energy: 1.333 local terms energy: -907.067445 where: bonds (distance) C4'-P energy: -185.518 bonds (distance) P-C4' energy: -168.838 flat angles C4'-P-C4' energy: -189.303 flat angles P-C4'-P energy: -110.501 tors. eta vs tors. theta energy: -252.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2926.828933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.828933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.828933 (E_RNA) where: Base-Base interactions energy: -2024.523 where: short stacking energy: -882.804 Base-Backbone interact. energy: -0.743 local terms energy: -901.563237 where: bonds (distance) C4'-P energy: -163.000 bonds (distance) P-C4' energy: -182.063 flat angles C4'-P-C4' energy: -202.657 flat angles P-C4'-P energy: -124.824 tors. eta vs tors. theta energy: -229.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2730.502285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.502285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.502285 (E_RNA) where: Base-Base interactions energy: -1883.111 where: short stacking energy: -841.913 Base-Backbone interact. energy: 3.511 local terms energy: -850.902187 where: bonds (distance) C4'-P energy: -142.051 bonds (distance) P-C4' energy: -173.261 flat angles C4'-P-C4' energy: -181.453 flat angles P-C4'-P energy: -130.799 tors. eta vs tors. theta energy: -223.339 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: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2419.498301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.498301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.498301 (E_RNA) where: Base-Base interactions energy: -1678.546 where: short stacking energy: -738.038 Base-Backbone interact. energy: 3.461 local terms energy: -744.413019 where: bonds (distance) C4'-P energy: -155.784 bonds (distance) P-C4' energy: -145.284 flat angles C4'-P-C4' energy: -174.031 flat angles P-C4'-P energy: -94.440 tors. eta vs tors. theta energy: -174.875 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: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2274.992926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.992926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.992926 (E_RNA) where: Base-Base interactions energy: -1557.602 where: short stacking energy: -696.139 Base-Backbone interact. energy: -0.293 local terms energy: -717.097354 where: bonds (distance) C4'-P energy: -125.253 bonds (distance) P-C4' energy: -176.510 flat angles C4'-P-C4' energy: -155.782 flat angles P-C4'-P energy: -99.446 tors. eta vs tors. theta energy: -160.107 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: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1992.641193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.641193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.641193 (E_RNA) where: Base-Base interactions energy: -1337.471 where: short stacking energy: -621.953 Base-Backbone interact. energy: 1.374 local terms energy: -656.543805 where: bonds (distance) C4'-P energy: -146.931 bonds (distance) P-C4' energy: -158.553 flat angles C4'-P-C4' energy: -146.791 flat angles P-C4'-P energy: -81.429 tors. eta vs tors. theta energy: -122.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1531.894280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.894280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.894280 (E_RNA) where: Base-Base interactions energy: -985.063 where: short stacking energy: -430.167 Base-Backbone interact. energy: 3.414 local terms energy: -550.244844 where: bonds (distance) C4'-P energy: -134.428 bonds (distance) P-C4' energy: -159.912 flat angles C4'-P-C4' energy: -152.282 flat angles P-C4'-P energy: -73.628 tors. eta vs tors. theta energy: -29.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3390.377440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3390.377440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3390.377440 (E_RNA) where: Base-Base interactions energy: -2399.090 where: short stacking energy: -994.783 Base-Backbone interact. energy: -1.101 local terms energy: -990.186134 where: bonds (distance) C4'-P energy: -183.113 bonds (distance) P-C4' energy: -181.275 flat angles C4'-P-C4' energy: -217.032 flat angles P-C4'-P energy: -142.654 tors. eta vs tors. theta energy: -266.112 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: 2, replica: 4 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -3280.566722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.566722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.566722 (E_RNA) where: Base-Base interactions energy: -2322.416 where: short stacking energy: -953.132 Base-Backbone interact. energy: -3.322 local terms energy: -954.829033 where: bonds (distance) C4'-P energy: -173.906 bonds (distance) P-C4' energy: -161.520 flat angles C4'-P-C4' energy: -217.495 flat angles P-C4'-P energy: -148.273 tors. eta vs tors. theta energy: -253.635 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: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -3149.280377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.280377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.280377 (E_RNA) where: Base-Base interactions energy: -2223.194 where: short stacking energy: -904.995 Base-Backbone interact. energy: -5.331 local terms energy: -920.755731 where: bonds (distance) C4'-P energy: -151.566 bonds (distance) P-C4' energy: -170.818 flat angles C4'-P-C4' energy: -203.584 flat angles P-C4'-P energy: -141.380 tors. eta vs tors. theta energy: -253.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -3007.826056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.826056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.826056 (E_RNA) where: Base-Base interactions energy: -2105.038 where: short stacking energy: -882.588 Base-Backbone interact. energy: -2.020 local terms energy: -900.769037 where: bonds (distance) C4'-P energy: -172.745 bonds (distance) P-C4' energy: -177.247 flat angles C4'-P-C4' energy: -189.583 flat angles P-C4'-P energy: -120.538 tors. eta vs tors. theta energy: -240.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2987.320468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.320468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.320468 (E_RNA) where: Base-Base interactions energy: -2103.712 where: short stacking energy: -920.913 Base-Backbone interact. energy: 0.977 local terms energy: -884.585936 where: bonds (distance) C4'-P energy: -157.968 bonds (distance) P-C4' energy: -169.096 flat angles C4'-P-C4' energy: -197.802 flat angles P-C4'-P energy: -119.967 tors. eta vs tors. theta energy: -239.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2676.273154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.273154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.273154 (E_RNA) where: Base-Base interactions energy: -1850.973 where: short stacking energy: -785.668 Base-Backbone interact. energy: -1.560 local terms energy: -823.739767 where: bonds (distance) C4'-P energy: -170.114 bonds (distance) P-C4' energy: -159.786 flat angles C4'-P-C4' energy: -178.626 flat angles P-C4'-P energy: -107.889 tors. eta vs tors. theta energy: -207.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2450.114726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.114726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.114726 (E_RNA) where: Base-Base interactions energy: -1726.855 where: short stacking energy: -726.071 Base-Backbone interact. energy: 2.094 local terms energy: -725.353289 where: bonds (distance) C4'-P energy: -154.203 bonds (distance) P-C4' energy: -144.237 flat angles C4'-P-C4' energy: -184.563 flat angles P-C4'-P energy: -81.634 tors. eta vs tors. theta energy: -160.718 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: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -2267.621176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.621176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.621176 (E_RNA) where: Base-Base interactions energy: -1525.135 where: short stacking energy: -671.251 Base-Backbone interact. energy: 2.170 local terms energy: -744.655951 where: bonds (distance) C4'-P energy: -128.994 bonds (distance) P-C4' energy: -167.292 flat angles C4'-P-C4' energy: -188.689 flat angles P-C4'-P energy: -112.553 tors. eta vs tors. theta energy: -147.127 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: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -2029.000765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.000765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.000765 (E_RNA) where: Base-Base interactions energy: -1377.888 where: short stacking energy: -597.377 Base-Backbone interact. energy: 3.630 local terms energy: -654.743209 where: bonds (distance) C4'-P energy: -126.616 bonds (distance) P-C4' energy: -151.608 flat angles C4'-P-C4' energy: -158.569 flat angles P-C4'-P energy: -101.652 tors. eta vs tors. theta energy: -116.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1485.284722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.284722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.284722 (E_RNA) where: Base-Base interactions energy: -939.267 where: short stacking energy: -449.890 Base-Backbone interact. energy: -2.513 local terms energy: -543.504052 where: bonds (distance) C4'-P energy: -130.627 bonds (distance) P-C4' energy: -149.963 flat angles C4'-P-C4' energy: -137.628 flat angles P-C4'-P energy: -76.693 tors. eta vs tors. theta energy: -48.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3347.265986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.265986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.265986 (E_RNA) where: Base-Base interactions energy: -2374.970 where: short stacking energy: -961.208 Base-Backbone interact. energy: -0.847 local terms energy: -971.449070 where: bonds (distance) C4'-P energy: -192.129 bonds (distance) P-C4' energy: -175.482 flat angles C4'-P-C4' energy: -217.478 flat angles P-C4'-P energy: -132.016 tors. eta vs tors. theta energy: -254.344 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: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -3293.312904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.312904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.312904 (E_RNA) where: Base-Base interactions energy: -2336.766 where: short stacking energy: -971.214 Base-Backbone interact. energy: 9.308 local terms energy: -965.854696 where: bonds (distance) C4'-P energy: -179.260 bonds (distance) P-C4' energy: -183.706 flat angles C4'-P-C4' energy: -206.245 flat angles P-C4'-P energy: -138.322 tors. eta vs tors. theta energy: -258.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -3142.032594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.032594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.032594 (E_RNA) where: Base-Base interactions energy: -2220.369 where: short stacking energy: -907.185 Base-Backbone interact. energy: -2.831 local terms energy: -918.832222 where: bonds (distance) C4'-P energy: -179.369 bonds (distance) P-C4' energy: -171.546 flat angles C4'-P-C4' energy: -205.439 flat angles P-C4'-P energy: -136.872 tors. eta vs tors. theta energy: -225.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2959.552039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.552039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.552039 (E_RNA) where: Base-Base interactions energy: -2063.052 where: short stacking energy: -858.943 Base-Backbone interact. energy: -3.589 local terms energy: -892.911110 where: bonds (distance) C4'-P energy: -175.491 bonds (distance) P-C4' energy: -175.417 flat angles C4'-P-C4' energy: -186.211 flat angles P-C4'-P energy: -115.207 tors. eta vs tors. theta energy: -240.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2934.247131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.247131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.247131 (E_RNA) where: Base-Base interactions energy: -2036.843 where: short stacking energy: -893.270 Base-Backbone interact. energy: -2.970 local terms energy: -894.434651 where: bonds (distance) C4'-P energy: -167.082 bonds (distance) P-C4' energy: -174.583 flat angles C4'-P-C4' energy: -179.557 flat angles P-C4'-P energy: -123.830 tors. eta vs tors. theta energy: -249.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2682.512727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.512727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.512727 (E_RNA) where: Base-Base interactions energy: -1858.249 where: short stacking energy: -777.178 Base-Backbone interact. energy: -2.932 local terms energy: -821.332002 where: bonds (distance) C4'-P energy: -157.920 bonds (distance) P-C4' energy: -167.745 flat angles C4'-P-C4' energy: -179.146 flat angles P-C4'-P energy: -124.722 tors. eta vs tors. theta energy: -191.798 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: 232 Temperature: 1.200000 Total energy: -2498.943291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.943291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.943291 (E_RNA) where: Base-Base interactions energy: -1731.171 where: short stacking energy: -714.885 Base-Backbone interact. energy: -4.558 local terms energy: -763.213936 where: bonds (distance) C4'-P energy: -161.717 bonds (distance) P-C4' energy: -164.684 flat angles C4'-P-C4' energy: -174.931 flat angles P-C4'-P energy: -92.575 tors. eta vs tors. theta energy: -169.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -2298.124563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.124563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.124563 (E_RNA) where: Base-Base interactions energy: -1560.579 where: short stacking energy: -672.639 Base-Backbone interact. energy: -1.483 local terms energy: -736.062856 where: bonds (distance) C4'-P energy: -143.451 bonds (distance) P-C4' energy: -153.934 flat angles C4'-P-C4' energy: -175.187 flat angles P-C4'-P energy: -102.213 tors. eta vs tors. theta energy: -161.278 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: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -2024.687374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.687374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.687374 (E_RNA) where: Base-Base interactions energy: -1371.128 where: short stacking energy: -578.530 Base-Backbone interact. energy: 2.586 local terms energy: -656.145796 where: bonds (distance) C4'-P energy: -142.543 bonds (distance) P-C4' energy: -147.932 flat angles C4'-P-C4' energy: -164.448 flat angles P-C4'-P energy: -90.750 tors. eta vs tors. theta energy: -110.473 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: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1490.591683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.591683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.591683 (E_RNA) where: Base-Base interactions energy: -977.169 where: short stacking energy: -447.235 Base-Backbone interact. energy: 2.751 local terms energy: -516.173568 where: bonds (distance) C4'-P energy: -135.846 bonds (distance) P-C4' energy: -143.838 flat angles C4'-P-C4' energy: -136.843 flat angles P-C4'-P energy: -67.311 tors. eta vs tors. theta energy: -32.336 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: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3297.566926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.566926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.566926 (E_RNA) where: Base-Base interactions energy: -2348.304 where: short stacking energy: -979.662 Base-Backbone interact. energy: -1.314 local terms energy: -947.949533 where: bonds (distance) C4'-P energy: -175.889 bonds (distance) P-C4' energy: -168.137 flat angles C4'-P-C4' energy: -206.838 flat angles P-C4'-P energy: -140.019 tors. eta vs tors. theta energy: -257.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -3275.475485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.475485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.475485 (E_RNA) where: Base-Base interactions energy: -2299.668 where: short stacking energy: -953.331 Base-Backbone interact. energy: -0.966 local terms energy: -974.841573 where: bonds (distance) C4'-P energy: -188.094 bonds (distance) P-C4' energy: -189.223 flat angles C4'-P-C4' energy: -207.405 flat angles P-C4'-P energy: -134.187 tors. eta vs tors. theta energy: -255.934 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: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -3156.522184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.522184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.522184 (E_RNA) where: Base-Base interactions energy: -2246.028 where: short stacking energy: -903.159 Base-Backbone interact. energy: -3.061 local terms energy: -907.432686 where: bonds (distance) C4'-P energy: -160.765 bonds (distance) P-C4' energy: -165.534 flat angles C4'-P-C4' energy: -202.230 flat angles P-C4'-P energy: -135.260 tors. eta vs tors. theta energy: -243.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2961.653790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.653790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.653790 (E_RNA) where: Base-Base interactions energy: -2076.649 where: short stacking energy: -865.307 Base-Backbone interact. energy: -0.465 local terms energy: -884.540710 where: bonds (distance) C4'-P energy: -139.325 bonds (distance) P-C4' energy: -197.986 flat angles C4'-P-C4' energy: -188.203 flat angles P-C4'-P energy: -126.098 tors. eta vs tors. theta energy: -232.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2886.036305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.036305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.036305 (E_RNA) where: Base-Base interactions energy: -1998.285 where: short stacking energy: -906.139 Base-Backbone interact. energy: -4.368 local terms energy: -883.383534 where: bonds (distance) C4'-P energy: -142.582 bonds (distance) P-C4' energy: -164.118 flat angles C4'-P-C4' energy: -200.667 flat angles P-C4'-P energy: -127.303 tors. eta vs tors. theta energy: -248.713 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: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2711.929004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.929004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.929004 (E_RNA) where: Base-Base interactions energy: -1887.846 where: short stacking energy: -830.452 Base-Backbone interact. energy: 1.480 local terms energy: -825.563526 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -173.926 flat angles C4'-P-C4' energy: -172.046 flat angles P-C4'-P energy: -106.355 tors. eta vs tors. theta energy: -219.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2530.454004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.454004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.454004 (E_RNA) where: Base-Base interactions energy: -1785.400 where: short stacking energy: -782.693 Base-Backbone interact. energy: 3.893 local terms energy: -748.946821 where: bonds (distance) C4'-P energy: -115.890 bonds (distance) P-C4' energy: -158.800 flat angles C4'-P-C4' energy: -163.357 flat angles P-C4'-P energy: -119.234 tors. eta vs tors. theta energy: -191.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -2352.077650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.077650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.077650 (E_RNA) where: Base-Base interactions energy: -1615.993 where: short stacking energy: -711.002 Base-Backbone interact. energy: -1.967 local terms energy: -734.117743 where: bonds (distance) C4'-P energy: -146.585 bonds (distance) P-C4' energy: -149.662 flat angles C4'-P-C4' energy: -191.484 flat angles P-C4'-P energy: -81.759 tors. eta vs tors. theta energy: -164.629 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: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -2061.217666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.217666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.217666 (E_RNA) where: Base-Base interactions energy: -1399.040 where: short stacking energy: -621.167 Base-Backbone interact. energy: -5.135 local terms energy: -657.042859 where: bonds (distance) C4'-P energy: -136.028 bonds (distance) P-C4' energy: -168.127 flat angles C4'-P-C4' energy: -150.100 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -112.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1418.154063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.154063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.154063 (E_RNA) where: Base-Base interactions energy: -937.175 where: short stacking energy: -440.631 Base-Backbone interact. energy: 6.372 local terms energy: -487.351252 where: bonds (distance) C4'-P energy: -137.577 bonds (distance) P-C4' energy: -127.322 flat angles C4'-P-C4' energy: -106.552 flat angles P-C4'-P energy: -77.399 tors. eta vs tors. theta energy: -38.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3339.002101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.002101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.002101 (E_RNA) where: Base-Base interactions energy: -2365.998 where: short stacking energy: -954.404 Base-Backbone interact. energy: -5.377 local terms energy: -967.626814 where: bonds (distance) C4'-P energy: -189.329 bonds (distance) P-C4' energy: -170.606 flat angles C4'-P-C4' energy: -213.831 flat angles P-C4'-P energy: -133.994 tors. eta vs tors. theta energy: -259.867 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: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -3264.483095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.483095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.483095 (E_RNA) where: Base-Base interactions energy: -2304.130 where: short stacking energy: -967.548 Base-Backbone interact. energy: 4.352 local terms energy: -964.704825 where: bonds (distance) C4'-P energy: -188.148 bonds (distance) P-C4' energy: -186.049 flat angles C4'-P-C4' energy: -210.834 flat angles P-C4'-P energy: -132.149 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: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -3093.883386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.883386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.883386 (E_RNA) where: Base-Base interactions energy: -2202.201 where: short stacking energy: -897.299 Base-Backbone interact. energy: -4.698 local terms energy: -886.984100 where: bonds (distance) C4'-P energy: -171.298 bonds (distance) P-C4' energy: -171.431 flat angles C4'-P-C4' energy: -192.277 flat angles P-C4'-P energy: -128.767 tors. eta vs tors. theta energy: -223.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2988.119294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.119294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.119294 (E_RNA) where: Base-Base interactions energy: -2125.637 where: short stacking energy: -851.216 Base-Backbone interact. energy: -1.085 local terms energy: -861.396929 where: bonds (distance) C4'-P energy: -170.560 bonds (distance) P-C4' energy: -158.433 flat angles C4'-P-C4' energy: -186.510 flat angles P-C4'-P energy: -109.908 tors. eta vs tors. theta energy: -235.987 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: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2898.049254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.049254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.049254 (E_RNA) where: Base-Base interactions energy: -2024.954 where: short stacking energy: -880.245 Base-Backbone interact. energy: -2.465 local terms energy: -870.629967 where: bonds (distance) C4'-P energy: -172.523 bonds (distance) P-C4' energy: -157.720 flat angles C4'-P-C4' energy: -178.226 flat angles P-C4'-P energy: -128.930 tors. eta vs tors. theta energy: -233.231 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: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2738.184658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.184658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.184658 (E_RNA) where: Base-Base interactions energy: -1905.828 where: short stacking energy: -793.079 Base-Backbone interact. energy: 6.870 local terms energy: -839.226675 where: bonds (distance) C4'-P energy: -176.347 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -187.638 flat angles P-C4'-P energy: -118.837 tors. eta vs tors. theta energy: -208.919 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: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2453.886022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.886022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.886022 (E_RNA) where: Base-Base interactions energy: -1731.306 where: short stacking energy: -720.889 Base-Backbone interact. energy: -0.157 local terms energy: -722.423093 where: bonds (distance) C4'-P energy: -142.589 bonds (distance) P-C4' energy: -149.509 flat angles C4'-P-C4' energy: -164.814 flat angles P-C4'-P energy: -107.002 tors. eta vs tors. theta energy: -158.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -2348.277950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.277950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.277950 (E_RNA) where: Base-Base interactions energy: -1587.756 where: short stacking energy: -707.435 Base-Backbone interact. energy: -1.141 local terms energy: -759.381423 where: bonds (distance) C4'-P energy: -160.532 bonds (distance) P-C4' energy: -150.063 flat angles C4'-P-C4' energy: -173.522 flat angles P-C4'-P energy: -109.293 tors. eta vs tors. theta energy: -165.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -2015.006575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.006575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.006575 (E_RNA) where: Base-Base interactions energy: -1348.946 where: short stacking energy: -569.179 Base-Backbone interact. energy: 1.236 local terms energy: -667.296427 where: bonds (distance) C4'-P energy: -165.100 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -156.975 flat angles P-C4'-P energy: -108.942 tors. eta vs tors. theta energy: -97.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1468.304493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.304493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.304493 (E_RNA) where: Base-Base interactions energy: -875.755 where: short stacking energy: -396.363 Base-Backbone interact. energy: -0.125 local terms energy: -592.425101 where: bonds (distance) C4'-P energy: -159.569 bonds (distance) P-C4' energy: -161.193 flat angles C4'-P-C4' energy: -159.198 flat angles P-C4'-P energy: -71.451 tors. eta vs tors. theta energy: -41.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3333.902141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.902141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.902141 (E_RNA) where: Base-Base interactions energy: -2335.211 where: short stacking energy: -971.271 Base-Backbone interact. energy: -3.221 local terms energy: -995.469982 where: bonds (distance) C4'-P energy: -168.588 bonds (distance) P-C4' energy: -187.299 flat angles C4'-P-C4' energy: -216.780 flat angles P-C4'-P energy: -156.230 tors. eta vs tors. theta energy: -266.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -3272.866709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.866709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.866709 (E_RNA) where: Base-Base interactions energy: -2315.264 where: short stacking energy: -953.464 Base-Backbone interact. energy: -5.085 local terms energy: -952.517797 where: bonds (distance) C4'-P energy: -169.972 bonds (distance) P-C4' energy: -184.268 flat angles C4'-P-C4' energy: -218.055 flat angles P-C4'-P energy: -127.588 tors. eta vs tors. theta energy: -252.634 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: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -3133.999959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.999959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.999959 (E_RNA) where: Base-Base interactions energy: -2218.997 where: short stacking energy: -916.621 Base-Backbone interact. energy: -2.815 local terms energy: -912.188070 where: bonds (distance) C4'-P energy: -179.169 bonds (distance) P-C4' energy: -168.736 flat angles C4'-P-C4' energy: -188.129 flat angles P-C4'-P energy: -130.220 tors. eta vs tors. theta energy: -245.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -3011.898660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.898660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.898660 (E_RNA) where: Base-Base interactions energy: -2144.323 where: short stacking energy: -909.877 Base-Backbone interact. energy: -1.219 local terms energy: -866.357162 where: bonds (distance) C4'-P energy: -159.095 bonds (distance) P-C4' energy: -149.346 flat angles C4'-P-C4' energy: -194.369 flat angles P-C4'-P energy: -129.609 tors. eta vs tors. theta energy: -233.937 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: 235 Temperature: 1.100000 Total energy: -2960.678208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.678208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.678208 (E_RNA) where: Base-Base interactions energy: -2092.268 where: short stacking energy: -908.663 Base-Backbone interact. energy: -5.399 local terms energy: -863.011243 where: bonds (distance) C4'-P energy: -151.312 bonds (distance) P-C4' energy: -150.502 flat angles C4'-P-C4' energy: -194.301 flat angles P-C4'-P energy: -116.248 tors. eta vs tors. theta energy: -250.649 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: 1 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2676.203975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.203975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.203975 (E_RNA) where: Base-Base interactions energy: -1862.748 where: short stacking energy: -824.246 Base-Backbone interact. energy: -1.904 local terms energy: -811.551871 where: bonds (distance) C4'-P energy: -151.995 bonds (distance) P-C4' energy: -164.279 flat angles C4'-P-C4' energy: -173.283 flat angles P-C4'-P energy: -106.946 tors. eta vs tors. theta energy: -215.049 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: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2481.642279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.642279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.642279 (E_RNA) where: Base-Base interactions energy: -1698.910 where: short stacking energy: -735.412 Base-Backbone interact. energy: -2.519 local terms energy: -780.212861 where: bonds (distance) C4'-P energy: -161.535 bonds (distance) P-C4' energy: -154.762 flat angles C4'-P-C4' energy: -174.823 flat angles P-C4'-P energy: -106.053 tors. eta vs tors. theta energy: -183.038 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: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -2319.777289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.777289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.777289 (E_RNA) where: Base-Base interactions energy: -1613.919 where: short stacking energy: -728.051 Base-Backbone interact. energy: 2.987 local terms energy: -708.845003 where: bonds (distance) C4'-P energy: -117.266 bonds (distance) P-C4' energy: -154.362 flat angles C4'-P-C4' energy: -167.662 flat angles P-C4'-P energy: -106.579 tors. eta vs tors. theta energy: -162.976 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: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1964.677899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.677899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.677899 (E_RNA) where: Base-Base interactions energy: -1339.136 where: short stacking energy: -591.432 Base-Backbone interact. energy: 3.437 local terms energy: -628.979319 where: bonds (distance) C4'-P energy: -145.715 bonds (distance) P-C4' energy: -144.442 flat angles C4'-P-C4' energy: -144.858 flat angles P-C4'-P energy: -88.938 tors. eta vs tors. theta energy: -105.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1517.828018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.828018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.828018 (E_RNA) where: Base-Base interactions energy: -943.861 where: short stacking energy: -460.281 Base-Backbone interact. energy: -0.375 local terms energy: -573.592205 where: bonds (distance) C4'-P energy: -147.918 bonds (distance) P-C4' energy: -154.702 flat angles C4'-P-C4' energy: -136.770 flat angles P-C4'-P energy: -69.339 tors. eta vs tors. theta energy: -64.863 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: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3351.397172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.397172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.397172 (E_RNA) where: Base-Base interactions energy: -2404.061 where: short stacking energy: -991.912 Base-Backbone interact. energy: -4.032 local terms energy: -943.304156 where: bonds (distance) C4'-P energy: -161.521 bonds (distance) P-C4' energy: -192.940 flat angles C4'-P-C4' energy: -209.309 flat angles P-C4'-P energy: -131.457 tors. eta vs tors. theta energy: -248.077 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: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -3271.814298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.814298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.814298 (E_RNA) where: Base-Base interactions energy: -2346.343 where: short stacking energy: -981.506 Base-Backbone interact. energy: -0.023 local terms energy: -925.448702 where: bonds (distance) C4'-P energy: -168.762 bonds (distance) P-C4' energy: -170.457 flat angles C4'-P-C4' energy: -190.968 flat angles P-C4'-P energy: -145.961 tors. eta vs tors. theta energy: -249.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -3117.514274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.514274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.514274 (E_RNA) where: Base-Base interactions energy: -2209.186 where: short stacking energy: -889.660 Base-Backbone interact. energy: 1.858 local terms energy: -910.185899 where: bonds (distance) C4'-P energy: -169.061 bonds (distance) P-C4' energy: -176.800 flat angles C4'-P-C4' energy: -194.964 flat angles P-C4'-P energy: -129.039 tors. eta vs tors. theta energy: -240.322 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: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2941.608632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.608632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.608632 (E_RNA) where: Base-Base interactions energy: -2096.954 where: short stacking energy: -847.563 Base-Backbone interact. energy: -3.341 local terms energy: -841.313720 where: bonds (distance) C4'-P energy: -159.850 bonds (distance) P-C4' energy: -159.482 flat angles C4'-P-C4' energy: -190.672 flat angles P-C4'-P energy: -121.818 tors. eta vs tors. theta energy: -209.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2905.379586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.379586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.379586 (E_RNA) where: Base-Base interactions energy: -2010.524 where: short stacking energy: -888.084 Base-Backbone interact. energy: -5.606 local terms energy: -889.249744 where: bonds (distance) C4'-P energy: -140.975 bonds (distance) P-C4' energy: -184.955 flat angles C4'-P-C4' energy: -184.524 flat angles P-C4'-P energy: -132.504 tors. eta vs tors. theta energy: -246.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2686.887714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.887714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.887714 (E_RNA) where: Base-Base interactions energy: -1874.400 where: short stacking energy: -798.333 Base-Backbone interact. energy: -2.250 local terms energy: -810.237671 where: bonds (distance) C4'-P energy: -148.922 bonds (distance) P-C4' energy: -154.482 flat angles C4'-P-C4' energy: -182.271 flat angles P-C4'-P energy: -110.765 tors. eta vs tors. theta energy: -213.798 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: 236 Temperature: 1.200000 Total energy: -2528.394525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.394525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.394525 (E_RNA) where: Base-Base interactions energy: -1758.477 where: short stacking energy: -741.147 Base-Backbone interact. energy: -3.689 local terms energy: -766.228312 where: bonds (distance) C4'-P energy: -137.432 bonds (distance) P-C4' energy: -172.087 flat angles C4'-P-C4' energy: -188.287 flat angles P-C4'-P energy: -99.590 tors. eta vs tors. theta energy: -168.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -2362.837475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.837475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.837475 (E_RNA) where: Base-Base interactions energy: -1624.986 where: short stacking energy: -720.195 Base-Backbone interact. energy: 4.902 local terms energy: -742.753877 where: bonds (distance) C4'-P energy: -161.035 bonds (distance) P-C4' energy: -151.183 flat angles C4'-P-C4' energy: -172.928 flat angles P-C4'-P energy: -86.582 tors. eta vs tors. theta energy: -171.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1934.896690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.896690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.896690 (E_RNA) where: Base-Base interactions energy: -1331.323 where: short stacking energy: -558.511 Base-Backbone interact. energy: 1.471 local terms energy: -605.045157 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -138.521 flat angles C4'-P-C4' energy: -162.512 flat angles P-C4'-P energy: -80.753 tors. eta vs tors. theta energy: -81.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1528.394739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.394739 (E_RNA) where: Base-Base interactions energy: -951.347 where: short stacking energy: -441.443 Base-Backbone interact. energy: -1.471 local terms energy: -575.576712 where: bonds (distance) C4'-P energy: -154.526 bonds (distance) P-C4' energy: -140.656 flat angles C4'-P-C4' energy: -144.030 flat angles P-C4'-P energy: -73.437 tors. eta vs tors. theta energy: -62.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3340.244268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3340.244268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3340.244268 (E_RNA) where: Base-Base interactions energy: -2341.290 where: short stacking energy: -951.359 Base-Backbone interact. energy: -7.398 local terms energy: -991.555985 where: bonds (distance) C4'-P energy: -181.658 bonds (distance) P-C4' energy: -191.644 flat angles C4'-P-C4' energy: -206.694 flat angles P-C4'-P energy: -147.946 tors. eta vs tors. theta energy: -263.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -3253.883927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.883927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.883927 (E_RNA) where: Base-Base interactions energy: -2332.234 where: short stacking energy: -964.385 Base-Backbone interact. energy: -6.012 local terms energy: -915.638215 where: bonds (distance) C4'-P energy: -176.168 bonds (distance) P-C4' energy: -167.943 flat angles C4'-P-C4' energy: -187.054 flat angles P-C4'-P energy: -125.999 tors. eta vs tors. theta energy: -258.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -3188.599665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.599665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.599665 (E_RNA) where: Base-Base interactions energy: -2246.334 where: short stacking energy: -909.458 Base-Backbone interact. energy: -5.055 local terms energy: -937.210393 where: bonds (distance) C4'-P energy: -173.554 bonds (distance) P-C4' energy: -180.058 flat angles C4'-P-C4' energy: -202.878 flat angles P-C4'-P energy: -129.867 tors. eta vs tors. theta energy: -250.853 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: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2922.946068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.946068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.946068 (E_RNA) where: Base-Base interactions energy: -2050.541 where: short stacking energy: -832.242 Base-Backbone interact. energy: -4.802 local terms energy: -867.602661 where: bonds (distance) C4'-P energy: -171.245 bonds (distance) P-C4' energy: -175.866 flat angles C4'-P-C4' energy: -193.168 flat angles P-C4'-P energy: -114.948 tors. eta vs tors. theta energy: -212.376 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: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2880.175098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.175098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.175098 (E_RNA) where: Base-Base interactions energy: -2012.705 where: short stacking energy: -902.662 Base-Backbone interact. energy: 2.538 local terms energy: -870.007681 where: bonds (distance) C4'-P energy: -151.608 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -180.075 flat angles P-C4'-P energy: -135.584 tors. eta vs tors. theta energy: -254.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2657.790500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.790500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.790500 (E_RNA) where: Base-Base interactions energy: -1810.858 where: short stacking energy: -799.814 Base-Backbone interact. energy: 7.407 local terms energy: -854.339220 where: bonds (distance) C4'-P energy: -160.279 bonds (distance) P-C4' energy: -167.322 flat angles C4'-P-C4' energy: -199.550 flat angles P-C4'-P energy: -128.548 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: 7, replica: 7 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2563.616566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.616566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.616566 (E_RNA) where: Base-Base interactions energy: -1803.498 where: short stacking energy: -772.199 Base-Backbone interact. energy: -6.012 local terms energy: -754.106597 where: bonds (distance) C4'-P energy: -134.459 bonds (distance) P-C4' energy: -158.523 flat angles C4'-P-C4' energy: -173.865 flat angles P-C4'-P energy: -98.838 tors. eta vs tors. theta energy: -188.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -2320.696549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.696549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.696549 (E_RNA) where: Base-Base interactions energy: -1644.475 where: short stacking energy: -672.691 Base-Backbone interact. energy: -0.679 local terms energy: -675.542981 where: bonds (distance) C4'-P energy: -145.593 bonds (distance) P-C4' energy: -134.488 flat angles C4'-P-C4' energy: -145.413 flat angles P-C4'-P energy: -98.169 tors. eta vs tors. theta energy: -151.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -2002.974239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.974239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.974239 (E_RNA) where: Base-Base interactions energy: -1369.049 where: short stacking energy: -609.575 Base-Backbone interact. energy: 2.390 local terms energy: -636.314881 where: bonds (distance) C4'-P energy: -134.512 bonds (distance) P-C4' energy: -144.143 flat angles C4'-P-C4' energy: -132.574 flat angles P-C4'-P energy: -119.065 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: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1545.835176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.835176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.835176 (E_RNA) where: Base-Base interactions energy: -956.102 where: short stacking energy: -441.669 Base-Backbone interact. energy: -1.986 local terms energy: -587.747183 where: bonds (distance) C4'-P energy: -145.893 bonds (distance) P-C4' energy: -180.081 flat angles C4'-P-C4' energy: -136.297 flat angles P-C4'-P energy: -72.874 tors. eta vs tors. theta energy: -52.602 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: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3358.573879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.573879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.573879 (E_RNA) where: Base-Base interactions energy: -2397.171 where: short stacking energy: -992.268 Base-Backbone interact. energy: -5.538 local terms energy: -955.865216 where: bonds (distance) C4'-P energy: -169.785 bonds (distance) P-C4' energy: -187.234 flat angles C4'-P-C4' energy: -217.684 flat angles P-C4'-P energy: -126.716 tors. eta vs tors. theta energy: -254.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -3250.775987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.775987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.775987 (E_RNA) where: Base-Base interactions energy: -2289.020 where: short stacking energy: -958.905 Base-Backbone interact. energy: -0.181 local terms energy: -961.574481 where: bonds (distance) C4'-P energy: -194.947 bonds (distance) P-C4' energy: -181.475 flat angles C4'-P-C4' energy: -201.942 flat angles P-C4'-P energy: -130.280 tors. eta vs tors. theta energy: -252.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -3157.003117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.003117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.003117 (E_RNA) where: Base-Base interactions energy: -2244.231 where: short stacking energy: -921.735 Base-Backbone interact. energy: -4.165 local terms energy: -908.606168 where: bonds (distance) C4'-P energy: -170.351 bonds (distance) P-C4' energy: -181.506 flat angles C4'-P-C4' energy: -195.650 flat angles P-C4'-P energy: -114.970 tors. eta vs tors. theta energy: -246.130 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: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2956.221581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.221581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.221581 (E_RNA) where: Base-Base interactions energy: -2118.650 where: short stacking energy: -843.688 Base-Backbone interact. energy: 4.312 local terms energy: -841.883325 where: bonds (distance) C4'-P energy: -154.794 bonds (distance) P-C4' energy: -159.787 flat angles C4'-P-C4' energy: -180.076 flat angles P-C4'-P energy: -122.310 tors. eta vs tors. theta energy: -224.917 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: 5, replica: 2 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2904.254870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.254870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.254870 (E_RNA) where: Base-Base interactions energy: -2047.546 where: short stacking energy: -910.881 Base-Backbone interact. energy: -0.709 local terms energy: -855.999812 where: bonds (distance) C4'-P energy: -148.757 bonds (distance) P-C4' energy: -156.034 flat angles C4'-P-C4' energy: -193.773 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -241.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2662.662080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.662080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.662080 (E_RNA) where: Base-Base interactions energy: -1867.999 where: short stacking energy: -782.036 Base-Backbone interact. energy: -2.889 local terms energy: -791.774379 where: bonds (distance) C4'-P energy: -147.687 bonds (distance) P-C4' energy: -161.027 flat angles C4'-P-C4' energy: -176.632 flat angles P-C4'-P energy: -115.622 tors. eta vs tors. theta energy: -190.806 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: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2499.914704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.914704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.914704 (E_RNA) where: Base-Base interactions energy: -1754.288 where: short stacking energy: -760.187 Base-Backbone interact. energy: -4.853 local terms energy: -740.773525 where: bonds (distance) C4'-P energy: -139.816 bonds (distance) P-C4' energy: -149.581 flat angles C4'-P-C4' energy: -169.110 flat angles P-C4'-P energy: -102.477 tors. eta vs tors. theta energy: -179.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2300.775561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.775561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.775561 (E_RNA) where: Base-Base interactions energy: -1562.719 where: short stacking energy: -671.963 Base-Backbone interact. energy: 0.990 local terms energy: -739.046402 where: bonds (distance) C4'-P energy: -159.048 bonds (distance) P-C4' energy: -160.069 flat angles C4'-P-C4' energy: -163.938 flat angles P-C4'-P energy: -93.130 tors. eta vs tors. theta energy: -162.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -2046.563348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.563348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.563348 (E_RNA) where: Base-Base interactions energy: -1377.039 where: short stacking energy: -578.562 Base-Backbone interact. energy: -3.016 local terms energy: -666.508184 where: bonds (distance) C4'-P energy: -137.564 bonds (distance) P-C4' energy: -138.742 flat angles C4'-P-C4' energy: -165.392 flat angles P-C4'-P energy: -105.103 tors. eta vs tors. theta energy: -119.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1563.418491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.418491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.418491 (E_RNA) where: Base-Base interactions energy: -1008.491 where: short stacking energy: -462.695 Base-Backbone interact. energy: 0.295 local terms energy: -555.222451 where: bonds (distance) C4'-P energy: -143.098 bonds (distance) P-C4' energy: -143.873 flat angles C4'-P-C4' energy: -141.519 flat angles P-C4'-P energy: -76.108 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: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3318.208331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.208331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.208331 (E_RNA) where: Base-Base interactions energy: -2324.548 where: short stacking energy: -977.887 Base-Backbone interact. energy: -4.654 local terms energy: -989.006522 where: bonds (distance) C4'-P energy: -177.208 bonds (distance) P-C4' energy: -195.661 flat angles C4'-P-C4' energy: -207.190 flat angles P-C4'-P energy: -147.247 tors. eta vs tors. theta energy: -261.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -3257.597184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.597184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.597184 (E_RNA) where: Base-Base interactions energy: -2296.671 where: short stacking energy: -960.435 Base-Backbone interact. energy: 2.934 local terms energy: -963.859874 where: bonds (distance) C4'-P energy: -174.702 bonds (distance) P-C4' energy: -182.119 flat angles C4'-P-C4' energy: -214.235 flat angles P-C4'-P energy: -137.107 tors. eta vs tors. theta energy: -255.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -3146.134048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.134048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.134048 (E_RNA) where: Base-Base interactions energy: -2237.288 where: short stacking energy: -905.833 Base-Backbone interact. energy: -1.918 local terms energy: -906.927743 where: bonds (distance) C4'-P energy: -162.673 bonds (distance) P-C4' energy: -178.972 flat angles C4'-P-C4' energy: -207.512 flat angles P-C4'-P energy: -116.222 tors. eta vs tors. theta energy: -241.549 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: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2998.541486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.541486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.541486 (E_RNA) where: Base-Base interactions energy: -2126.547 where: short stacking energy: -866.519 Base-Backbone interact. energy: 7.886 local terms energy: -879.881287 where: bonds (distance) C4'-P energy: -165.212 bonds (distance) P-C4' energy: -187.527 flat angles C4'-P-C4' energy: -191.153 flat angles P-C4'-P energy: -108.977 tors. eta vs tors. theta energy: -227.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2927.132659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.132659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.132659 (E_RNA) where: Base-Base interactions energy: -2034.719 where: short stacking energy: -894.846 Base-Backbone interact. energy: -2.800 local terms energy: -889.614022 where: bonds (distance) C4'-P energy: -167.439 bonds (distance) P-C4' energy: -166.294 flat angles C4'-P-C4' energy: -187.724 flat angles P-C4'-P energy: -110.840 tors. eta vs tors. theta energy: -257.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2677.052824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.052824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.052824 (E_RNA) where: Base-Base interactions energy: -1898.762 where: short stacking energy: -808.272 Base-Backbone interact. energy: 0.650 local terms energy: -778.940775 where: bonds (distance) C4'-P energy: -147.708 bonds (distance) P-C4' energy: -143.154 flat angles C4'-P-C4' energy: -178.872 flat angles P-C4'-P energy: -107.602 tors. eta vs tors. theta energy: -201.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2529.566183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.566183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.566183 (E_RNA) where: Base-Base interactions energy: -1759.805 where: short stacking energy: -756.956 Base-Backbone interact. energy: -4.917 local terms energy: -764.844017 where: bonds (distance) C4'-P energy: -144.276 bonds (distance) P-C4' energy: -185.185 flat angles C4'-P-C4' energy: -156.024 flat angles P-C4'-P energy: -95.916 tors. eta vs tors. theta energy: -183.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -2237.652456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.652456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.652456 (E_RNA) where: Base-Base interactions energy: -1540.084 where: short stacking energy: -670.377 Base-Backbone interact. energy: -4.268 local terms energy: -693.300343 where: bonds (distance) C4'-P energy: -163.684 bonds (distance) P-C4' energy: -150.044 flat angles C4'-P-C4' energy: -148.217 flat angles P-C4'-P energy: -97.007 tors. eta vs tors. theta energy: -134.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -2056.093128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.093128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.093128 (E_RNA) where: Base-Base interactions energy: -1423.255 where: short stacking energy: -623.299 Base-Backbone interact. energy: -4.625 local terms energy: -628.213107 where: bonds (distance) C4'-P energy: -145.051 bonds (distance) P-C4' energy: -138.808 flat angles C4'-P-C4' energy: -154.611 flat angles P-C4'-P energy: -68.791 tors. eta vs tors. theta energy: -120.952 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: 239 Temperature: 1.350000 Total energy: -1496.683322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.683322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.683322 (E_RNA) where: Base-Base interactions energy: -938.948 where: short stacking energy: -425.555 Base-Backbone interact. energy: -4.953 local terms energy: -552.782350 where: bonds (distance) C4'-P energy: -144.228 bonds (distance) P-C4' energy: -129.229 flat angles C4'-P-C4' energy: -132.216 flat angles P-C4'-P energy: -86.105 tors. eta vs tors. theta energy: -61.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3311.302282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.302282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.302282 (E_RNA) where: Base-Base interactions energy: -2330.151 where: short stacking energy: -950.823 Base-Backbone interact. energy: 0.007 local terms energy: -981.158728 where: bonds (distance) C4'-P energy: -182.839 bonds (distance) P-C4' energy: -186.643 flat angles C4'-P-C4' energy: -212.241 flat angles P-C4'-P energy: -150.906 tors. eta vs tors. theta energy: -248.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -3251.616032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.616032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.616032 (E_RNA) where: Base-Base interactions energy: -2323.629 where: short stacking energy: -958.031 Base-Backbone interact. energy: 5.358 local terms energy: -933.344816 where: bonds (distance) C4'-P energy: -167.832 bonds (distance) P-C4' energy: -178.710 flat angles C4'-P-C4' energy: -207.594 flat angles P-C4'-P energy: -139.147 tors. eta vs tors. theta energy: -240.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -3182.141061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.141061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.141061 (E_RNA) where: Base-Base interactions energy: -2280.918 where: short stacking energy: -907.445 Base-Backbone interact. energy: -3.003 local terms energy: -898.219800 where: bonds (distance) C4'-P energy: -169.842 bonds (distance) P-C4' energy: -175.486 flat angles C4'-P-C4' energy: -186.341 flat angles P-C4'-P energy: -125.760 tors. eta vs tors. theta energy: -240.791 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: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2956.857547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2956.857547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2956.857547 (E_RNA) where: Base-Base interactions energy: -2084.117 where: short stacking energy: -855.714 Base-Backbone interact. energy: 0.992 local terms energy: -873.731936 where: bonds (distance) C4'-P energy: -178.499 bonds (distance) P-C4' energy: -167.484 flat angles C4'-P-C4' energy: -187.779 flat angles P-C4'-P energy: -127.439 tors. eta vs tors. theta energy: -212.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2915.806426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.806426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.806426 (E_RNA) where: Base-Base interactions energy: -2026.741 where: short stacking energy: -885.392 Base-Backbone interact. energy: -3.958 local terms energy: -885.107310 where: bonds (distance) C4'-P energy: -152.957 bonds (distance) P-C4' energy: -171.725 flat angles C4'-P-C4' energy: -206.566 flat angles P-C4'-P energy: -120.541 tors. eta vs tors. theta energy: -233.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2691.665466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.665466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.665466 (E_RNA) where: Base-Base interactions energy: -1884.859 where: short stacking energy: -849.655 Base-Backbone interact. energy: -1.031 local terms energy: -805.775053 where: bonds (distance) C4'-P energy: -149.068 bonds (distance) P-C4' energy: -157.658 flat angles C4'-P-C4' energy: -172.800 flat angles P-C4'-P energy: -106.790 tors. eta vs tors. theta energy: -219.459 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: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2559.033261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.033261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.033261 (E_RNA) where: Base-Base interactions energy: -1772.406 where: short stacking energy: -787.514 Base-Backbone interact. energy: -0.268 local terms energy: -786.359046 where: bonds (distance) C4'-P energy: -146.962 bonds (distance) P-C4' energy: -164.371 flat angles C4'-P-C4' energy: -173.633 flat angles P-C4'-P energy: -101.947 tors. eta vs tors. theta energy: -199.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2214.732684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.732684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.732684 (E_RNA) where: Base-Base interactions energy: -1512.513 where: short stacking energy: -643.254 Base-Backbone interact. energy: -0.934 local terms energy: -701.285004 where: bonds (distance) C4'-P energy: -136.337 bonds (distance) P-C4' energy: -153.537 flat angles C4'-P-C4' energy: -170.680 flat angles P-C4'-P energy: -98.116 tors. eta vs tors. theta energy: -142.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1999.130044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.130044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.130044 (E_RNA) where: Base-Base interactions energy: -1333.059 where: short stacking energy: -605.645 Base-Backbone interact. energy: -2.882 local terms energy: -663.189059 where: bonds (distance) C4'-P energy: -146.558 bonds (distance) P-C4' energy: -145.338 flat angles C4'-P-C4' energy: -148.787 flat angles P-C4'-P energy: -93.363 tors. eta vs tors. theta energy: -129.143 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: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1593.587401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.587401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.587401 (E_RNA) where: Base-Base interactions energy: -1023.942 where: short stacking energy: -474.681 Base-Backbone interact. energy: 0.203 local terms energy: -569.849077 where: bonds (distance) C4'-P energy: -129.255 bonds (distance) P-C4' energy: -147.179 flat angles C4'-P-C4' energy: -153.375 flat angles P-C4'-P energy: -70.909 tors. eta vs tors. theta energy: -69.131 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: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3334.059547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3334.059547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3334.059547 (E_RNA) where: Base-Base interactions energy: -2367.028 where: short stacking energy: -978.038 Base-Backbone interact. energy: -2.217 local terms energy: -964.815340 where: bonds (distance) C4'-P energy: -177.043 bonds (distance) P-C4' energy: -194.000 flat angles C4'-P-C4' energy: -208.162 flat angles P-C4'-P energy: -145.061 tors. eta vs tors. theta energy: -240.549 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: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -3295.111020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.111020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.111020 (E_RNA) where: Base-Base interactions energy: -2359.646 where: short stacking energy: -995.079 Base-Backbone interact. energy: -1.701 local terms energy: -933.763981 where: bonds (distance) C4'-P energy: -171.259 bonds (distance) P-C4' energy: -169.184 flat angles C4'-P-C4' energy: -203.645 flat angles P-C4'-P energy: -136.131 tors. eta vs tors. theta energy: -253.544 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: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -3160.291658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.291658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.291658 (E_RNA) where: Base-Base interactions energy: -2224.585 where: short stacking energy: -896.512 Base-Backbone interact. energy: -2.608 local terms energy: -933.098856 where: bonds (distance) C4'-P energy: -177.873 bonds (distance) P-C4' energy: -168.947 flat angles C4'-P-C4' energy: -205.395 flat angles P-C4'-P energy: -138.029 tors. eta vs tors. theta energy: -242.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2964.685994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.685994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.685994 (E_RNA) where: Base-Base interactions energy: -2096.481 where: short stacking energy: -853.139 Base-Backbone interact. energy: -5.127 local terms energy: -863.078336 where: bonds (distance) C4'-P energy: -147.714 bonds (distance) P-C4' energy: -164.270 flat angles C4'-P-C4' energy: -187.736 flat angles P-C4'-P energy: -131.134 tors. eta vs tors. theta energy: -232.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2932.781452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.781452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.781452 (E_RNA) where: Base-Base interactions energy: -2043.162 where: short stacking energy: -867.410 Base-Backbone interact. energy: -3.066 local terms energy: -886.553654 where: bonds (distance) C4'-P energy: -156.180 bonds (distance) P-C4' energy: -163.131 flat angles C4'-P-C4' energy: -194.599 flat angles P-C4'-P energy: -122.627 tors. eta vs tors. theta energy: -250.016 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: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2695.628304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.628304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.628304 (E_RNA) where: Base-Base interactions energy: -1866.104 where: short stacking energy: -832.791 Base-Backbone interact. energy: -2.299 local terms energy: -827.225296 where: bonds (distance) C4'-P energy: -157.978 bonds (distance) P-C4' energy: -146.312 flat angles C4'-P-C4' energy: -193.835 flat angles P-C4'-P energy: -115.117 tors. eta vs tors. theta energy: -213.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2539.984174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.984174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.984174 (E_RNA) where: Base-Base interactions energy: -1793.034 where: short stacking energy: -776.245 Base-Backbone interact. energy: -3.813 local terms energy: -743.138101 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -164.424 flat angles C4'-P-C4' energy: -158.121 flat angles P-C4'-P energy: -97.750 tors. eta vs tors. theta energy: -178.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -2219.070823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.070823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.070823 (E_RNA) where: Base-Base interactions energy: -1552.062 where: short stacking energy: -652.704 Base-Backbone interact. energy: -1.499 local terms energy: -665.509225 where: bonds (distance) C4'-P energy: -126.629 bonds (distance) P-C4' energy: -144.218 flat angles C4'-P-C4' energy: -166.436 flat angles P-C4'-P energy: -107.883 tors. eta vs tors. theta energy: -120.344 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: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1953.790942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.790942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.790942 (E_RNA) where: Base-Base interactions energy: -1323.328 where: short stacking energy: -587.129 Base-Backbone interact. energy: 2.164 local terms energy: -632.626636 where: bonds (distance) C4'-P energy: -126.983 bonds (distance) P-C4' energy: -143.722 flat angles C4'-P-C4' energy: -140.185 flat angles P-C4'-P energy: -109.277 tors. eta vs tors. theta energy: -112.459 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: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1522.466132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.466132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.466132 (E_RNA) where: Base-Base interactions energy: -964.484 where: short stacking energy: -448.193 Base-Backbone interact. energy: -5.589 local terms energy: -552.393077 where: bonds (distance) C4'-P energy: -144.025 bonds (distance) P-C4' energy: -140.888 flat angles C4'-P-C4' energy: -122.529 flat angles P-C4'-P energy: -85.395 tors. eta vs tors. theta energy: -59.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3355.502355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3355.502355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3355.502355 (E_RNA) where: Base-Base interactions energy: -2376.114 where: short stacking energy: -961.883 Base-Backbone interact. energy: -1.448 local terms energy: -977.940678 where: bonds (distance) C4'-P energy: -180.588 bonds (distance) P-C4' energy: -184.421 flat angles C4'-P-C4' energy: -209.423 flat angles P-C4'-P energy: -145.991 tors. eta vs tors. theta energy: -257.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3264.114551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.114551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.114551 (E_RNA) where: Base-Base interactions energy: -2345.418 where: short stacking energy: -964.011 Base-Backbone interact. energy: -0.221 local terms energy: -918.475486 where: bonds (distance) C4'-P energy: -159.995 bonds (distance) P-C4' energy: -182.000 flat angles C4'-P-C4' energy: -197.366 flat angles P-C4'-P energy: -135.572 tors. eta vs tors. theta energy: -243.544 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: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -3180.783202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.783202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.783202 (E_RNA) where: Base-Base interactions energy: -2293.333 where: short stacking energy: -923.980 Base-Backbone interact. energy: -1.557 local terms energy: -885.893389 where: bonds (distance) C4'-P energy: -156.609 bonds (distance) P-C4' energy: -159.660 flat angles C4'-P-C4' energy: -199.599 flat angles P-C4'-P energy: -123.404 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: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2976.579579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.579579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.579579 (E_RNA) where: Base-Base interactions energy: -2117.094 where: short stacking energy: -850.109 Base-Backbone interact. energy: -1.455 local terms energy: -858.030725 where: bonds (distance) C4'-P energy: -162.714 bonds (distance) P-C4' energy: -160.470 flat angles C4'-P-C4' energy: -187.035 flat angles P-C4'-P energy: -117.066 tors. eta vs tors. theta energy: -230.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2861.010502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.010502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.010502 (E_RNA) where: Base-Base interactions energy: -2011.479 where: short stacking energy: -866.505 Base-Backbone interact. energy: -0.372 local terms energy: -849.159930 where: bonds (distance) C4'-P energy: -167.270 bonds (distance) P-C4' energy: -160.630 flat angles C4'-P-C4' energy: -199.240 flat angles P-C4'-P energy: -94.225 tors. eta vs tors. theta energy: -227.795 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: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2683.556334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.556334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.556334 (E_RNA) where: Base-Base interactions energy: -1855.497 where: short stacking energy: -802.459 Base-Backbone interact. energy: -0.833 local terms energy: -827.226507 where: bonds (distance) C4'-P energy: -163.464 bonds (distance) P-C4' energy: -157.002 flat angles C4'-P-C4' energy: -177.654 flat angles P-C4'-P energy: -121.953 tors. eta vs tors. theta energy: -207.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2580.391971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.391971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.391971 (E_RNA) where: Base-Base interactions energy: -1790.336 where: short stacking energy: -716.472 Base-Backbone interact. energy: -3.615 local terms energy: -786.440448 where: bonds (distance) C4'-P energy: -143.443 bonds (distance) P-C4' energy: -173.915 flat angles C4'-P-C4' energy: -181.676 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -175.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -2230.816770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.816770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.816770 (E_RNA) where: Base-Base interactions energy: -1532.449 where: short stacking energy: -674.272 Base-Backbone interact. energy: -1.173 local terms energy: -697.194120 where: bonds (distance) C4'-P energy: -123.781 bonds (distance) P-C4' energy: -150.344 flat angles C4'-P-C4' energy: -179.086 flat angles P-C4'-P energy: -98.273 tors. eta vs tors. theta energy: -145.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1990.332832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.332832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.332832 (E_RNA) where: Base-Base interactions energy: -1337.163 where: short stacking energy: -593.668 Base-Backbone interact. energy: -2.582 local terms energy: -650.587671 where: bonds (distance) C4'-P energy: -163.641 bonds (distance) P-C4' energy: -120.727 flat angles C4'-P-C4' energy: -151.334 flat angles P-C4'-P energy: -84.237 tors. eta vs tors. theta energy: -130.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1569.430213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.430213 (E_RNA) where: Base-Base interactions energy: -986.933 where: short stacking energy: -458.381 Base-Backbone interact. energy: -1.237 local terms energy: -581.260988 where: bonds (distance) C4'-P energy: -143.029 bonds (distance) P-C4' energy: -143.807 flat angles C4'-P-C4' energy: -131.789 flat angles P-C4'-P energy: -95.893 tors. eta vs tors. theta energy: -66.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3367.409851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.409851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.409851 (E_RNA) where: Base-Base interactions energy: -2383.511 where: short stacking energy: -976.489 Base-Backbone interact. energy: -4.357 local terms energy: -979.542464 where: bonds (distance) C4'-P energy: -185.087 bonds (distance) P-C4' energy: -183.939 flat angles C4'-P-C4' energy: -215.252 flat angles P-C4'-P energy: -135.055 tors. eta vs tors. theta energy: -260.209 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: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3306.640063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.640063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.640063 (E_RNA) where: Base-Base interactions energy: -2372.173 where: short stacking energy: -975.178 Base-Backbone interact. energy: 1.366 local terms energy: -935.833083 where: bonds (distance) C4'-P energy: -173.329 bonds (distance) P-C4' energy: -166.664 flat angles C4'-P-C4' energy: -199.051 flat angles P-C4'-P energy: -140.864 tors. eta vs tors. theta energy: -255.925 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: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -3167.337051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.337051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.337051 (E_RNA) where: Base-Base interactions energy: -2270.474 where: short stacking energy: -899.002 Base-Backbone interact. energy: -0.013 local terms energy: -896.850206 where: bonds (distance) C4'-P energy: -167.517 bonds (distance) P-C4' energy: -167.008 flat angles C4'-P-C4' energy: -197.003 flat angles P-C4'-P energy: -123.000 tors. eta vs tors. theta energy: -242.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -2973.166403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.166403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.166403 (E_RNA) where: Base-Base interactions energy: -2111.252 where: short stacking energy: -884.076 Base-Backbone interact. energy: -2.319 local terms energy: -859.595181 where: bonds (distance) C4'-P energy: -154.634 bonds (distance) P-C4' energy: -173.330 flat angles C4'-P-C4' energy: -183.891 flat angles P-C4'-P energy: -118.139 tors. eta vs tors. theta energy: -229.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2889.023382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.023382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.023382 (E_RNA) where: Base-Base interactions energy: -2025.018 where: short stacking energy: -886.102 Base-Backbone interact. energy: 0.107 local terms energy: -864.111747 where: bonds (distance) C4'-P energy: -155.340 bonds (distance) P-C4' energy: -159.334 flat angles C4'-P-C4' energy: -186.567 flat angles P-C4'-P energy: -128.004 tors. eta vs tors. theta energy: -234.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2618.324786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.324786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.324786 (E_RNA) where: Base-Base interactions energy: -1809.434 where: short stacking energy: -810.614 Base-Backbone interact. energy: -2.927 local terms energy: -805.963791 where: bonds (distance) C4'-P energy: -165.588 bonds (distance) P-C4' energy: -147.331 flat angles C4'-P-C4' energy: -170.074 flat angles P-C4'-P energy: -107.711 tors. eta vs tors. theta energy: -215.259 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: 243 Temperature: 1.200000 Total energy: -2568.928671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.928671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.928671 (E_RNA) where: Base-Base interactions energy: -1772.261 where: short stacking energy: -758.806 Base-Backbone interact. energy: 1.520 local terms energy: -798.188269 where: bonds (distance) C4'-P energy: -141.812 bonds (distance) P-C4' energy: -170.253 flat angles C4'-P-C4' energy: -187.055 flat angles P-C4'-P energy: -115.939 tors. eta vs tors. theta energy: -183.130 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: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -2307.612795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.612795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.612795 (E_RNA) where: Base-Base interactions energy: -1570.507 where: short stacking energy: -701.165 Base-Backbone interact. energy: -0.103 local terms energy: -737.002884 where: bonds (distance) C4'-P energy: -159.781 bonds (distance) P-C4' energy: -148.133 flat angles C4'-P-C4' energy: -186.810 flat angles P-C4'-P energy: -100.367 tors. eta vs tors. theta energy: -141.912 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1976.486943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.486943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.486943 (E_RNA) where: Base-Base interactions energy: -1321.211 where: short stacking energy: -589.814 Base-Backbone interact. energy: 0.755 local terms energy: -656.031257 where: bonds (distance) C4'-P energy: -106.505 bonds (distance) P-C4' energy: -145.727 flat angles C4'-P-C4' energy: -176.612 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -121.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1516.439548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.439548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.439548 (E_RNA) where: Base-Base interactions energy: -1013.262 where: short stacking energy: -470.370 Base-Backbone interact. energy: 1.817 local terms energy: -504.994949 where: bonds (distance) C4'-P energy: -126.680 bonds (distance) P-C4' energy: -112.368 flat angles C4'-P-C4' energy: -144.788 flat angles P-C4'-P energy: -71.927 tors. eta vs tors. theta energy: -49.232 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: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3328.547853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.547853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.547853 (E_RNA) where: Base-Base interactions energy: -2363.112 where: short stacking energy: -976.497 Base-Backbone interact. energy: -3.162 local terms energy: -962.273294 where: bonds (distance) C4'-P energy: -167.971 bonds (distance) P-C4' energy: -175.055 flat angles C4'-P-C4' energy: -218.802 flat angles P-C4'-P energy: -140.974 tors. eta vs tors. theta energy: -259.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -3309.409154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.409154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.409154 (E_RNA) where: Base-Base interactions energy: -2347.975 where: short stacking energy: -972.527 Base-Backbone interact. energy: -3.588 local terms energy: -957.846363 where: bonds (distance) C4'-P energy: -178.627 bonds (distance) P-C4' energy: -190.970 flat angles C4'-P-C4' energy: -207.854 flat angles P-C4'-P energy: -137.252 tors. eta vs tors. theta energy: -243.144 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: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -3152.994980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.994980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.994980 (E_RNA) where: Base-Base interactions energy: -2259.747 where: short stacking energy: -924.155 Base-Backbone interact. energy: -5.916 local terms energy: -887.332366 where: bonds (distance) C4'-P energy: -156.221 bonds (distance) P-C4' energy: -185.793 flat angles C4'-P-C4' energy: -194.965 flat angles P-C4'-P energy: -115.083 tors. eta vs tors. theta energy: -235.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -3012.828208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.828208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.828208 (E_RNA) where: Base-Base interactions energy: -2113.797 where: short stacking energy: -883.667 Base-Backbone interact. energy: -3.368 local terms energy: -895.662793 where: bonds (distance) C4'-P energy: -161.239 bonds (distance) P-C4' energy: -167.488 flat angles C4'-P-C4' energy: -196.056 flat angles P-C4'-P energy: -132.763 tors. eta vs tors. theta energy: -238.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2893.343404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.343404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.343404 (E_RNA) where: Base-Base interactions energy: -2025.041 where: short stacking energy: -877.324 Base-Backbone interact. energy: -5.221 local terms energy: -863.080578 where: bonds (distance) C4'-P energy: -143.564 bonds (distance) P-C4' energy: -174.675 flat angles C4'-P-C4' energy: -194.346 flat angles P-C4'-P energy: -120.670 tors. eta vs tors. theta energy: -229.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2713.291711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.291711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.291711 (E_RNA) where: Base-Base interactions energy: -1831.991 where: short stacking energy: -800.016 Base-Backbone interact. energy: -4.583 local terms energy: -876.717086 where: bonds (distance) C4'-P energy: -169.331 bonds (distance) P-C4' energy: -170.120 flat angles C4'-P-C4' energy: -192.125 flat angles P-C4'-P energy: -125.499 tors. eta vs tors. theta energy: -219.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2490.447294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.447294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.447294 (E_RNA) where: Base-Base interactions energy: -1757.568 where: short stacking energy: -681.619 Base-Backbone interact. energy: 6.081 local terms energy: -738.961202 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -156.078 flat angles C4'-P-C4' energy: -171.086 flat angles P-C4'-P energy: -100.228 tors. eta vs tors. theta energy: -159.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2302.677210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.677210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.677210 (E_RNA) where: Base-Base interactions energy: -1568.789 where: short stacking energy: -682.153 Base-Backbone interact. energy: -3.973 local terms energy: -729.914592 where: bonds (distance) C4'-P energy: -148.087 bonds (distance) P-C4' energy: -153.780 flat angles C4'-P-C4' energy: -156.878 flat angles P-C4'-P energy: -112.151 tors. eta vs tors. theta energy: -159.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1891.053290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.053290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.053290 (E_RNA) where: Base-Base interactions energy: -1243.777 where: short stacking energy: -591.759 Base-Backbone interact. energy: -2.003 local terms energy: -645.273323 where: bonds (distance) C4'-P energy: -147.077 bonds (distance) P-C4' energy: -129.420 flat angles C4'-P-C4' energy: -152.869 flat angles P-C4'-P energy: -99.319 tors. eta vs tors. theta energy: -116.588 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: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1467.746965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.746965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.746965 (E_RNA) where: Base-Base interactions energy: -879.440 where: short stacking energy: -396.736 Base-Backbone interact. energy: 2.969 local terms energy: -591.275913 where: bonds (distance) C4'-P energy: -136.240 bonds (distance) P-C4' energy: -165.822 flat angles C4'-P-C4' energy: -136.647 flat angles P-C4'-P energy: -95.807 tors. eta vs tors. theta energy: -56.760 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: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3354.960777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.960777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.960777 (E_RNA) where: Base-Base interactions energy: -2385.290 where: short stacking energy: -1006.401 Base-Backbone interact. energy: -4.509 local terms energy: -965.161058 where: bonds (distance) C4'-P energy: -178.027 bonds (distance) P-C4' energy: -180.561 flat angles C4'-P-C4' energy: -219.927 flat angles P-C4'-P energy: -123.734 tors. eta vs tors. theta energy: -262.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -3239.399202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.399202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.399202 (E_RNA) where: Base-Base interactions energy: -2297.662 where: short stacking energy: -960.992 Base-Backbone interact. energy: -3.318 local terms energy: -938.419397 where: bonds (distance) C4'-P energy: -183.039 bonds (distance) P-C4' energy: -183.665 flat angles C4'-P-C4' energy: -192.532 flat angles P-C4'-P energy: -136.353 tors. eta vs tors. theta energy: -242.830 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: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -3173.734573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.734573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.734573 (E_RNA) where: Base-Base interactions energy: -2252.522 where: short stacking energy: -924.450 Base-Backbone interact. energy: -3.941 local terms energy: -917.271538 where: bonds (distance) C4'-P energy: -165.981 bonds (distance) P-C4' energy: -178.674 flat angles C4'-P-C4' energy: -207.713 flat angles P-C4'-P energy: -134.136 tors. eta vs tors. theta energy: -230.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -3021.832500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.832500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.832500 (E_RNA) where: Base-Base interactions energy: -2123.715 where: short stacking energy: -852.793 Base-Backbone interact. energy: -5.693 local terms energy: -892.424631 where: bonds (distance) C4'-P energy: -168.714 bonds (distance) P-C4' energy: -181.350 flat angles C4'-P-C4' energy: -188.692 flat angles P-C4'-P energy: -122.733 tors. eta vs tors. theta energy: -230.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2926.112265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.112265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.112265 (E_RNA) where: Base-Base interactions energy: -2045.691 where: short stacking energy: -861.536 Base-Backbone interact. energy: -6.510 local terms energy: -873.911156 where: bonds (distance) C4'-P energy: -145.174 bonds (distance) P-C4' energy: -174.085 flat angles C4'-P-C4' energy: -197.889 flat angles P-C4'-P energy: -118.901 tors. eta vs tors. theta energy: -237.862 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: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2726.395677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.395677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.395677 (E_RNA) where: Base-Base interactions energy: -1903.450 where: short stacking energy: -808.823 Base-Backbone interact. energy: -1.087 local terms energy: -821.858954 where: bonds (distance) C4'-P energy: -141.516 bonds (distance) P-C4' energy: -163.050 flat angles C4'-P-C4' energy: -189.288 flat angles P-C4'-P energy: -112.379 tors. eta vs tors. theta energy: -215.625 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: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2517.152500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.152500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.152500 (E_RNA) where: Base-Base interactions energy: -1757.565 where: short stacking energy: -737.029 Base-Backbone interact. energy: -5.181 local terms energy: -754.406553 where: bonds (distance) C4'-P energy: -147.978 bonds (distance) P-C4' energy: -144.279 flat angles C4'-P-C4' energy: -186.436 flat angles P-C4'-P energy: -106.516 tors. eta vs tors. theta energy: -169.198 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: 8, replica: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2324.090106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.090106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.090106 (E_RNA) where: Base-Base interactions energy: -1622.748 where: short stacking energy: -672.060 Base-Backbone interact. energy: -2.034 local terms energy: -699.308390 where: bonds (distance) C4'-P energy: -138.547 bonds (distance) P-C4' energy: -146.633 flat angles C4'-P-C4' energy: -159.763 flat angles P-C4'-P energy: -89.076 tors. eta vs tors. theta energy: -165.290 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: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -2007.953739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.953739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.953739 (E_RNA) where: Base-Base interactions energy: -1314.196 where: short stacking energy: -612.940 Base-Backbone interact. energy: -2.490 local terms energy: -691.268179 where: bonds (distance) C4'-P energy: -125.926 bonds (distance) P-C4' energy: -184.068 flat angles C4'-P-C4' energy: -166.662 flat angles P-C4'-P energy: -80.786 tors. eta vs tors. theta energy: -133.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1491.898313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.898313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.898313 (E_RNA) where: Base-Base interactions energy: -943.229 where: short stacking energy: -414.598 Base-Backbone interact. energy: -5.175 local terms energy: -543.494835 where: bonds (distance) C4'-P energy: -127.985 bonds (distance) P-C4' energy: -165.607 flat angles C4'-P-C4' energy: -138.670 flat angles P-C4'-P energy: -73.669 tors. eta vs tors. theta energy: -37.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3349.464820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.464820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.464820 (E_RNA) where: Base-Base interactions energy: -2362.182 where: short stacking energy: -980.233 Base-Backbone interact. energy: -4.985 local terms energy: -982.297764 where: bonds (distance) C4'-P energy: -166.798 bonds (distance) P-C4' energy: -197.788 flat angles C4'-P-C4' energy: -205.293 flat angles P-C4'-P energy: -147.512 tors. eta vs tors. theta energy: -264.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -3305.127703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.127703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.127703 (E_RNA) where: Base-Base interactions energy: -2373.263 where: short stacking energy: -1003.203 Base-Backbone interact. energy: 1.088 local terms energy: -932.952679 where: bonds (distance) C4'-P energy: -184.011 bonds (distance) P-C4' energy: -166.550 flat angles C4'-P-C4' energy: -199.770 flat angles P-C4'-P energy: -128.599 tors. eta vs tors. theta energy: -254.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -3198.982341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.982341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.982341 (E_RNA) where: Base-Base interactions energy: -2313.027 where: short stacking energy: -939.494 Base-Backbone interact. energy: -5.116 local terms energy: -880.838846 where: bonds (distance) C4'-P energy: -157.453 bonds (distance) P-C4' energy: -165.893 flat angles C4'-P-C4' energy: -200.478 flat angles P-C4'-P energy: -123.506 tors. eta vs tors. theta energy: -233.509 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -2968.881455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.881455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.881455 (E_RNA) where: Base-Base interactions energy: -2088.444 where: short stacking energy: -869.099 Base-Backbone interact. energy: -2.654 local terms energy: -877.783488 where: bonds (distance) C4'-P energy: -182.853 bonds (distance) P-C4' energy: -177.897 flat angles C4'-P-C4' energy: -168.724 flat angles P-C4'-P energy: -120.947 tors. eta vs tors. theta energy: -227.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2942.664050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.664050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.664050 (E_RNA) where: Base-Base interactions energy: -2063.038 where: short stacking energy: -895.874 Base-Backbone interact. energy: -3.491 local terms energy: -876.135000 where: bonds (distance) C4'-P energy: -160.392 bonds (distance) P-C4' energy: -171.657 flat angles C4'-P-C4' energy: -180.035 flat angles P-C4'-P energy: -111.398 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: 6, replica: 1 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2707.162839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.162839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.162839 (E_RNA) where: Base-Base interactions energy: -1869.073 where: short stacking energy: -845.429 Base-Backbone interact. energy: -4.390 local terms energy: -833.699206 where: bonds (distance) C4'-P energy: -147.193 bonds (distance) P-C4' energy: -161.837 flat angles C4'-P-C4' energy: -185.831 flat angles P-C4'-P energy: -106.800 tors. eta vs tors. theta energy: -232.038 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: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2608.583393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.583393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.583393 (E_RNA) where: Base-Base interactions energy: -1849.295 where: short stacking energy: -779.012 Base-Backbone interact. energy: -2.452 local terms energy: -756.837162 where: bonds (distance) C4'-P energy: -147.440 bonds (distance) P-C4' energy: -169.595 flat angles C4'-P-C4' energy: -165.363 flat angles P-C4'-P energy: -111.742 tors. eta vs tors. theta energy: -162.697 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: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2373.432973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.432973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.432973 (E_RNA) where: Base-Base interactions energy: -1600.825 where: short stacking energy: -717.122 Base-Backbone interact. energy: -4.568 local terms energy: -768.040601 where: bonds (distance) C4'-P energy: -146.120 bonds (distance) P-C4' energy: -163.681 flat angles C4'-P-C4' energy: -160.279 flat angles P-C4'-P energy: -115.975 tors. eta vs tors. theta energy: -181.986 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: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1964.602511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1964.602511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1964.602511 (E_RNA) where: Base-Base interactions energy: -1322.698 where: short stacking energy: -592.976 Base-Backbone interact. energy: 0.714 local terms energy: -642.618918 where: bonds (distance) C4'-P energy: -132.150 bonds (distance) P-C4' energy: -149.796 flat angles C4'-P-C4' energy: -150.608 flat angles P-C4'-P energy: -91.994 tors. eta vs tors. theta energy: -118.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1499.326511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.326511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.326511 (E_RNA) where: Base-Base interactions energy: -952.046 where: short stacking energy: -422.475 Base-Backbone interact. energy: 2.888 local terms energy: -550.168768 where: bonds (distance) C4'-P energy: -142.431 bonds (distance) P-C4' energy: -122.612 flat angles C4'-P-C4' energy: -145.268 flat angles P-C4'-P energy: -84.539 tors. eta vs tors. theta energy: -55.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3348.453765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.453765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.453765 (E_RNA) where: Base-Base interactions energy: -2346.825 where: short stacking energy: -968.068 Base-Backbone interact. energy: -3.846 local terms energy: -997.782706 where: bonds (distance) C4'-P energy: -179.606 bonds (distance) P-C4' energy: -198.717 flat angles C4'-P-C4' energy: -211.878 flat angles P-C4'-P energy: -145.361 tors. eta vs tors. theta energy: -262.221 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: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -3281.170829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.170829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.170829 (E_RNA) where: Base-Base interactions energy: -2323.433 where: short stacking energy: -969.811 Base-Backbone interact. energy: -0.383 local terms energy: -957.354652 where: bonds (distance) C4'-P energy: -174.117 bonds (distance) P-C4' energy: -173.842 flat angles C4'-P-C4' energy: -203.888 flat angles P-C4'-P energy: -145.862 tors. eta vs tors. theta energy: -259.645 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: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -3185.540734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.540734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.540734 (E_RNA) where: Base-Base interactions energy: -2252.987 where: short stacking energy: -904.632 Base-Backbone interact. energy: -4.228 local terms energy: -928.325408 where: bonds (distance) C4'-P energy: -163.943 bonds (distance) P-C4' energy: -169.605 flat angles C4'-P-C4' energy: -202.873 flat angles P-C4'-P energy: -138.683 tors. eta vs tors. theta energy: -253.221 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: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2950.762800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.762800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.762800 (E_RNA) where: Base-Base interactions energy: -2045.508 where: short stacking energy: -843.553 Base-Backbone interact. energy: -4.023 local terms energy: -901.231835 where: bonds (distance) C4'-P energy: -171.856 bonds (distance) P-C4' energy: -176.138 flat angles C4'-P-C4' energy: -200.949 flat angles P-C4'-P energy: -120.079 tors. eta vs tors. theta energy: -232.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2877.514538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.514538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.514538 (E_RNA) where: Base-Base interactions energy: -1993.263 where: short stacking energy: -874.921 Base-Backbone interact. energy: -1.016 local terms energy: -883.236169 where: bonds (distance) C4'-P energy: -158.367 bonds (distance) P-C4' energy: -149.362 flat angles C4'-P-C4' energy: -211.927 flat angles P-C4'-P energy: -118.934 tors. eta vs tors. theta energy: -244.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2689.879201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.879201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.879201 (E_RNA) where: Base-Base interactions energy: -1838.974 where: short stacking energy: -857.534 Base-Backbone interact. energy: 2.918 local terms energy: -853.822959 where: bonds (distance) C4'-P energy: -163.075 bonds (distance) P-C4' energy: -154.887 flat angles C4'-P-C4' energy: -187.505 flat angles P-C4'-P energy: -120.903 tors. eta vs tors. theta energy: -227.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2532.593916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.593916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.593916 (E_RNA) where: Base-Base interactions energy: -1788.733 where: short stacking energy: -762.340 Base-Backbone interact. energy: 11.338 local terms energy: -755.199634 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -150.285 flat angles C4'-P-C4' energy: -166.833 flat angles P-C4'-P energy: -106.721 tors. eta vs tors. theta energy: -190.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -2340.246826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.246826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.246826 (E_RNA) where: Base-Base interactions energy: -1630.681 where: short stacking energy: -695.418 Base-Backbone interact. energy: 3.084 local terms energy: -712.650112 where: bonds (distance) C4'-P energy: -146.690 bonds (distance) P-C4' energy: -147.374 flat angles C4'-P-C4' energy: -160.391 flat angles P-C4'-P energy: -93.846 tors. eta vs tors. theta energy: -164.349 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: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1932.716984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.716984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.716984 (E_RNA) where: Base-Base interactions energy: -1270.113 where: short stacking energy: -562.108 Base-Backbone interact. energy: 1.907 local terms energy: -664.510464 where: bonds (distance) C4'-P energy: -149.047 bonds (distance) P-C4' energy: -171.309 flat angles C4'-P-C4' energy: -141.928 flat angles P-C4'-P energy: -78.609 tors. eta vs tors. theta energy: -123.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1494.314168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.314168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.314168 (E_RNA) where: Base-Base interactions energy: -950.644 where: short stacking energy: -409.033 Base-Backbone interact. energy: -2.491 local terms energy: -541.179143 where: bonds (distance) C4'-P energy: -113.142 bonds (distance) P-C4' energy: -148.222 flat angles C4'-P-C4' energy: -141.150 flat angles P-C4'-P energy: -112.848 tors. eta vs tors. theta energy: -25.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3329.772196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.772196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.772196 (E_RNA) where: Base-Base interactions energy: -2361.470 where: short stacking energy: -963.612 Base-Backbone interact. energy: -0.391 local terms energy: -967.911795 where: bonds (distance) C4'-P energy: -175.434 bonds (distance) P-C4' energy: -177.348 flat angles C4'-P-C4' energy: -198.610 flat angles P-C4'-P energy: -147.324 tors. eta vs tors. theta energy: -269.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3269.186939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.186939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.186939 (E_RNA) where: Base-Base interactions energy: -2336.054 where: short stacking energy: -945.870 Base-Backbone interact. energy: 5.728 local terms energy: -938.860690 where: bonds (distance) C4'-P energy: -159.601 bonds (distance) P-C4' energy: -177.304 flat angles C4'-P-C4' energy: -211.136 flat angles P-C4'-P energy: -148.305 tors. eta vs tors. theta energy: -242.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -3183.323529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.323529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.323529 (E_RNA) where: Base-Base interactions energy: -2328.930 where: short stacking energy: -953.133 Base-Backbone interact. energy: -5.140 local terms energy: -849.253934 where: bonds (distance) C4'-P energy: -150.672 bonds (distance) P-C4' energy: -160.214 flat angles C4'-P-C4' energy: -181.629 flat angles P-C4'-P energy: -120.608 tors. eta vs tors. theta energy: -236.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -2954.211436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.211436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.211436 (E_RNA) where: Base-Base interactions energy: -2070.163 where: short stacking energy: -863.672 Base-Backbone interact. energy: 3.774 local terms energy: -887.821930 where: bonds (distance) C4'-P energy: -172.033 bonds (distance) P-C4' energy: -179.488 flat angles C4'-P-C4' energy: -196.777 flat angles P-C4'-P energy: -117.143 tors. eta vs tors. theta energy: -222.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2918.196345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.196345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.196345 (E_RNA) where: Base-Base interactions energy: -2023.131 where: short stacking energy: -892.873 Base-Backbone interact. energy: -2.855 local terms energy: -892.210547 where: bonds (distance) C4'-P energy: -158.863 bonds (distance) P-C4' energy: -165.362 flat angles C4'-P-C4' energy: -196.578 flat angles P-C4'-P energy: -129.780 tors. eta vs tors. theta energy: -241.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2751.584289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.584289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.584289 (E_RNA) where: Base-Base interactions energy: -1933.146 where: short stacking energy: -842.063 Base-Backbone interact. energy: -0.232 local terms energy: -818.206434 where: bonds (distance) C4'-P energy: -131.519 bonds (distance) P-C4' energy: -179.710 flat angles C4'-P-C4' energy: -172.099 flat angles P-C4'-P energy: -109.236 tors. eta vs tors. theta energy: -225.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2485.913686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.913686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.913686 (E_RNA) where: Base-Base interactions energy: -1681.940 where: short stacking energy: -722.541 Base-Backbone interact. energy: 0.973 local terms energy: -804.946016 where: bonds (distance) C4'-P energy: -157.854 bonds (distance) P-C4' energy: -168.575 flat angles C4'-P-C4' energy: -181.457 flat angles P-C4'-P energy: -109.096 tors. eta vs tors. theta energy: -187.963 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: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -2362.966542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.966542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.966542 (E_RNA) where: Base-Base interactions energy: -1620.809 where: short stacking energy: -694.503 Base-Backbone interact. energy: 3.988 local terms energy: -746.145346 where: bonds (distance) C4'-P energy: -147.560 bonds (distance) P-C4' energy: -151.903 flat angles C4'-P-C4' energy: -165.939 flat angles P-C4'-P energy: -118.568 tors. eta vs tors. theta energy: -162.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -2025.979085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.979085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.979085 (E_RNA) where: Base-Base interactions energy: -1401.255 where: short stacking energy: -592.551 Base-Backbone interact. energy: -0.677 local terms energy: -624.046856 where: bonds (distance) C4'-P energy: -151.366 bonds (distance) P-C4' energy: -133.514 flat angles C4'-P-C4' energy: -149.346 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -104.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1555.859325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.859325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.859325 (E_RNA) where: Base-Base interactions energy: -983.924 where: short stacking energy: -433.327 Base-Backbone interact. energy: 2.645 local terms energy: -574.579603 where: bonds (distance) C4'-P energy: -146.907 bonds (distance) P-C4' energy: -157.650 flat angles C4'-P-C4' energy: -137.268 flat angles P-C4'-P energy: -78.804 tors. eta vs tors. theta energy: -53.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3324.635689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.635689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.635689 (E_RNA) where: Base-Base interactions energy: -2364.761 where: short stacking energy: -956.913 Base-Backbone interact. energy: -4.184 local terms energy: -955.690337 where: bonds (distance) C4'-P energy: -173.381 bonds (distance) P-C4' energy: -186.245 flat angles C4'-P-C4' energy: -212.097 flat angles P-C4'-P energy: -137.007 tors. eta vs tors. theta energy: -246.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -3313.104466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.104466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.104466 (E_RNA) where: Base-Base interactions energy: -2349.561 where: short stacking energy: -972.656 Base-Backbone interact. energy: -0.751 local terms energy: -962.792354 where: bonds (distance) C4'-P energy: -163.255 bonds (distance) P-C4' energy: -190.527 flat angles C4'-P-C4' energy: -203.973 flat angles P-C4'-P energy: -151.260 tors. eta vs tors. theta energy: -253.778 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: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -3201.217543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.217543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.217543 (E_RNA) where: Base-Base interactions energy: -2281.647 where: short stacking energy: -946.005 Base-Backbone interact. energy: -0.723 local terms energy: -918.847516 where: bonds (distance) C4'-P energy: -181.835 bonds (distance) P-C4' energy: -165.610 flat angles C4'-P-C4' energy: -202.540 flat angles P-C4'-P energy: -123.719 tors. eta vs tors. theta energy: -245.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2955.229144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.229144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.229144 (E_RNA) where: Base-Base interactions energy: -2093.840 where: short stacking energy: -842.878 Base-Backbone interact. energy: -1.513 local terms energy: -859.875774 where: bonds (distance) C4'-P energy: -156.241 bonds (distance) P-C4' energy: -165.746 flat angles C4'-P-C4' energy: -199.568 flat angles P-C4'-P energy: -116.530 tors. eta vs tors. theta energy: -221.790 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: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2905.346726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.346726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.346726 (E_RNA) where: Base-Base interactions energy: -2039.424 where: short stacking energy: -900.539 Base-Backbone interact. energy: -2.037 local terms energy: -863.885042 where: bonds (distance) C4'-P energy: -176.428 bonds (distance) P-C4' energy: -158.354 flat angles C4'-P-C4' energy: -171.892 flat angles P-C4'-P energy: -110.172 tors. eta vs tors. theta energy: -247.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2743.004123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.004123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.004123 (E_RNA) where: Base-Base interactions energy: -1887.098 where: short stacking energy: -834.773 Base-Backbone interact. energy: -1.020 local terms energy: -854.885658 where: bonds (distance) C4'-P energy: -151.781 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -193.896 flat angles P-C4'-P energy: -121.758 tors. eta vs tors. theta energy: -224.366 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2520.050971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.050971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.050971 (E_RNA) where: Base-Base interactions energy: -1751.762 where: short stacking energy: -761.382 Base-Backbone interact. energy: -0.045 local terms energy: -768.244361 where: bonds (distance) C4'-P energy: -134.929 bonds (distance) P-C4' energy: -146.805 flat angles C4'-P-C4' energy: -186.094 flat angles P-C4'-P energy: -114.952 tors. eta vs tors. theta energy: -185.464 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: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2376.645679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.645679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.645679 (E_RNA) where: Base-Base interactions energy: -1608.491 where: short stacking energy: -694.354 Base-Backbone interact. energy: -1.495 local terms energy: -766.659891 where: bonds (distance) C4'-P energy: -150.400 bonds (distance) P-C4' energy: -150.994 flat angles C4'-P-C4' energy: -164.936 flat angles P-C4'-P energy: -124.486 tors. eta vs tors. theta energy: -175.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -2034.292363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.292363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.292363 (E_RNA) where: Base-Base interactions energy: -1426.284 where: short stacking energy: -640.600 Base-Backbone interact. energy: 6.419 local terms energy: -614.427768 where: bonds (distance) C4'-P energy: -148.365 bonds (distance) P-C4' energy: -106.100 flat angles C4'-P-C4' energy: -151.723 flat angles P-C4'-P energy: -94.293 tors. eta vs tors. theta energy: -113.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1576.085575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.085575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.085575 (E_RNA) where: Base-Base interactions energy: -1002.800 where: short stacking energy: -472.536 Base-Backbone interact. energy: 4.810 local terms energy: -578.096123 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -140.339 flat angles C4'-P-C4' energy: -133.117 flat angles P-C4'-P energy: -97.850 tors. eta vs tors. theta energy: -63.765 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: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3319.217172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.217172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.217172 (E_RNA) where: Base-Base interactions energy: -2355.674 where: short stacking energy: -959.090 Base-Backbone interact. energy: -6.007 local terms energy: -957.536709 where: bonds (distance) C4'-P energy: -180.711 bonds (distance) P-C4' energy: -187.568 flat angles C4'-P-C4' energy: -200.686 flat angles P-C4'-P energy: -127.140 tors. eta vs tors. theta energy: -261.432 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: 5 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -3255.856287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.856287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.856287 (E_RNA) where: Base-Base interactions energy: -2303.594 where: short stacking energy: -942.836 Base-Backbone interact. energy: -4.824 local terms energy: -947.437794 where: bonds (distance) C4'-P energy: -185.062 bonds (distance) P-C4' energy: -171.208 flat angles C4'-P-C4' energy: -207.273 flat angles P-C4'-P energy: -132.456 tors. eta vs tors. theta energy: -251.438 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: 6 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -3186.007958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.007958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.007958 (E_RNA) where: Base-Base interactions energy: -2268.574 where: short stacking energy: -901.736 Base-Backbone interact. energy: -2.716 local terms energy: -914.718542 where: bonds (distance) C4'-P energy: -162.364 bonds (distance) P-C4' energy: -164.797 flat angles C4'-P-C4' energy: -214.245 flat angles P-C4'-P energy: -137.440 tors. eta vs tors. theta energy: -235.872 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2942.234650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.234650 (E_RNA) where: Base-Base interactions energy: -2082.690 where: short stacking energy: -876.512 Base-Backbone interact. energy: -4.101 local terms energy: -855.443635 where: bonds (distance) C4'-P energy: -158.622 bonds (distance) P-C4' energy: -164.342 flat angles C4'-P-C4' energy: -199.298 flat angles P-C4'-P energy: -116.622 tors. eta vs tors. theta energy: -216.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2960.014598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.014598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.014598 (E_RNA) where: Base-Base interactions energy: -2058.788 where: short stacking energy: -905.931 Base-Backbone interact. energy: -0.519 local terms energy: -900.707115 where: bonds (distance) C4'-P energy: -156.932 bonds (distance) P-C4' energy: -162.768 flat angles C4'-P-C4' energy: -207.363 flat angles P-C4'-P energy: -126.763 tors. eta vs tors. theta energy: -246.881 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: 1 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -2682.437091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.437091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.437091 (E_RNA) where: Base-Base interactions energy: -1870.554 where: short stacking energy: -812.611 Base-Backbone interact. energy: -1.415 local terms energy: -810.468823 where: bonds (distance) C4'-P energy: -143.292 bonds (distance) P-C4' energy: -168.653 flat angles C4'-P-C4' energy: -194.377 flat angles P-C4'-P energy: -95.058 tors. eta vs tors. theta energy: -209.089 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: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2566.964429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.964429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.964429 (E_RNA) where: Base-Base interactions energy: -1770.193 where: short stacking energy: -753.319 Base-Backbone interact. energy: 0.594 local terms energy: -797.364594 where: bonds (distance) C4'-P energy: -146.314 bonds (distance) P-C4' energy: -157.680 flat angles C4'-P-C4' energy: -189.201 flat angles P-C4'-P energy: -114.949 tors. eta vs tors. theta energy: -189.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -2306.632242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.632242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.632242 (E_RNA) where: Base-Base interactions energy: -1588.907 where: short stacking energy: -699.127 Base-Backbone interact. energy: -0.985 local terms energy: -716.740214 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -172.997 flat angles C4'-P-C4' energy: -154.908 flat angles P-C4'-P energy: -90.835 tors. eta vs tors. theta energy: -161.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -2031.852931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.852931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.852931 (E_RNA) where: Base-Base interactions energy: -1392.736 where: short stacking energy: -611.550 Base-Backbone interact. energy: -0.085 local terms energy: -639.031899 where: bonds (distance) C4'-P energy: -123.778 bonds (distance) P-C4' energy: -127.676 flat angles C4'-P-C4' energy: -150.739 flat angles P-C4'-P energy: -99.320 tors. eta vs tors. theta energy: -137.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1610.874527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.874527 (E_RNA) where: Base-Base interactions energy: -1042.622 where: short stacking energy: -482.860 Base-Backbone interact. energy: 2.530 local terms energy: -570.782448 where: bonds (distance) C4'-P energy: -134.038 bonds (distance) P-C4' energy: -138.399 flat angles C4'-P-C4' energy: -136.231 flat angles P-C4'-P energy: -93.259 tors. eta vs tors. theta energy: -68.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3305.969538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.969538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.969538 (E_RNA) where: Base-Base interactions energy: -2340.710 where: short stacking energy: -947.727 Base-Backbone interact. energy: -4.842 local terms energy: -960.417170 where: bonds (distance) C4'-P energy: -178.401 bonds (distance) P-C4' energy: -178.466 flat angles C4'-P-C4' energy: -215.373 flat angles P-C4'-P energy: -136.255 tors. eta vs tors. theta energy: -251.922 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: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -3218.245265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.245265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.245265 (E_RNA) where: Base-Base interactions energy: -2319.880 where: short stacking energy: -977.761 Base-Backbone interact. energy: 0.728 local terms energy: -899.092546 where: bonds (distance) C4'-P energy: -165.458 bonds (distance) P-C4' energy: -165.200 flat angles C4'-P-C4' energy: -195.409 flat angles P-C4'-P energy: -123.918 tors. eta vs tors. theta energy: -249.107 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: 6 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -3165.811885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.811885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.811885 (E_RNA) where: Base-Base interactions energy: -2283.882 where: short stacking energy: -889.596 Base-Backbone interact. energy: -2.400 local terms energy: -879.529347 where: bonds (distance) C4'-P energy: -147.600 bonds (distance) P-C4' energy: -179.210 flat angles C4'-P-C4' energy: -188.049 flat angles P-C4'-P energy: -128.070 tors. eta vs tors. theta energy: -236.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2929.979936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.979936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.979936 (E_RNA) where: Base-Base interactions energy: -2025.180 where: short stacking energy: -834.978 Base-Backbone interact. energy: -3.983 local terms energy: -900.817247 where: bonds (distance) C4'-P energy: -176.013 bonds (distance) P-C4' energy: -185.443 flat angles C4'-P-C4' energy: -191.047 flat angles P-C4'-P energy: -138.908 tors. eta vs tors. theta energy: -209.407 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: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -2907.628645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.628645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.628645 (E_RNA) where: Base-Base interactions energy: -2038.017 where: short stacking energy: -885.428 Base-Backbone interact. energy: -5.364 local terms energy: -864.247746 where: bonds (distance) C4'-P energy: -159.220 bonds (distance) P-C4' energy: -166.338 flat angles C4'-P-C4' energy: -193.052 flat angles P-C4'-P energy: -103.892 tors. eta vs tors. theta energy: -241.745 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: 1 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2762.829114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.829114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.829114 (E_RNA) where: Base-Base interactions energy: -1882.526 where: short stacking energy: -825.813 Base-Backbone interact. energy: -0.271 local terms energy: -880.032019 where: bonds (distance) C4'-P energy: -156.003 bonds (distance) P-C4' energy: -178.105 flat angles C4'-P-C4' energy: -197.561 flat angles P-C4'-P energy: -127.763 tors. eta vs tors. theta energy: -220.600 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: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2496.197571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.197571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.197571 (E_RNA) where: Base-Base interactions energy: -1757.908 where: short stacking energy: -759.221 Base-Backbone interact. energy: 1.597 local terms energy: -739.887359 where: bonds (distance) C4'-P energy: -159.550 bonds (distance) P-C4' energy: -137.571 flat angles C4'-P-C4' energy: -174.853 flat angles P-C4'-P energy: -101.000 tors. eta vs tors. theta energy: -166.913 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: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -2285.366350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.366350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.366350 (E_RNA) where: Base-Base interactions energy: -1574.125 where: short stacking energy: -665.336 Base-Backbone interact. energy: -2.636 local terms energy: -708.606159 where: bonds (distance) C4'-P energy: -137.433 bonds (distance) P-C4' energy: -154.555 flat angles C4'-P-C4' energy: -158.448 flat angles P-C4'-P energy: -101.199 tors. eta vs tors. theta energy: -156.971 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: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -2097.930446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.930446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.930446 (E_RNA) where: Base-Base interactions energy: -1420.145 where: short stacking energy: -659.312 Base-Backbone interact. energy: -5.577 local terms energy: -672.209356 where: bonds (distance) C4'-P energy: -138.340 bonds (distance) P-C4' energy: -152.396 flat angles C4'-P-C4' energy: -144.373 flat angles P-C4'-P energy: -95.673 tors. eta vs tors. theta energy: -141.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1518.683347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.683347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.683347 (E_RNA) where: Base-Base interactions energy: -962.821 where: short stacking energy: -463.545 Base-Backbone interact. energy: 2.530 local terms energy: -558.392470 where: bonds (distance) C4'-P energy: -136.584 bonds (distance) P-C4' energy: -139.742 flat angles C4'-P-C4' energy: -145.414 flat angles P-C4'-P energy: -77.168 tors. eta vs tors. theta energy: -59.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3350.477529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.477529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.477529 (E_RNA) where: Base-Base interactions energy: -2354.379 where: short stacking energy: -1003.668 Base-Backbone interact. energy: -6.857 local terms energy: -989.241538 where: bonds (distance) C4'-P energy: -183.162 bonds (distance) P-C4' energy: -190.777 flat angles C4'-P-C4' energy: -213.868 flat angles P-C4'-P energy: -138.677 tors. eta vs tors. theta energy: -262.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -3282.649719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.649719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.649719 (E_RNA) where: Base-Base interactions energy: -2308.973 where: short stacking energy: -954.983 Base-Backbone interact. energy: -2.139 local terms energy: -971.537778 where: bonds (distance) C4'-P energy: -167.332 bonds (distance) P-C4' energy: -187.349 flat angles C4'-P-C4' energy: -215.354 flat angles P-C4'-P energy: -140.326 tors. eta vs tors. theta energy: -261.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -3166.978465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.978465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.978465 (E_RNA) where: Base-Base interactions energy: -2255.561 where: short stacking energy: -888.791 Base-Backbone interact. energy: 2.420 local terms energy: -913.837197 where: bonds (distance) C4'-P energy: -175.621 bonds (distance) P-C4' energy: -171.676 flat angles C4'-P-C4' energy: -205.406 flat angles P-C4'-P energy: -129.367 tors. eta vs tors. theta energy: -231.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -2955.565826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.565826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.565826 (E_RNA) where: Base-Base interactions energy: -2050.553 where: short stacking energy: -858.155 Base-Backbone interact. energy: -7.904 local terms energy: -897.108501 where: bonds (distance) C4'-P energy: -176.260 bonds (distance) P-C4' energy: -178.810 flat angles C4'-P-C4' energy: -200.688 flat angles P-C4'-P energy: -120.635 tors. eta vs tors. theta energy: -220.715 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: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2900.442322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.442322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.442322 (E_RNA) where: Base-Base interactions energy: -2041.773 where: short stacking energy: -890.316 Base-Backbone interact. energy: -2.324 local terms energy: -856.344697 where: bonds (distance) C4'-P energy: -158.023 bonds (distance) P-C4' energy: -161.508 flat angles C4'-P-C4' energy: -197.372 flat angles P-C4'-P energy: -107.034 tors. eta vs tors. theta energy: -232.407 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: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -2731.919669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.919669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.919669 (E_RNA) where: Base-Base interactions energy: -1904.664 where: short stacking energy: -841.858 Base-Backbone interact. energy: -2.149 local terms energy: -825.107309 where: bonds (distance) C4'-P energy: -157.371 bonds (distance) P-C4' energy: -139.367 flat angles C4'-P-C4' energy: -193.881 flat angles P-C4'-P energy: -101.622 tors. eta vs tors. theta energy: -232.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2537.319573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.319573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.319573 (E_RNA) where: Base-Base interactions energy: -1774.102 where: short stacking energy: -726.805 Base-Backbone interact. energy: 1.030 local terms energy: -764.247807 where: bonds (distance) C4'-P energy: -153.660 bonds (distance) P-C4' energy: -158.126 flat angles C4'-P-C4' energy: -188.464 flat angles P-C4'-P energy: -111.044 tors. eta vs tors. theta energy: -152.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -2313.168073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.168073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.168073 (E_RNA) where: Base-Base interactions energy: -1591.613 where: short stacking energy: -700.315 Base-Backbone interact. energy: -1.331 local terms energy: -720.223740 where: bonds (distance) C4'-P energy: -148.669 bonds (distance) P-C4' energy: -151.475 flat angles C4'-P-C4' energy: -171.691 flat angles P-C4'-P energy: -99.319 tors. eta vs tors. theta energy: -149.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1983.931525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.931525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.931525 (E_RNA) where: Base-Base interactions energy: -1346.249 where: short stacking energy: -627.626 Base-Backbone interact. energy: -0.151 local terms energy: -637.531388 where: bonds (distance) C4'-P energy: -131.956 bonds (distance) P-C4' energy: -142.416 flat angles C4'-P-C4' energy: -153.076 flat angles P-C4'-P energy: -100.379 tors. eta vs tors. theta energy: -109.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1506.608632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.608632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.608632 (E_RNA) where: Base-Base interactions energy: -972.804 where: short stacking energy: -425.035 Base-Backbone interact. energy: 1.153 local terms energy: -534.957673 where: bonds (distance) C4'-P energy: -123.206 bonds (distance) P-C4' energy: -132.294 flat angles C4'-P-C4' energy: -144.534 flat angles P-C4'-P energy: -88.257 tors. eta vs tors. theta energy: -46.667 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: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3316.599151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3316.599151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3316.599151 (E_RNA) where: Base-Base interactions energy: -2351.459 where: short stacking energy: -986.364 Base-Backbone interact. energy: -0.727 local terms energy: -964.413205 where: bonds (distance) C4'-P energy: -188.457 bonds (distance) P-C4' energy: -174.734 flat angles C4'-P-C4' energy: -213.590 flat angles P-C4'-P energy: -134.019 tors. eta vs tors. theta energy: -253.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -3234.077865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.077865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.077865 (E_RNA) where: Base-Base interactions energy: -2275.552 where: short stacking energy: -945.841 Base-Backbone interact. energy: -6.558 local terms energy: -951.967466 where: bonds (distance) C4'-P energy: -176.029 bonds (distance) P-C4' energy: -185.903 flat angles C4'-P-C4' energy: -196.505 flat angles P-C4'-P energy: -140.974 tors. eta vs tors. theta energy: -252.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -3134.223754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.223754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.223754 (E_RNA) where: Base-Base interactions energy: -2246.668 where: short stacking energy: -920.298 Base-Backbone interact. energy: -2.154 local terms energy: -885.402026 where: bonds (distance) C4'-P energy: -152.551 bonds (distance) P-C4' energy: -178.057 flat angles C4'-P-C4' energy: -194.444 flat angles P-C4'-P energy: -110.371 tors. eta vs tors. theta energy: -249.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2920.664749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.664749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.664749 (E_RNA) where: Base-Base interactions energy: -2034.892 where: short stacking energy: -833.240 Base-Backbone interact. energy: -3.995 local terms energy: -881.777844 where: bonds (distance) C4'-P energy: -174.948 bonds (distance) P-C4' energy: -167.140 flat angles C4'-P-C4' energy: -200.767 flat angles P-C4'-P energy: -120.651 tors. eta vs tors. theta energy: -218.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2914.758174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.758174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.758174 (E_RNA) where: Base-Base interactions energy: -2041.717 where: short stacking energy: -869.256 Base-Backbone interact. energy: -0.997 local terms energy: -872.043744 where: bonds (distance) C4'-P energy: -162.589 bonds (distance) P-C4' energy: -175.255 flat angles C4'-P-C4' energy: -183.496 flat angles P-C4'-P energy: -101.316 tors. eta vs tors. theta energy: -249.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2666.162880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.162880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.162880 (E_RNA) where: Base-Base interactions energy: -1860.134 where: short stacking energy: -796.274 Base-Backbone interact. energy: -3.902 local terms energy: -802.127427 where: bonds (distance) C4'-P energy: -144.101 bonds (distance) P-C4' energy: -126.882 flat angles C4'-P-C4' energy: -184.507 flat angles P-C4'-P energy: -124.242 tors. eta vs tors. theta energy: -222.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2562.859165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.859165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.859165 (E_RNA) where: Base-Base interactions energy: -1792.309 where: short stacking energy: -730.141 Base-Backbone interact. energy: -4.726 local terms energy: -765.824366 where: bonds (distance) C4'-P energy: -155.065 bonds (distance) P-C4' energy: -156.247 flat angles C4'-P-C4' energy: -182.476 flat angles P-C4'-P energy: -101.280 tors. eta vs tors. theta energy: -170.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -2280.669406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.669406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.669406 (E_RNA) where: Base-Base interactions energy: -1554.521 where: short stacking energy: -661.896 Base-Backbone interact. energy: -0.372 local terms energy: -725.776478 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -153.503 flat angles C4'-P-C4' energy: -169.552 flat angles P-C4'-P energy: -104.412 tors. eta vs tors. theta energy: -153.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -2022.763964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.763964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.763964 (E_RNA) where: Base-Base interactions energy: -1345.189 where: short stacking energy: -569.303 Base-Backbone interact. energy: -2.989 local terms energy: -674.585718 where: bonds (distance) C4'-P energy: -145.860 bonds (distance) P-C4' energy: -155.314 flat angles C4'-P-C4' energy: -164.074 flat angles P-C4'-P energy: -96.005 tors. eta vs tors. theta energy: -113.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1433.792778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.792778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.792778 (E_RNA) where: Base-Base interactions energy: -885.811 where: short stacking energy: -407.304 Base-Backbone interact. energy: 6.319 local terms energy: -554.300621 where: bonds (distance) C4'-P energy: -153.734 bonds (distance) P-C4' energy: -161.054 flat angles C4'-P-C4' energy: -119.039 flat angles P-C4'-P energy: -82.817 tors. eta vs tors. theta energy: -37.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3288.405423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.405423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.405423 (E_RNA) where: Base-Base interactions energy: -2352.477 where: short stacking energy: -979.028 Base-Backbone interact. energy: 0.245 local terms energy: -936.173543 where: bonds (distance) C4'-P energy: -170.131 bonds (distance) P-C4' energy: -178.303 flat angles C4'-P-C4' energy: -209.346 flat angles P-C4'-P energy: -130.186 tors. eta vs tors. theta energy: -248.209 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: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -3274.761742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.761742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.761742 (E_RNA) where: Base-Base interactions energy: -2315.351 where: short stacking energy: -936.556 Base-Backbone interact. energy: 1.394 local terms energy: -960.805004 where: bonds (distance) C4'-P energy: -177.983 bonds (distance) P-C4' energy: -181.596 flat angles C4'-P-C4' energy: -215.176 flat angles P-C4'-P energy: -137.206 tors. eta vs tors. theta energy: -248.844 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: 3, replica: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -3156.163901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.163901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.163901 (E_RNA) where: Base-Base interactions energy: -2260.674 where: short stacking energy: -901.319 Base-Backbone interact. energy: 1.105 local terms energy: -896.594882 where: bonds (distance) C4'-P energy: -171.327 bonds (distance) P-C4' energy: -170.418 flat angles C4'-P-C4' energy: -198.470 flat angles P-C4'-P energy: -120.628 tors. eta vs tors. theta energy: -235.751 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2968.262623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.262623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.262623 (E_RNA) where: Base-Base interactions energy: -2081.585 where: short stacking energy: -862.726 Base-Backbone interact. energy: -3.353 local terms energy: -883.325391 where: bonds (distance) C4'-P energy: -184.112 bonds (distance) P-C4' energy: -168.574 flat angles C4'-P-C4' energy: -182.489 flat angles P-C4'-P energy: -130.621 tors. eta vs tors. theta energy: -217.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -2968.427983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2968.427983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2968.427983 (E_RNA) where: Base-Base interactions energy: -2069.913 where: short stacking energy: -908.653 Base-Backbone interact. energy: -1.320 local terms energy: -897.195359 where: bonds (distance) C4'-P energy: -159.113 bonds (distance) P-C4' energy: -170.133 flat angles C4'-P-C4' energy: -208.853 flat angles P-C4'-P energy: -113.105 tors. eta vs tors. theta energy: -245.992 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: 254 Temperature: 1.150000 Total energy: -2688.121442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.121442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.121442 (E_RNA) where: Base-Base interactions energy: -1831.212 where: short stacking energy: -778.595 Base-Backbone interact. energy: -1.057 local terms energy: -855.852402 where: bonds (distance) C4'-P energy: -174.404 bonds (distance) P-C4' energy: -181.616 flat angles C4'-P-C4' energy: -178.192 flat angles P-C4'-P energy: -117.561 tors. eta vs tors. theta energy: -204.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2499.887719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.887719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.887719 (E_RNA) where: Base-Base interactions energy: -1749.773 where: short stacking energy: -745.744 Base-Backbone interact. energy: 0.809 local terms energy: -750.923811 where: bonds (distance) C4'-P energy: -130.222 bonds (distance) P-C4' energy: -159.044 flat angles C4'-P-C4' energy: -167.147 flat angles P-C4'-P energy: -108.527 tors. eta vs tors. theta energy: -185.984 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: 254 Temperature: 1.250000 Total energy: -2303.379247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.379247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.379247 (E_RNA) where: Base-Base interactions energy: -1557.681 where: short stacking energy: -664.401 Base-Backbone interact. energy: 1.346 local terms energy: -747.044665 where: bonds (distance) C4'-P energy: -140.799 bonds (distance) P-C4' energy: -149.994 flat angles C4'-P-C4' energy: -190.598 flat angles P-C4'-P energy: -113.373 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1948.597651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.597651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.597651 (E_RNA) where: Base-Base interactions energy: -1283.664 where: short stacking energy: -571.521 Base-Backbone interact. energy: 2.929 local terms energy: -667.862696 where: bonds (distance) C4'-P energy: -163.198 bonds (distance) P-C4' energy: -160.460 flat angles C4'-P-C4' energy: -148.162 flat angles P-C4'-P energy: -87.803 tors. eta vs tors. theta energy: -108.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1391.736450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.736450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.736450 (E_RNA) where: Base-Base interactions energy: -878.694 where: short stacking energy: -389.766 Base-Backbone interact. energy: -0.407 local terms energy: -512.636346 where: bonds (distance) C4'-P energy: -133.698 bonds (distance) P-C4' energy: -119.449 flat angles C4'-P-C4' energy: -144.008 flat angles P-C4'-P energy: -96.974 tors. eta vs tors. theta energy: -18.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3312.963645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.963645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.963645 (E_RNA) where: Base-Base interactions energy: -2341.300 where: short stacking energy: -987.878 Base-Backbone interact. energy: -3.235 local terms energy: -968.428906 where: bonds (distance) C4'-P energy: -166.708 bonds (distance) P-C4' energy: -184.883 flat angles C4'-P-C4' energy: -213.912 flat angles P-C4'-P energy: -153.828 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: 5 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -3284.376008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.376008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.376008 (E_RNA) where: Base-Base interactions energy: -2337.966 where: short stacking energy: -955.291 Base-Backbone interact. energy: 1.996 local terms energy: -948.405781 where: bonds (distance) C4'-P energy: -183.869 bonds (distance) P-C4' energy: -190.346 flat angles C4'-P-C4' energy: -200.086 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -249.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -3140.080199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.080199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.080199 (E_RNA) where: Base-Base interactions energy: -2237.416 where: short stacking energy: -900.029 Base-Backbone interact. energy: 3.003 local terms energy: -905.666796 where: bonds (distance) C4'-P energy: -156.702 bonds (distance) P-C4' energy: -180.326 flat angles C4'-P-C4' energy: -197.359 flat angles P-C4'-P energy: -132.393 tors. eta vs tors. theta energy: -238.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -3034.024970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.024970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.024970 (E_RNA) where: Base-Base interactions energy: -2117.658 where: short stacking energy: -958.642 Base-Backbone interact. energy: -3.232 local terms energy: -913.135381 where: bonds (distance) C4'-P energy: -156.279 bonds (distance) P-C4' energy: -163.860 flat angles C4'-P-C4' energy: -198.060 flat angles P-C4'-P energy: -135.353 tors. eta vs tors. theta energy: -259.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2878.543715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.543715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.543715 (E_RNA) where: Base-Base interactions energy: -2036.066 where: short stacking energy: -855.675 Base-Backbone interact. energy: -4.071 local terms energy: -838.406938 where: bonds (distance) C4'-P energy: -169.056 bonds (distance) P-C4' energy: -171.545 flat angles C4'-P-C4' energy: -172.397 flat angles P-C4'-P energy: -103.206 tors. eta vs tors. theta energy: -222.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2713.988932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.988932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.988932 (E_RNA) where: Base-Base interactions energy: -1875.800 where: short stacking energy: -803.475 Base-Backbone interact. energy: -7.052 local terms energy: -831.136261 where: bonds (distance) C4'-P energy: -153.350 bonds (distance) P-C4' energy: -170.647 flat angles C4'-P-C4' energy: -182.422 flat angles P-C4'-P energy: -102.873 tors. eta vs tors. theta energy: -221.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2477.932788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2477.932788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2477.932788 (E_RNA) where: Base-Base interactions energy: -1716.972 where: short stacking energy: -710.332 Base-Backbone interact. energy: 0.528 local terms energy: -761.488921 where: bonds (distance) C4'-P energy: -154.187 bonds (distance) P-C4' energy: -162.147 flat angles C4'-P-C4' energy: -176.957 flat angles P-C4'-P energy: -105.474 tors. eta vs tors. theta energy: -162.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -2301.139306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.139306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.139306 (E_RNA) where: Base-Base interactions energy: -1595.132 where: short stacking energy: -705.614 Base-Backbone interact. energy: 0.438 local terms energy: -706.444432 where: bonds (distance) C4'-P energy: -164.055 bonds (distance) P-C4' energy: -137.090 flat angles C4'-P-C4' energy: -157.232 flat angles P-C4'-P energy: -90.389 tors. eta vs tors. theta energy: -157.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1994.677761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.677761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.677761 (E_RNA) where: Base-Base interactions energy: -1373.338 where: short stacking energy: -601.388 Base-Backbone interact. energy: 0.501 local terms energy: -621.840553 where: bonds (distance) C4'-P energy: -137.605 bonds (distance) P-C4' energy: -139.684 flat angles C4'-P-C4' energy: -139.096 flat angles P-C4'-P energy: -82.866 tors. eta vs tors. theta energy: -122.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1463.091188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.091188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.091188 (E_RNA) where: Base-Base interactions energy: -935.949 where: short stacking energy: -424.531 Base-Backbone interact. energy: -3.351 local terms energy: -523.791758 where: bonds (distance) C4'-P energy: -117.889 bonds (distance) P-C4' energy: -168.505 flat angles C4'-P-C4' energy: -130.026 flat angles P-C4'-P energy: -60.540 tors. eta vs tors. theta energy: -46.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3364.705282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.705282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.705282 (E_RNA) where: Base-Base interactions energy: -2372.104 where: short stacking energy: -980.754 Base-Backbone interact. energy: -0.937 local terms energy: -991.664036 where: bonds (distance) C4'-P energy: -196.656 bonds (distance) P-C4' energy: -168.356 flat angles C4'-P-C4' energy: -211.670 flat angles P-C4'-P energy: -151.470 tors. eta vs tors. theta energy: -263.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -3220.654265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.654265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.654265 (E_RNA) where: Base-Base interactions energy: -2272.055 where: short stacking energy: -931.703 Base-Backbone interact. energy: -4.696 local terms energy: -943.903105 where: bonds (distance) C4'-P energy: -164.181 bonds (distance) P-C4' energy: -200.684 flat angles C4'-P-C4' energy: -219.078 flat angles P-C4'-P energy: -120.565 tors. eta vs tors. theta energy: -239.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -3166.410817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.410817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.410817 (E_RNA) where: Base-Base interactions energy: -2259.494 where: short stacking energy: -905.819 Base-Backbone interact. energy: -2.198 local terms energy: -904.719182 where: bonds (distance) C4'-P energy: -176.221 bonds (distance) P-C4' energy: -164.448 flat angles C4'-P-C4' energy: -195.073 flat angles P-C4'-P energy: -123.481 tors. eta vs tors. theta energy: -245.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -3065.239804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.239804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.239804 (E_RNA) where: Base-Base interactions energy: -2173.340 where: short stacking energy: -962.247 Base-Backbone interact. energy: -1.245 local terms energy: -890.654562 where: bonds (distance) C4'-P energy: -170.803 bonds (distance) P-C4' energy: -164.485 flat angles C4'-P-C4' energy: -181.403 flat angles P-C4'-P energy: -129.787 tors. eta vs tors. theta energy: -244.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2908.730618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.730618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.730618 (E_RNA) where: Base-Base interactions energy: -2071.183 where: short stacking energy: -851.910 Base-Backbone interact. energy: -1.438 local terms energy: -836.109694 where: bonds (distance) C4'-P energy: -152.550 bonds (distance) P-C4' energy: -173.084 flat angles C4'-P-C4' energy: -173.627 flat angles P-C4'-P energy: -109.332 tors. eta vs tors. theta energy: -227.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2744.567217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.567217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.567217 (E_RNA) where: Base-Base interactions energy: -1927.646 where: short stacking energy: -838.869 Base-Backbone interact. energy: 6.070 local terms energy: -822.991088 where: bonds (distance) C4'-P energy: -137.636 bonds (distance) P-C4' energy: -169.970 flat angles C4'-P-C4' energy: -185.676 flat angles P-C4'-P energy: -125.675 tors. eta vs tors. theta energy: -204.034 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: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2529.379054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.379054 (E_RNA) where: Base-Base interactions energy: -1803.039 where: short stacking energy: -749.123 Base-Backbone interact. energy: 3.930 local terms energy: -730.270051 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -148.345 flat angles C4'-P-C4' energy: -156.928 flat angles P-C4'-P energy: -98.686 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: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -2266.928905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.928905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.928905 (E_RNA) where: Base-Base interactions energy: -1534.603 where: short stacking energy: -687.236 Base-Backbone interact. energy: -2.938 local terms energy: -729.387807 where: bonds (distance) C4'-P energy: -143.347 bonds (distance) P-C4' energy: -140.974 flat angles C4'-P-C4' energy: -167.307 flat angles P-C4'-P energy: -102.570 tors. eta vs tors. theta energy: -175.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1982.189396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.189396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.189396 (E_RNA) where: Base-Base interactions energy: -1339.715 where: short stacking energy: -593.712 Base-Backbone interact. energy: 7.159 local terms energy: -649.633030 where: bonds (distance) C4'-P energy: -152.704 bonds (distance) P-C4' energy: -144.749 flat angles C4'-P-C4' energy: -140.380 flat angles P-C4'-P energy: -92.074 tors. eta vs tors. theta energy: -119.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1404.411316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.411316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.411316 (E_RNA) where: Base-Base interactions energy: -858.919 where: short stacking energy: -394.845 Base-Backbone interact. energy: 6.260 local terms energy: -551.752627 where: bonds (distance) C4'-P energy: -144.054 bonds (distance) P-C4' energy: -160.188 flat angles C4'-P-C4' energy: -146.621 flat angles P-C4'-P energy: -81.347 tors. eta vs tors. theta energy: -19.543 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: 5 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3368.000885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.000885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.000885 (E_RNA) where: Base-Base interactions energy: -2400.251 where: short stacking energy: -1004.551 Base-Backbone interact. energy: -0.686 local terms energy: -967.064572 where: bonds (distance) C4'-P energy: -168.912 bonds (distance) P-C4' energy: -186.620 flat angles C4'-P-C4' energy: -194.007 flat angles P-C4'-P energy: -147.411 tors. eta vs tors. theta energy: -270.115 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: 4 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -3209.432717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.432717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.432717 (E_RNA) where: Base-Base interactions energy: -2266.983 where: short stacking energy: -920.135 Base-Backbone interact. energy: -5.372 local terms energy: -937.077865 where: bonds (distance) C4'-P energy: -174.252 bonds (distance) P-C4' energy: -202.013 flat angles C4'-P-C4' energy: -212.862 flat angles P-C4'-P energy: -108.662 tors. eta vs tors. theta energy: -239.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -3150.562798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.562798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.562798 (E_RNA) where: Base-Base interactions energy: -2223.076 where: short stacking energy: -921.004 Base-Backbone interact. energy: -4.600 local terms energy: -922.886875 where: bonds (distance) C4'-P energy: -171.624 bonds (distance) P-C4' energy: -179.671 flat angles C4'-P-C4' energy: -199.817 flat angles P-C4'-P energy: -129.033 tors. eta vs tors. theta energy: -242.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -3047.211278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.211278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.211278 (E_RNA) where: Base-Base interactions energy: -2131.725 where: short stacking energy: -915.083 Base-Backbone interact. energy: -5.317 local terms energy: -910.168738 where: bonds (distance) C4'-P energy: -160.356 bonds (distance) P-C4' energy: -165.257 flat angles C4'-P-C4' energy: -212.103 flat angles P-C4'-P energy: -128.267 tors. eta vs tors. theta energy: -244.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2871.486266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.486266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.486266 (E_RNA) where: Base-Base interactions energy: -2070.677 where: short stacking energy: -820.052 Base-Backbone interact. energy: 2.938 local terms energy: -803.747457 where: bonds (distance) C4'-P energy: -146.732 bonds (distance) P-C4' energy: -157.180 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -218.959 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: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2755.012051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.012051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.012051 (E_RNA) where: Base-Base interactions energy: -1909.763 where: short stacking energy: -824.153 Base-Backbone interact. energy: -2.855 local terms energy: -842.393273 where: bonds (distance) C4'-P energy: -149.757 bonds (distance) P-C4' energy: -162.808 flat angles C4'-P-C4' energy: -181.486 flat angles P-C4'-P energy: -140.300 tors. eta vs tors. theta energy: -208.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2519.781693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.781693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.781693 (E_RNA) where: Base-Base interactions energy: -1783.536 where: short stacking energy: -749.746 Base-Backbone interact. energy: -3.547 local terms energy: -732.698798 where: bonds (distance) C4'-P energy: -149.501 bonds (distance) P-C4' energy: -138.024 flat angles C4'-P-C4' energy: -160.015 flat angles P-C4'-P energy: -116.312 tors. eta vs tors. theta energy: -168.848 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: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2339.128737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.128737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.128737 (E_RNA) where: Base-Base interactions energy: -1637.457 where: short stacking energy: -718.702 Base-Backbone interact. energy: 5.137 local terms energy: -706.808374 where: bonds (distance) C4'-P energy: -143.328 bonds (distance) P-C4' energy: -135.860 flat angles C4'-P-C4' energy: -166.662 flat angles P-C4'-P energy: -97.554 tors. eta vs tors. theta energy: -163.405 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: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -2074.120836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.120836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.120836 (E_RNA) where: Base-Base interactions energy: -1410.482 where: short stacking energy: -608.675 Base-Backbone interact. energy: -1.393 local terms energy: -662.245587 where: bonds (distance) C4'-P energy: -122.929 bonds (distance) P-C4' energy: -150.926 flat angles C4'-P-C4' energy: -167.814 flat angles P-C4'-P energy: -88.489 tors. eta vs tors. theta energy: -132.087 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: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1390.136804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.136804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.136804 (E_RNA) where: Base-Base interactions energy: -872.063 where: short stacking energy: -402.609 Base-Backbone interact. energy: 0.443 local terms energy: -518.517223 where: bonds (distance) C4'-P energy: -127.986 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -112.702 flat angles P-C4'-P energy: -101.745 tors. eta vs tors. theta energy: -39.264 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: 5 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3368.863236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.863236 (E_RNA) where: Base-Base interactions energy: -2375.241 where: short stacking energy: -962.528 Base-Backbone interact. energy: -4.014 local terms energy: -989.609094 where: bonds (distance) C4'-P energy: -190.458 bonds (distance) P-C4' energy: -176.583 flat angles C4'-P-C4' energy: -216.993 flat angles P-C4'-P energy: -147.702 tors. eta vs tors. theta energy: -257.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -3218.139620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.139620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.139620 (E_RNA) where: Base-Base interactions energy: -2269.046 where: short stacking energy: -925.662 Base-Backbone interact. energy: 8.333 local terms energy: -957.426477 where: bonds (distance) C4'-P energy: -174.005 bonds (distance) P-C4' energy: -177.872 flat angles C4'-P-C4' energy: -211.669 flat angles P-C4'-P energy: -138.206 tors. eta vs tors. theta energy: -255.674 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -3164.371097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.371097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.371097 (E_RNA) where: Base-Base interactions energy: -2260.399 where: short stacking energy: -935.310 Base-Backbone interact. energy: -3.752 local terms energy: -900.219783 where: bonds (distance) C4'-P energy: -172.023 bonds (distance) P-C4' energy: -155.082 flat angles C4'-P-C4' energy: -190.792 flat angles P-C4'-P energy: -134.105 tors. eta vs tors. theta energy: -248.219 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: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -3059.699332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.699332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.699332 (E_RNA) where: Base-Base interactions energy: -2124.257 where: short stacking energy: -929.905 Base-Backbone interact. energy: -2.273 local terms energy: -933.169048 where: bonds (distance) C4'-P energy: -157.336 bonds (distance) P-C4' energy: -183.228 flat angles C4'-P-C4' energy: -207.615 flat angles P-C4'-P energy: -126.400 tors. eta vs tors. theta energy: -258.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2906.337758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.337758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.337758 (E_RNA) where: Base-Base interactions energy: -2083.812 where: short stacking energy: -849.706 Base-Backbone interact. energy: -5.628 local terms energy: -816.897410 where: bonds (distance) C4'-P energy: -163.499 bonds (distance) P-C4' energy: -154.964 flat angles C4'-P-C4' energy: -179.541 flat angles P-C4'-P energy: -105.978 tors. eta vs tors. theta energy: -212.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2782.364147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.364147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.364147 (E_RNA) where: Base-Base interactions energy: -1944.317 where: short stacking energy: -830.981 Base-Backbone interact. energy: -3.954 local terms energy: -834.092896 where: bonds (distance) C4'-P energy: -169.524 bonds (distance) P-C4' energy: -158.804 flat angles C4'-P-C4' energy: -175.841 flat angles P-C4'-P energy: -113.052 tors. eta vs tors. theta energy: -216.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2505.411792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2505.411792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2505.411792 (E_RNA) where: Base-Base interactions energy: -1740.711 where: short stacking energy: -725.526 Base-Backbone interact. energy: -3.748 local terms energy: -760.953310 where: bonds (distance) C4'-P energy: -147.867 bonds (distance) P-C4' energy: -161.697 flat angles C4'-P-C4' energy: -163.524 flat angles P-C4'-P energy: -107.887 tors. eta vs tors. theta energy: -179.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -2362.288696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.288696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.288696 (E_RNA) where: Base-Base interactions energy: -1575.823 where: short stacking energy: -678.697 Base-Backbone interact. energy: -2.751 local terms energy: -783.714890 where: bonds (distance) C4'-P energy: -141.602 bonds (distance) P-C4' energy: -165.028 flat angles C4'-P-C4' energy: -176.650 flat angles P-C4'-P energy: -129.894 tors. eta vs tors. theta energy: -170.541 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: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -2064.324530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2064.324530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2064.324530 (E_RNA) where: Base-Base interactions energy: -1407.965 where: short stacking energy: -633.042 Base-Backbone interact. energy: -1.374 local terms energy: -654.984701 where: bonds (distance) C4'-P energy: -134.939 bonds (distance) P-C4' energy: -152.957 flat angles C4'-P-C4' energy: -171.635 flat angles P-C4'-P energy: -68.925 tors. eta vs tors. theta energy: -126.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1449.127930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.127930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.127930 (E_RNA) where: Base-Base interactions energy: -918.085 where: short stacking energy: -422.953 Base-Backbone interact. energy: 5.388 local terms energy: -536.431626 where: bonds (distance) C4'-P energy: -146.426 bonds (distance) P-C4' energy: -147.242 flat angles C4'-P-C4' energy: -139.022 flat angles P-C4'-P energy: -58.681 tors. eta vs tors. theta energy: -45.062 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: 5 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3333.818409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.818409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.818409 (E_RNA) where: Base-Base interactions energy: -2354.933 where: short stacking energy: -961.373 Base-Backbone interact. energy: -2.938 local terms energy: -975.947341 where: bonds (distance) C4'-P energy: -181.862 bonds (distance) P-C4' energy: -192.515 flat angles C4'-P-C4' energy: -206.912 flat angles P-C4'-P energy: -139.586 tors. eta vs tors. theta energy: -255.073 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: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3223.018137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.018137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.018137 (E_RNA) where: Base-Base interactions energy: -2278.208 where: short stacking energy: -952.143 Base-Backbone interact. energy: -3.829 local terms energy: -940.980704 where: bonds (distance) C4'-P energy: -161.242 bonds (distance) P-C4' energy: -190.898 flat angles C4'-P-C4' energy: -206.534 flat angles P-C4'-P energy: -138.892 tors. eta vs tors. theta energy: -243.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -3153.253663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.253663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.253663 (E_RNA) where: Base-Base interactions energy: -2264.710 where: short stacking energy: -915.506 Base-Backbone interact. energy: -2.099 local terms energy: -886.444830 where: bonds (distance) C4'-P energy: -176.878 bonds (distance) P-C4' energy: -167.469 flat angles C4'-P-C4' energy: -189.813 flat angles P-C4'-P energy: -108.876 tors. eta vs tors. theta energy: -243.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -3006.723931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.723931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.723931 (E_RNA) where: Base-Base interactions energy: -2091.114 where: short stacking energy: -923.119 Base-Backbone interact. energy: -0.351 local terms energy: -915.258261 where: bonds (distance) C4'-P energy: -170.744 bonds (distance) P-C4' energy: -157.222 flat angles C4'-P-C4' energy: -203.259 flat angles P-C4'-P energy: -133.531 tors. eta vs tors. theta energy: -250.502 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: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2872.030507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.030507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.030507 (E_RNA) where: Base-Base interactions energy: -2034.811 where: short stacking energy: -831.669 Base-Backbone interact. energy: -1.212 local terms energy: -836.007661 where: bonds (distance) C4'-P energy: -173.803 bonds (distance) P-C4' energy: -170.112 flat angles C4'-P-C4' energy: -169.530 flat angles P-C4'-P energy: -112.346 tors. eta vs tors. theta energy: -210.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2765.074302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.074302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.074302 (E_RNA) where: Base-Base interactions energy: -1893.107 where: short stacking energy: -808.510 Base-Backbone interact. energy: -5.216 local terms energy: -866.751092 where: bonds (distance) C4'-P energy: -176.944 bonds (distance) P-C4' energy: -180.985 flat angles C4'-P-C4' energy: -181.068 flat angles P-C4'-P energy: -113.030 tors. eta vs tors. theta energy: -214.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2533.266643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.266643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.266643 (E_RNA) where: Base-Base interactions energy: -1789.140 where: short stacking energy: -754.466 Base-Backbone interact. energy: -1.896 local terms energy: -742.230337 where: bonds (distance) C4'-P energy: -146.404 bonds (distance) P-C4' energy: -147.969 flat angles C4'-P-C4' energy: -168.491 flat angles P-C4'-P energy: -92.914 tors. eta vs tors. theta energy: -186.453 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: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -2402.832407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2402.832407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2402.832407 (E_RNA) where: Base-Base interactions energy: -1628.532 where: short stacking energy: -687.989 Base-Backbone interact. energy: -4.263 local terms energy: -770.037646 where: bonds (distance) C4'-P energy: -145.652 bonds (distance) P-C4' energy: -178.846 flat angles C4'-P-C4' energy: -175.588 flat angles P-C4'-P energy: -110.304 tors. eta vs tors. theta energy: -159.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1990.832927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.832927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.832927 (E_RNA) where: Base-Base interactions energy: -1333.741 where: short stacking energy: -579.225 Base-Backbone interact. energy: 0.325 local terms energy: -657.416328 where: bonds (distance) C4'-P energy: -140.966 bonds (distance) P-C4' energy: -165.530 flat angles C4'-P-C4' energy: -162.824 flat angles P-C4'-P energy: -73.581 tors. eta vs tors. theta energy: -114.516 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: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1386.664853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.664853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.664853 (E_RNA) where: Base-Base interactions energy: -883.119 where: short stacking energy: -404.774 Base-Backbone interact. energy: 0.559 local terms energy: -504.104376 where: bonds (distance) C4'-P energy: -131.936 bonds (distance) P-C4' energy: -138.413 flat angles C4'-P-C4' energy: -135.221 flat angles P-C4'-P energy: -75.730 tors. eta vs tors. theta energy: -22.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3380.826180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3380.826180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3380.826180 (E_RNA) where: Base-Base interactions energy: -2421.134 where: short stacking energy: -1016.087 Base-Backbone interact. energy: -0.992 local terms energy: -958.699719 where: bonds (distance) C4'-P energy: -173.403 bonds (distance) P-C4' energy: -175.418 flat angles C4'-P-C4' energy: -214.358 flat angles P-C4'-P energy: -137.590 tors. eta vs tors. theta energy: -257.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -3227.897889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.897889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.897889 (E_RNA) where: Base-Base interactions energy: -2269.967 where: short stacking energy: -965.177 Base-Backbone interact. energy: -0.657 local terms energy: -957.273913 where: bonds (distance) C4'-P energy: -186.311 bonds (distance) P-C4' energy: -174.680 flat angles C4'-P-C4' energy: -212.823 flat angles P-C4'-P energy: -124.297 tors. eta vs tors. theta energy: -259.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -3163.114760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.114760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.114760 (E_RNA) where: Base-Base interactions energy: -2256.559 where: short stacking energy: -924.882 Base-Backbone interact. energy: -4.703 local terms energy: -901.853214 where: bonds (distance) C4'-P energy: -161.757 bonds (distance) P-C4' energy: -168.992 flat angles C4'-P-C4' energy: -201.112 flat angles P-C4'-P energy: -128.464 tors. eta vs tors. theta energy: -241.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -3008.564894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.564894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.564894 (E_RNA) where: Base-Base interactions energy: -2094.442 where: short stacking energy: -927.170 Base-Backbone interact. energy: -5.033 local terms energy: -909.089690 where: bonds (distance) C4'-P energy: -157.665 bonds (distance) P-C4' energy: -183.915 flat angles C4'-P-C4' energy: -188.033 flat angles P-C4'-P energy: -122.713 tors. eta vs tors. theta energy: -256.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2918.833880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.833880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.833880 (E_RNA) where: Base-Base interactions energy: -2044.239 where: short stacking energy: -832.074 Base-Backbone interact. energy: -3.048 local terms energy: -871.546528 where: bonds (distance) C4'-P energy: -183.333 bonds (distance) P-C4' energy: -177.496 flat angles C4'-P-C4' energy: -188.745 flat angles P-C4'-P energy: -109.990 tors. eta vs tors. theta energy: -211.982 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: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2697.241435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.241435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.241435 (E_RNA) where: Base-Base interactions energy: -1886.320 where: short stacking energy: -817.865 Base-Backbone interact. energy: -3.811 local terms energy: -807.110369 where: bonds (distance) C4'-P energy: -151.211 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -185.330 flat angles P-C4'-P energy: -93.840 tors. eta vs tors. theta energy: -218.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2559.174843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.174843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.174843 (E_RNA) where: Base-Base interactions energy: -1791.108 where: short stacking energy: -747.187 Base-Backbone interact. energy: 1.792 local terms energy: -769.858359 where: bonds (distance) C4'-P energy: -132.558 bonds (distance) P-C4' energy: -155.688 flat angles C4'-P-C4' energy: -182.191 flat angles P-C4'-P energy: -113.618 tors. eta vs tors. theta energy: -185.804 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: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -2366.627648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.627648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.627648 (E_RNA) where: Base-Base interactions energy: -1640.993 where: short stacking energy: -675.305 Base-Backbone interact. energy: -1.681 local terms energy: -723.954059 where: bonds (distance) C4'-P energy: -158.938 bonds (distance) P-C4' energy: -152.649 flat angles C4'-P-C4' energy: -148.673 flat angles P-C4'-P energy: -98.423 tors. eta vs tors. theta energy: -165.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -2007.499973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.499973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.499973 (E_RNA) where: Base-Base interactions energy: -1369.351 where: short stacking energy: -616.199 Base-Backbone interact. energy: -2.868 local terms energy: -635.281054 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -145.200 flat angles C4'-P-C4' energy: -147.540 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -122.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1465.873400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.873400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.873400 (E_RNA) where: Base-Base interactions energy: -914.610 where: short stacking energy: -429.520 Base-Backbone interact. energy: -1.278 local terms energy: -549.985273 where: bonds (distance) C4'-P energy: -130.731 bonds (distance) P-C4' energy: -174.287 flat angles C4'-P-C4' energy: -134.546 flat angles P-C4'-P energy: -66.789 tors. eta vs tors. theta energy: -43.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3396.562931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.562931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.562931 (E_RNA) where: Base-Base interactions energy: -2426.756 where: short stacking energy: -985.547 Base-Backbone interact. energy: -5.891 local terms energy: -963.915902 where: bonds (distance) C4'-P energy: -201.055 bonds (distance) P-C4' energy: -169.290 flat angles C4'-P-C4' energy: -200.111 flat angles P-C4'-P energy: -138.502 tors. eta vs tors. theta energy: -254.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3250.054920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.054920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.054920 (E_RNA) where: Base-Base interactions energy: -2277.371 where: short stacking energy: -933.989 Base-Backbone interact. energy: -2.441 local terms energy: -970.242805 where: bonds (distance) C4'-P energy: -183.086 bonds (distance) P-C4' energy: -186.833 flat angles C4'-P-C4' energy: -202.362 flat angles P-C4'-P energy: -143.103 tors. eta vs tors. theta energy: -254.859 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: 3, replica: 4 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -3113.603852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.603852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.603852 (E_RNA) where: Base-Base interactions energy: -2214.856 where: short stacking energy: -887.195 Base-Backbone interact. energy: -3.401 local terms energy: -895.346765 where: bonds (distance) C4'-P energy: -165.405 bonds (distance) P-C4' energy: -178.412 flat angles C4'-P-C4' energy: -200.024 flat angles P-C4'-P energy: -124.663 tors. eta vs tors. theta energy: -226.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -3046.050320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.050320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.050320 (E_RNA) where: Base-Base interactions energy: -2139.006 where: short stacking energy: -920.312 Base-Backbone interact. energy: 9.734 local terms energy: -916.777994 where: bonds (distance) C4'-P energy: -181.872 bonds (distance) P-C4' energy: -175.859 flat angles C4'-P-C4' energy: -199.268 flat angles P-C4'-P energy: -113.584 tors. eta vs tors. theta energy: -246.195 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: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2821.511586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.511586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.511586 (E_RNA) where: Base-Base interactions energy: -2003.880 where: short stacking energy: -835.231 Base-Backbone interact. energy: -1.347 local terms energy: -816.285326 where: bonds (distance) C4'-P energy: -157.898 bonds (distance) P-C4' energy: -163.514 flat angles C4'-P-C4' energy: -184.853 flat angles P-C4'-P energy: -98.287 tors. eta vs tors. theta energy: -211.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2725.603851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.603851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.603851 (E_RNA) where: Base-Base interactions energy: -1905.017 where: short stacking energy: -812.440 Base-Backbone interact. energy: -5.082 local terms energy: -815.504216 where: bonds (distance) C4'-P energy: -166.118 bonds (distance) P-C4' energy: -152.727 flat angles C4'-P-C4' energy: -208.622 flat angles P-C4'-P energy: -86.408 tors. eta vs tors. theta energy: -201.629 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: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2553.529078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.529078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.529078 (E_RNA) where: Base-Base interactions energy: -1765.007 where: short stacking energy: -761.250 Base-Backbone interact. energy: -4.006 local terms energy: -784.516571 where: bonds (distance) C4'-P energy: -151.944 bonds (distance) P-C4' energy: -153.817 flat angles C4'-P-C4' energy: -164.278 flat angles P-C4'-P energy: -119.458 tors. eta vs tors. theta energy: -195.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -2365.145211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.145211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.145211 (E_RNA) where: Base-Base interactions energy: -1615.268 where: short stacking energy: -701.293 Base-Backbone interact. energy: -3.921 local terms energy: -745.956213 where: bonds (distance) C4'-P energy: -167.148 bonds (distance) P-C4' energy: -148.298 flat angles C4'-P-C4' energy: -158.790 flat angles P-C4'-P energy: -115.308 tors. eta vs tors. theta energy: -156.412 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: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -2038.049135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.049135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.049135 (E_RNA) where: Base-Base interactions energy: -1379.318 where: short stacking energy: -634.237 Base-Backbone interact. energy: 1.781 local terms energy: -660.512145 where: bonds (distance) C4'-P energy: -138.462 bonds (distance) P-C4' energy: -151.348 flat angles C4'-P-C4' energy: -147.370 flat angles P-C4'-P energy: -99.362 tors. eta vs tors. theta energy: -123.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1465.100576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.100576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.100576 (E_RNA) where: Base-Base interactions energy: -907.383 where: short stacking energy: -401.715 Base-Backbone interact. energy: 3.577 local terms energy: -561.295020 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -166.896 flat angles C4'-P-C4' energy: -137.578 flat angles P-C4'-P energy: -84.470 tors. eta vs tors. theta energy: -25.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3360.392121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.392121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.392121 (E_RNA) where: Base-Base interactions energy: -2395.014 where: short stacking energy: -989.210 Base-Backbone interact. energy: -2.897 local terms energy: -962.480396 where: bonds (distance) C4'-P energy: -175.597 bonds (distance) P-C4' energy: -183.950 flat angles C4'-P-C4' energy: -202.869 flat angles P-C4'-P energy: -134.844 tors. eta vs tors. theta energy: -265.221 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: 6 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -3237.014584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.014584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.014584 (E_RNA) where: Base-Base interactions energy: -2327.323 where: short stacking energy: -962.791 Base-Backbone interact. energy: -3.628 local terms energy: -906.063299 where: bonds (distance) C4'-P energy: -158.262 bonds (distance) P-C4' energy: -167.849 flat angles C4'-P-C4' energy: -187.374 flat angles P-C4'-P energy: -136.464 tors. eta vs tors. theta energy: -256.115 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: 3, replica: 4 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -3144.720664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.720664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.720664 (E_RNA) where: Base-Base interactions energy: -2219.573 where: short stacking energy: -920.919 Base-Backbone interact. energy: -2.783 local terms energy: -922.364639 where: bonds (distance) C4'-P energy: -173.604 bonds (distance) P-C4' energy: -176.574 flat angles C4'-P-C4' energy: -207.125 flat angles P-C4'-P energy: -122.183 tors. eta vs tors. theta energy: -242.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -3066.065402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.065402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.065402 (E_RNA) where: Base-Base interactions energy: -2149.863 where: short stacking energy: -903.962 Base-Backbone interact. energy: -2.774 local terms energy: -913.429028 where: bonds (distance) C4'-P energy: -182.986 bonds (distance) P-C4' energy: -157.150 flat angles C4'-P-C4' energy: -182.700 flat angles P-C4'-P energy: -141.374 tors. eta vs tors. theta energy: -249.219 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2869.506306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.506306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.506306 (E_RNA) where: Base-Base interactions energy: -2023.685 where: short stacking energy: -849.229 Base-Backbone interact. energy: -3.047 local terms energy: -842.774274 where: bonds (distance) C4'-P energy: -171.307 bonds (distance) P-C4' energy: -166.269 flat angles C4'-P-C4' energy: -177.393 flat angles P-C4'-P energy: -106.001 tors. eta vs tors. theta energy: -221.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2727.649351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.649351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.649351 (E_RNA) where: Base-Base interactions energy: -1904.340 where: short stacking energy: -776.584 Base-Backbone interact. energy: -4.228 local terms energy: -819.081194 where: bonds (distance) C4'-P energy: -153.185 bonds (distance) P-C4' energy: -168.118 flat angles C4'-P-C4' energy: -176.660 flat angles P-C4'-P energy: -118.925 tors. eta vs tors. theta energy: -202.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2428.839558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2428.839558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2428.839558 (E_RNA) where: Base-Base interactions energy: -1693.927 where: short stacking energy: -729.507 Base-Backbone interact. energy: -3.609 local terms energy: -731.303283 where: bonds (distance) C4'-P energy: -135.161 bonds (distance) P-C4' energy: -152.948 flat angles C4'-P-C4' energy: -172.764 flat angles P-C4'-P energy: -93.038 tors. eta vs tors. theta energy: -177.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -2467.649737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.649737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.649737 (E_RNA) where: Base-Base interactions energy: -1736.658 where: short stacking energy: -749.786 Base-Backbone interact. energy: 0.772 local terms energy: -731.762927 where: bonds (distance) C4'-P energy: -123.962 bonds (distance) P-C4' energy: -133.281 flat angles C4'-P-C4' energy: -184.085 flat angles P-C4'-P energy: -99.963 tors. eta vs tors. theta energy: -190.472 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: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -2045.170979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.170979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.170979 (E_RNA) where: Base-Base interactions energy: -1371.353 where: short stacking energy: -606.416 Base-Backbone interact. energy: -1.368 local terms energy: -672.449700 where: bonds (distance) C4'-P energy: -154.352 bonds (distance) P-C4' energy: -167.249 flat angles C4'-P-C4' energy: -142.035 flat angles P-C4'-P energy: -75.864 tors. eta vs tors. theta energy: -132.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1490.060761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.060761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.060761 (E_RNA) where: Base-Base interactions energy: -962.836 where: short stacking energy: -431.984 Base-Backbone interact. energy: 1.985 local terms energy: -529.209807 where: bonds (distance) C4'-P energy: -145.898 bonds (distance) P-C4' energy: -142.875 flat angles C4'-P-C4' energy: -138.128 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -32.050 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: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3360.783715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.783715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.783715 (E_RNA) where: Base-Base interactions energy: -2390.028 where: short stacking energy: -1002.690 Base-Backbone interact. energy: -2.347 local terms energy: -968.408789 where: bonds (distance) C4'-P energy: -201.502 bonds (distance) P-C4' energy: -164.927 flat angles C4'-P-C4' energy: -212.700 flat angles P-C4'-P energy: -121.574 tors. eta vs tors. theta energy: -267.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -3246.007529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.007529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.007529 (E_RNA) where: Base-Base interactions energy: -2309.891 where: short stacking energy: -957.956 Base-Backbone interact. energy: -5.409 local terms energy: -930.706978 where: bonds (distance) C4'-P energy: -157.836 bonds (distance) P-C4' energy: -175.043 flat angles C4'-P-C4' energy: -208.029 flat angles P-C4'-P energy: -141.150 tors. eta vs tors. theta energy: -248.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -3104.640614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.640614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.640614 (E_RNA) where: Base-Base interactions energy: -2203.073 where: short stacking energy: -878.105 Base-Backbone interact. energy: 4.865 local terms energy: -906.432532 where: bonds (distance) C4'-P energy: -170.557 bonds (distance) P-C4' energy: -190.427 flat angles C4'-P-C4' energy: -200.238 flat angles P-C4'-P energy: -117.841 tors. eta vs tors. theta energy: -227.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -3105.034347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.034347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.034347 (E_RNA) where: Base-Base interactions energy: -2196.222 where: short stacking energy: -937.128 Base-Backbone interact. energy: -2.013 local terms energy: -906.799469 where: bonds (distance) C4'-P energy: -163.698 bonds (distance) P-C4' energy: -159.063 flat angles C4'-P-C4' energy: -204.978 flat angles P-C4'-P energy: -127.059 tors. eta vs tors. theta energy: -252.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2834.429627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.429627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.429627 (E_RNA) where: Base-Base interactions energy: -1987.250 where: short stacking energy: -823.560 Base-Backbone interact. energy: -0.164 local terms energy: -847.015305 where: bonds (distance) C4'-P energy: -152.633 bonds (distance) P-C4' energy: -170.151 flat angles C4'-P-C4' energy: -188.255 flat angles P-C4'-P energy: -122.266 tors. eta vs tors. theta energy: -213.710 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: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2666.395230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.395230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.395230 (E_RNA) where: Base-Base interactions energy: -1879.493 where: short stacking energy: -803.349 Base-Backbone interact. energy: 5.745 local terms energy: -792.647571 where: bonds (distance) C4'-P energy: -143.213 bonds (distance) P-C4' energy: -149.844 flat angles C4'-P-C4' energy: -180.876 flat angles P-C4'-P energy: -118.447 tors. eta vs tors. theta energy: -200.267 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: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2491.902434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.902434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.902434 (E_RNA) where: Base-Base interactions energy: -1706.845 where: short stacking energy: -788.107 Base-Backbone interact. energy: -2.196 local terms energy: -782.861426 where: bonds (distance) C4'-P energy: -155.897 bonds (distance) P-C4' energy: -159.129 flat angles C4'-P-C4' energy: -163.014 flat angles P-C4'-P energy: -108.909 tors. eta vs tors. theta energy: -195.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -2420.032595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.032595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.032595 (E_RNA) where: Base-Base interactions energy: -1692.287 where: short stacking energy: -720.236 Base-Backbone interact. energy: 2.515 local terms energy: -730.260706 where: bonds (distance) C4'-P energy: -150.419 bonds (distance) P-C4' energy: -148.311 flat angles C4'-P-C4' energy: -151.727 flat angles P-C4'-P energy: -111.754 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: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1993.687135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.687135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.687135 (E_RNA) where: Base-Base interactions energy: -1332.658 where: short stacking energy: -573.634 Base-Backbone interact. energy: -5.836 local terms energy: -655.193524 where: bonds (distance) C4'-P energy: -155.599 bonds (distance) P-C4' energy: -140.867 flat angles C4'-P-C4' energy: -158.220 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -106.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1548.479568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.479568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.479568 (E_RNA) where: Base-Base interactions energy: -968.822 where: short stacking energy: -453.583 Base-Backbone interact. energy: 2.516 local terms energy: -582.173551 where: bonds (distance) C4'-P energy: -141.231 bonds (distance) P-C4' energy: -154.353 flat angles C4'-P-C4' energy: -135.439 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -71.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3382.966209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3382.966209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3382.966209 (E_RNA) where: Base-Base interactions energy: -2439.793 where: short stacking energy: -1003.901 Base-Backbone interact. energy: -0.425 local terms energy: -942.748303 where: bonds (distance) C4'-P energy: -162.470 bonds (distance) P-C4' energy: -167.459 flat angles C4'-P-C4' energy: -207.949 flat angles P-C4'-P energy: -130.170 tors. eta vs tors. theta energy: -274.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -3253.330384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.330384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.330384 (E_RNA) where: Base-Base interactions energy: -2323.337 where: short stacking energy: -952.159 Base-Backbone interact. energy: -0.163 local terms energy: -929.830494 where: bonds (distance) C4'-P energy: -171.662 bonds (distance) P-C4' energy: -170.689 flat angles C4'-P-C4' energy: -194.234 flat angles P-C4'-P energy: -138.576 tors. eta vs tors. theta energy: -254.669 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: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -3220.144350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.144350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.144350 (E_RNA) where: Base-Base interactions energy: -2273.052 where: short stacking energy: -972.650 Base-Backbone interact. energy: 4.443 local terms energy: -951.535119 where: bonds (distance) C4'-P energy: -165.582 bonds (distance) P-C4' energy: -178.025 flat angles C4'-P-C4' energy: -203.879 flat angles P-C4'-P energy: -124.603 tors. eta vs tors. theta energy: -279.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -3027.687870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.687870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.687870 (E_RNA) where: Base-Base interactions energy: -2146.673 where: short stacking energy: -844.596 Base-Backbone interact. energy: -4.704 local terms energy: -876.310581 where: bonds (distance) C4'-P energy: -179.461 bonds (distance) P-C4' energy: -169.326 flat angles C4'-P-C4' energy: -190.952 flat angles P-C4'-P energy: -117.191 tors. eta vs tors. theta energy: -219.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2828.373846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.373846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.373846 (E_RNA) where: Base-Base interactions energy: -2022.287 where: short stacking energy: -872.201 Base-Backbone interact. energy: 2.439 local terms energy: -808.525851 where: bonds (distance) C4'-P energy: -137.677 bonds (distance) P-C4' energy: -163.614 flat angles C4'-P-C4' energy: -187.853 flat angles P-C4'-P energy: -102.341 tors. eta vs tors. theta energy: -217.040 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: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2718.909346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.909346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.909346 (E_RNA) where: Base-Base interactions energy: -1903.403 where: short stacking energy: -811.147 Base-Backbone interact. energy: -2.687 local terms energy: -812.820073 where: bonds (distance) C4'-P energy: -138.747 bonds (distance) P-C4' energy: -141.870 flat angles C4'-P-C4' energy: -188.037 flat angles P-C4'-P energy: -129.770 tors. eta vs tors. theta energy: -214.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2555.085400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.085400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.085400 (E_RNA) where: Base-Base interactions energy: -1749.138 where: short stacking energy: -726.771 Base-Backbone interact. energy: -1.324 local terms energy: -804.623435 where: bonds (distance) C4'-P energy: -182.135 bonds (distance) P-C4' energy: -168.658 flat angles C4'-P-C4' energy: -160.621 flat angles P-C4'-P energy: -109.892 tors. eta vs tors. theta energy: -183.317 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: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2370.285146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.285146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.285146 (E_RNA) where: Base-Base interactions energy: -1626.275 where: short stacking energy: -720.827 Base-Backbone interact. energy: -3.310 local terms energy: -740.700875 where: bonds (distance) C4'-P energy: -155.955 bonds (distance) P-C4' energy: -133.275 flat angles C4'-P-C4' energy: -164.262 flat angles P-C4'-P energy: -101.405 tors. eta vs tors. theta energy: -185.803 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: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1925.562117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.562117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.562117 (E_RNA) where: Base-Base interactions energy: -1277.542 where: short stacking energy: -583.981 Base-Backbone interact. energy: -0.109 local terms energy: -647.910619 where: bonds (distance) C4'-P energy: -143.226 bonds (distance) P-C4' energy: -141.419 flat angles C4'-P-C4' energy: -151.321 flat angles P-C4'-P energy: -95.120 tors. eta vs tors. theta energy: -116.825 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: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1506.690827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.690827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.690827 (E_RNA) where: Base-Base interactions energy: -998.048 where: short stacking energy: -414.823 Base-Backbone interact. energy: -0.995 local terms energy: -507.647149 where: bonds (distance) C4'-P energy: -124.260 bonds (distance) P-C4' energy: -141.565 flat angles C4'-P-C4' energy: -121.277 flat angles P-C4'-P energy: -75.207 tors. eta vs tors. theta energy: -45.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3376.399822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3376.399822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3376.399822 (E_RNA) where: Base-Base interactions energy: -2400.380 where: short stacking energy: -1019.857 Base-Backbone interact. energy: 2.049 local terms energy: -978.068283 where: bonds (distance) C4'-P energy: -173.125 bonds (distance) P-C4' energy: -177.157 flat angles C4'-P-C4' energy: -214.312 flat angles P-C4'-P energy: -141.156 tors. eta vs tors. theta energy: -272.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -3287.168928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.168928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.168928 (E_RNA) where: Base-Base interactions energy: -2312.082 where: short stacking energy: -959.815 Base-Backbone interact. energy: -4.550 local terms energy: -970.536519 where: bonds (distance) C4'-P energy: -190.035 bonds (distance) P-C4' energy: -176.021 flat angles C4'-P-C4' energy: -196.714 flat angles P-C4'-P energy: -150.122 tors. eta vs tors. theta energy: -257.645 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: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -3183.438786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.438786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.438786 (E_RNA) where: Base-Base interactions energy: -2247.717 where: short stacking energy: -968.423 Base-Backbone interact. energy: 3.509 local terms energy: -939.231097 where: bonds (distance) C4'-P energy: -173.243 bonds (distance) P-C4' energy: -171.971 flat angles C4'-P-C4' energy: -206.227 flat angles P-C4'-P energy: -127.959 tors. eta vs tors. theta energy: -259.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -3049.922357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.922357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.922357 (E_RNA) where: Base-Base interactions energy: -2195.903 where: short stacking energy: -897.248 Base-Backbone interact. energy: -0.642 local terms energy: -853.377279 where: bonds (distance) C4'-P energy: -153.408 bonds (distance) P-C4' energy: -170.930 flat angles C4'-P-C4' energy: -193.370 flat angles P-C4'-P energy: -112.628 tors. eta vs tors. theta energy: -223.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2898.347377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.347377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.347377 (E_RNA) where: Base-Base interactions energy: -2030.546 where: short stacking energy: -870.425 Base-Backbone interact. energy: -2.167 local terms energy: -865.633681 where: bonds (distance) C4'-P energy: -163.266 bonds (distance) P-C4' energy: -152.296 flat angles C4'-P-C4' energy: -179.359 flat angles P-C4'-P energy: -140.519 tors. eta vs tors. theta energy: -230.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2679.862219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.862219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.862219 (E_RNA) where: Base-Base interactions energy: -1881.821 where: short stacking energy: -790.972 Base-Backbone interact. energy: -2.334 local terms energy: -795.707356 where: bonds (distance) C4'-P energy: -154.045 bonds (distance) P-C4' energy: -152.306 flat angles C4'-P-C4' energy: -178.732 flat angles P-C4'-P energy: -97.502 tors. eta vs tors. theta energy: -213.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2549.052673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.052673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.052673 (E_RNA) where: Base-Base interactions energy: -1780.365 where: short stacking energy: -753.723 Base-Backbone interact. energy: -3.328 local terms energy: -765.359277 where: bonds (distance) C4'-P energy: -155.158 bonds (distance) P-C4' energy: -168.823 flat angles C4'-P-C4' energy: -156.101 flat angles P-C4'-P energy: -109.453 tors. eta vs tors. theta energy: -175.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2392.409920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.409920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.409920 (E_RNA) where: Base-Base interactions energy: -1619.967 where: short stacking energy: -699.313 Base-Backbone interact. energy: 0.837 local terms energy: -773.279695 where: bonds (distance) C4'-P energy: -163.318 bonds (distance) P-C4' energy: -174.462 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -101.784 tors. eta vs tors. theta energy: -159.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1961.899890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.899890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.899890 (E_RNA) where: Base-Base interactions energy: -1293.846 where: short stacking energy: -572.516 Base-Backbone interact. energy: -2.806 local terms energy: -665.248166 where: bonds (distance) C4'-P energy: -162.170 bonds (distance) P-C4' energy: -169.036 flat angles C4'-P-C4' energy: -149.820 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -109.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1571.459933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.459933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.459933 (E_RNA) where: Base-Base interactions energy: -1008.278 where: short stacking energy: -445.422 Base-Backbone interact. energy: -1.225 local terms energy: -561.956407 where: bonds (distance) C4'-P energy: -130.405 bonds (distance) P-C4' energy: -149.739 flat angles C4'-P-C4' energy: -137.037 flat angles P-C4'-P energy: -103.440 tors. eta vs tors. theta energy: -41.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3373.027997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.027997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.027997 (E_RNA) where: Base-Base interactions energy: -2379.746 where: short stacking energy: -979.069 Base-Backbone interact. energy: -4.497 local terms energy: -988.784246 where: bonds (distance) C4'-P energy: -188.595 bonds (distance) P-C4' energy: -192.772 flat angles C4'-P-C4' energy: -213.156 flat angles P-C4'-P energy: -140.261 tors. eta vs tors. theta energy: -254.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -3306.130291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.130291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.130291 (E_RNA) where: Base-Base interactions energy: -2350.790 where: short stacking energy: -978.754 Base-Backbone interact. energy: -4.745 local terms energy: -950.595835 where: bonds (distance) C4'-P energy: -166.539 bonds (distance) P-C4' energy: -177.903 flat angles C4'-P-C4' energy: -207.102 flat angles P-C4'-P energy: -141.485 tors. eta vs tors. theta energy: -257.566 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: 3, replica: 4 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -3119.016467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.016467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.016467 (E_RNA) where: Base-Base interactions energy: -2212.855 where: short stacking energy: -905.270 Base-Backbone interact. energy: -4.955 local terms energy: -901.206657 where: bonds (distance) C4'-P energy: -171.138 bonds (distance) P-C4' energy: -155.466 flat angles C4'-P-C4' energy: -200.873 flat angles P-C4'-P energy: -134.713 tors. eta vs tors. theta energy: -239.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -3080.941921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.941921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.941921 (E_RNA) where: Base-Base interactions energy: -2174.156 where: short stacking energy: -942.703 Base-Backbone interact. energy: -3.952 local terms energy: -902.834152 where: bonds (distance) C4'-P energy: -167.244 bonds (distance) P-C4' energy: -175.057 flat angles C4'-P-C4' energy: -182.652 flat angles P-C4'-P energy: -126.439 tors. eta vs tors. theta energy: -251.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2843.405506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.405506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.405506 (E_RNA) where: Base-Base interactions energy: -2022.456 where: short stacking energy: -820.821 Base-Backbone interact. energy: -4.162 local terms energy: -816.787202 where: bonds (distance) C4'-P energy: -154.428 bonds (distance) P-C4' energy: -166.420 flat angles C4'-P-C4' energy: -159.797 flat angles P-C4'-P energy: -125.430 tors. eta vs tors. theta energy: -210.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2727.212930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.212930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.212930 (E_RNA) where: Base-Base interactions energy: -1877.118 where: short stacking energy: -804.913 Base-Backbone interact. energy: -0.146 local terms energy: -849.948695 where: bonds (distance) C4'-P energy: -159.587 bonds (distance) P-C4' energy: -173.337 flat angles C4'-P-C4' energy: -174.661 flat angles P-C4'-P energy: -131.937 tors. eta vs tors. theta energy: -210.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2588.066772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.066772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.066772 (E_RNA) where: Base-Base interactions energy: -1796.124 where: short stacking energy: -788.744 Base-Backbone interact. energy: 0.766 local terms energy: -792.708087 where: bonds (distance) C4'-P energy: -145.595 bonds (distance) P-C4' energy: -176.799 flat angles C4'-P-C4' energy: -171.221 flat angles P-C4'-P energy: -101.228 tors. eta vs tors. theta energy: -197.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2368.879351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.879351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.879351 (E_RNA) where: Base-Base interactions energy: -1616.600 where: short stacking energy: -695.742 Base-Backbone interact. energy: -1.173 local terms energy: -751.106177 where: bonds (distance) C4'-P energy: -157.211 bonds (distance) P-C4' energy: -166.436 flat angles C4'-P-C4' energy: -149.022 flat angles P-C4'-P energy: -118.539 tors. eta vs tors. theta energy: -159.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1969.222547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.222547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.222547 (E_RNA) where: Base-Base interactions energy: -1316.257 where: short stacking energy: -609.623 Base-Backbone interact. energy: -0.706 local terms energy: -652.259308 where: bonds (distance) C4'-P energy: -113.628 bonds (distance) P-C4' energy: -153.449 flat angles C4'-P-C4' energy: -163.877 flat angles P-C4'-P energy: -88.055 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: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1491.143521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.143521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.143521 (E_RNA) where: Base-Base interactions energy: -934.672 where: short stacking energy: -417.546 Base-Backbone interact. energy: 9.972 local terms energy: -566.442733 where: bonds (distance) C4'-P energy: -153.275 bonds (distance) P-C4' energy: -136.369 flat angles C4'-P-C4' energy: -137.995 flat angles P-C4'-P energy: -92.404 tors. eta vs tors. theta energy: -46.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3369.206547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3369.206547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3369.206547 (E_RNA) where: Base-Base interactions energy: -2385.600 where: short stacking energy: -945.020 Base-Backbone interact. energy: -4.533 local terms energy: -979.074262 where: bonds (distance) C4'-P energy: -173.481 bonds (distance) P-C4' energy: -188.780 flat angles C4'-P-C4' energy: -202.597 flat angles P-C4'-P energy: -160.157 tors. eta vs tors. theta energy: -254.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3269.006747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.006747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.006747 (E_RNA) where: Base-Base interactions energy: -2349.518 where: short stacking energy: -925.740 Base-Backbone interact. energy: -0.984 local terms energy: -918.504284 where: bonds (distance) C4'-P energy: -174.720 bonds (distance) P-C4' energy: -167.287 flat angles C4'-P-C4' energy: -197.890 flat angles P-C4'-P energy: -130.946 tors. eta vs tors. theta energy: -247.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -3134.256629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.256629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.256629 (E_RNA) where: Base-Base interactions energy: -2203.618 where: short stacking energy: -903.583 Base-Backbone interact. energy: -3.533 local terms energy: -927.106302 where: bonds (distance) C4'-P energy: -174.962 bonds (distance) P-C4' energy: -171.219 flat angles C4'-P-C4' energy: -213.533 flat angles P-C4'-P energy: -125.101 tors. eta vs tors. theta energy: -242.292 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: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -3076.792016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.792016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.792016 (E_RNA) where: Base-Base interactions energy: -2179.267 where: short stacking energy: -954.950 Base-Backbone interact. energy: 7.535 local terms energy: -905.060036 where: bonds (distance) C4'-P energy: -152.179 bonds (distance) P-C4' energy: -176.038 flat angles C4'-P-C4' energy: -200.858 flat angles P-C4'-P energy: -131.588 tors. eta vs tors. theta energy: -244.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2826.038718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.038718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.038718 (E_RNA) where: Base-Base interactions energy: -1997.165 where: short stacking energy: -828.633 Base-Backbone interact. energy: -3.900 local terms energy: -824.974146 where: bonds (distance) C4'-P energy: -166.974 bonds (distance) P-C4' energy: -172.748 flat angles C4'-P-C4' energy: -175.058 flat angles P-C4'-P energy: -96.816 tors. eta vs tors. theta energy: -213.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2724.315131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.315131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.315131 (E_RNA) where: Base-Base interactions energy: -1884.539 where: short stacking energy: -805.880 Base-Backbone interact. energy: 0.855 local terms energy: -840.630477 where: bonds (distance) C4'-P energy: -156.397 bonds (distance) P-C4' energy: -155.530 flat angles C4'-P-C4' energy: -184.787 flat angles P-C4'-P energy: -129.537 tors. eta vs tors. theta energy: -214.379 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: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2517.812394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.812394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.812394 (E_RNA) where: Base-Base interactions energy: -1793.788 where: short stacking energy: -766.570 Base-Backbone interact. energy: -2.988 local terms energy: -721.036040 where: bonds (distance) C4'-P energy: -129.748 bonds (distance) P-C4' energy: -151.701 flat angles C4'-P-C4' energy: -173.947 flat angles P-C4'-P energy: -92.960 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: 8, replica: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2391.063876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.063876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.063876 (E_RNA) where: Base-Base interactions energy: -1652.341 where: short stacking energy: -707.206 Base-Backbone interact. energy: -4.716 local terms energy: -734.007296 where: bonds (distance) C4'-P energy: -135.037 bonds (distance) P-C4' energy: -153.280 flat angles C4'-P-C4' energy: -174.140 flat angles P-C4'-P energy: -103.577 tors. eta vs tors. theta energy: -167.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -2009.456272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.456272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.456272 (E_RNA) where: Base-Base interactions energy: -1340.847 where: short stacking energy: -573.186 Base-Backbone interact. energy: 2.539 local terms energy: -671.148612 where: bonds (distance) C4'-P energy: -145.814 bonds (distance) P-C4' energy: -152.364 flat angles C4'-P-C4' energy: -155.074 flat angles P-C4'-P energy: -92.713 tors. eta vs tors. theta energy: -125.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1459.283000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.283000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.283000 (E_RNA) where: Base-Base interactions energy: -923.314 where: short stacking energy: -438.391 Base-Backbone interact. energy: -0.805 local terms energy: -535.164030 where: bonds (distance) C4'-P energy: -133.255 bonds (distance) P-C4' energy: -129.791 flat angles C4'-P-C4' energy: -137.665 flat angles P-C4'-P energy: -86.565 tors. eta vs tors. theta energy: -47.887 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: 1, replica: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3391.921605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3391.921605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3391.921605 (E_RNA) where: Base-Base interactions energy: -2411.165 where: short stacking energy: -981.278 Base-Backbone interact. energy: -2.319 local terms energy: -978.438026 where: bonds (distance) C4'-P energy: -169.152 bonds (distance) P-C4' energy: -193.661 flat angles C4'-P-C4' energy: -207.633 flat angles P-C4'-P energy: -145.517 tors. eta vs tors. theta energy: -262.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3285.517594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.517594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.517594 (E_RNA) where: Base-Base interactions energy: -2362.011 where: short stacking energy: -987.756 Base-Backbone interact. energy: -5.481 local terms energy: -918.025041 where: bonds (distance) C4'-P energy: -152.993 bonds (distance) P-C4' energy: -176.946 flat angles C4'-P-C4' energy: -202.884 flat angles P-C4'-P energy: -131.718 tors. eta vs tors. theta energy: -253.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -3132.656057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.656057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.656057 (E_RNA) where: Base-Base interactions energy: -2200.521 where: short stacking energy: -966.275 Base-Backbone interact. energy: 2.714 local terms energy: -934.849092 where: bonds (distance) C4'-P energy: -171.852 bonds (distance) P-C4' energy: -181.436 flat angles C4'-P-C4' energy: -192.326 flat angles P-C4'-P energy: -119.670 tors. eta vs tors. theta energy: -269.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -3040.140392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.140392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.140392 (E_RNA) where: Base-Base interactions energy: -2165.718 where: short stacking energy: -875.711 Base-Backbone interact. energy: -1.971 local terms energy: -872.450869 where: bonds (distance) C4'-P energy: -140.560 bonds (distance) P-C4' energy: -174.973 flat angles C4'-P-C4' energy: -181.161 flat angles P-C4'-P energy: -152.950 tors. eta vs tors. theta energy: -222.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2862.972689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.972689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.972689 (E_RNA) where: Base-Base interactions energy: -2001.380 where: short stacking energy: -845.088 Base-Backbone interact. energy: 0.712 local terms energy: -862.304540 where: bonds (distance) C4'-P energy: -164.955 bonds (distance) P-C4' energy: -163.938 flat angles C4'-P-C4' energy: -181.416 flat angles P-C4'-P energy: -131.046 tors. eta vs tors. theta energy: -220.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2769.047439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.047439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.047439 (E_RNA) where: Base-Base interactions energy: -1897.847 where: short stacking energy: -825.453 Base-Backbone interact. energy: -1.336 local terms energy: -869.864422 where: bonds (distance) C4'-P energy: -175.079 bonds (distance) P-C4' energy: -179.207 flat angles C4'-P-C4' energy: -196.835 flat angles P-C4'-P energy: -108.469 tors. eta vs tors. theta energy: -210.274 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: 7, replica: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2531.566615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.566615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.566615 (E_RNA) where: Base-Base interactions energy: -1765.533 where: short stacking energy: -753.570 Base-Backbone interact. energy: -3.080 local terms energy: -762.953082 where: bonds (distance) C4'-P energy: -130.154 bonds (distance) P-C4' energy: -169.482 flat angles C4'-P-C4' energy: -166.167 flat angles P-C4'-P energy: -110.776 tors. eta vs tors. theta energy: -186.375 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: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2289.011806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.011806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.011806 (E_RNA) where: Base-Base interactions energy: -1573.363 where: short stacking energy: -669.587 Base-Backbone interact. energy: -3.071 local terms energy: -712.578007 where: bonds (distance) C4'-P energy: -149.090 bonds (distance) P-C4' energy: -150.845 flat angles C4'-P-C4' energy: -167.648 flat angles P-C4'-P energy: -100.969 tors. eta vs tors. theta energy: -144.025 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: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1934.920545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.920545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.920545 (E_RNA) where: Base-Base interactions energy: -1280.212 where: short stacking energy: -589.447 Base-Backbone interact. energy: -3.084 local terms energy: -651.624423 where: bonds (distance) C4'-P energy: -133.733 bonds (distance) P-C4' energy: -153.695 flat angles C4'-P-C4' energy: -152.642 flat angles P-C4'-P energy: -89.195 tors. eta vs tors. theta energy: -122.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1432.354096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.354096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.354096 (E_RNA) where: Base-Base interactions energy: -921.452 where: short stacking energy: -415.536 Base-Backbone interact. energy: -1.382 local terms energy: -509.520203 where: bonds (distance) C4'-P energy: -133.533 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -133.958 flat angles P-C4'-P energy: -57.368 tors. eta vs tors. theta energy: -33.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3402.983613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.983613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.983613 (E_RNA) where: Base-Base interactions energy: -2447.206 where: short stacking energy: -1013.085 Base-Backbone interact. energy: -8.030 local terms energy: -947.747610 where: bonds (distance) C4'-P energy: -167.128 bonds (distance) P-C4' energy: -174.129 flat angles C4'-P-C4' energy: -213.185 flat angles P-C4'-P energy: -133.670 tors. eta vs tors. theta energy: -259.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -3261.465359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3261.465359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3261.465359 (E_RNA) where: Base-Base interactions energy: -2309.826 where: short stacking energy: -978.710 Base-Backbone interact. energy: -6.152 local terms energy: -945.487706 where: bonds (distance) C4'-P energy: -190.316 bonds (distance) P-C4' energy: -156.574 flat angles C4'-P-C4' energy: -193.290 flat angles P-C4'-P energy: -140.641 tors. eta vs tors. theta energy: -264.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -3175.561395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.561395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.561395 (E_RNA) where: Base-Base interactions energy: -2217.506 where: short stacking energy: -970.910 Base-Backbone interact. energy: -3.052 local terms energy: -955.003617 where: bonds (distance) C4'-P energy: -172.835 bonds (distance) P-C4' energy: -165.266 flat angles C4'-P-C4' energy: -207.304 flat angles P-C4'-P energy: -145.841 tors. eta vs tors. theta energy: -263.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -3076.993507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.993507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.993507 (E_RNA) where: Base-Base interactions energy: -2161.323 where: short stacking energy: -900.915 Base-Backbone interact. energy: -5.982 local terms energy: -909.687957 where: bonds (distance) C4'-P energy: -168.697 bonds (distance) P-C4' energy: -182.446 flat angles C4'-P-C4' energy: -198.173 flat angles P-C4'-P energy: -124.983 tors. eta vs tors. theta energy: -235.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2804.040191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.040191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.040191 (E_RNA) where: Base-Base interactions energy: -1954.155 where: short stacking energy: -844.598 Base-Backbone interact. energy: 2.082 local terms energy: -851.967497 where: bonds (distance) C4'-P energy: -154.727 bonds (distance) P-C4' energy: -183.244 flat angles C4'-P-C4' energy: -179.843 flat angles P-C4'-P energy: -109.151 tors. eta vs tors. theta energy: -225.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -2693.384234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.384234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.384234 (E_RNA) where: Base-Base interactions energy: -1850.082 where: short stacking energy: -789.991 Base-Backbone interact. energy: 0.108 local terms energy: -843.409919 where: bonds (distance) C4'-P energy: -160.792 bonds (distance) P-C4' energy: -162.270 flat angles C4'-P-C4' energy: -197.632 flat angles P-C4'-P energy: -115.165 tors. eta vs tors. theta energy: -207.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2570.632340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.632340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.632340 (E_RNA) where: Base-Base interactions energy: -1812.218 where: short stacking energy: -745.657 Base-Backbone interact. energy: -4.767 local terms energy: -753.646758 where: bonds (distance) C4'-P energy: -132.438 bonds (distance) P-C4' energy: -138.573 flat angles C4'-P-C4' energy: -187.579 flat angles P-C4'-P energy: -109.921 tors. eta vs tors. theta energy: -185.136 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: 9 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -2326.270315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.270315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.270315 (E_RNA) where: Base-Base interactions energy: -1626.481 where: short stacking energy: -698.500 Base-Backbone interact. energy: 2.197 local terms energy: -701.986364 where: bonds (distance) C4'-P energy: -128.424 bonds (distance) P-C4' energy: -138.856 flat angles C4'-P-C4' energy: -156.401 flat angles P-C4'-P energy: -104.617 tors. eta vs tors. theta energy: -173.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1952.284281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.284281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.284281 (E_RNA) where: Base-Base interactions energy: -1323.073 where: short stacking energy: -592.746 Base-Backbone interact. energy: 4.397 local terms energy: -633.608380 where: bonds (distance) C4'-P energy: -149.148 bonds (distance) P-C4' energy: -140.831 flat angles C4'-P-C4' energy: -133.944 flat angles P-C4'-P energy: -96.389 tors. eta vs tors. theta energy: -113.296 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: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1424.138555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.138555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.138555 (E_RNA) where: Base-Base interactions energy: -867.819 where: short stacking energy: -378.257 Base-Backbone interact. energy: 5.080 local terms energy: -561.400352 where: bonds (distance) C4'-P energy: -152.097 bonds (distance) P-C4' energy: -162.555 flat angles C4'-P-C4' energy: -146.972 flat angles P-C4'-P energy: -67.083 tors. eta vs tors. theta energy: -32.694 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: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3412.642612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3412.642612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3412.642612 (E_RNA) where: Base-Base interactions energy: -2415.897 where: short stacking energy: -957.226 Base-Backbone interact. energy: -6.675 local terms energy: -990.070571 where: bonds (distance) C4'-P energy: -183.917 bonds (distance) P-C4' energy: -179.831 flat angles C4'-P-C4' energy: -215.713 flat angles P-C4'-P energy: -148.738 tors. eta vs tors. theta energy: -261.871 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: 5 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -3293.423562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.423562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.423562 (E_RNA) where: Base-Base interactions energy: -2335.737 where: short stacking energy: -982.736 Base-Backbone interact. energy: -1.091 local terms energy: -956.595667 where: bonds (distance) C4'-P energy: -171.112 bonds (distance) P-C4' energy: -178.555 flat angles C4'-P-C4' energy: -206.178 flat angles P-C4'-P energy: -135.679 tors. eta vs tors. theta energy: -265.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -3191.491734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.491734 (E_RNA) where: Base-Base interactions energy: -2269.920 where: short stacking energy: -972.593 Base-Backbone interact. energy: -0.845 local terms energy: -920.726771 where: bonds (distance) C4'-P energy: -151.924 bonds (distance) P-C4' energy: -181.053 flat angles C4'-P-C4' energy: -188.218 flat angles P-C4'-P energy: -131.573 tors. eta vs tors. theta energy: -267.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -3061.504954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.504954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.504954 (E_RNA) where: Base-Base interactions energy: -2145.932 where: short stacking energy: -897.444 Base-Backbone interact. energy: -4.817 local terms energy: -910.756441 where: bonds (distance) C4'-P energy: -169.283 bonds (distance) P-C4' energy: -173.236 flat angles C4'-P-C4' energy: -184.410 flat angles P-C4'-P energy: -144.515 tors. eta vs tors. theta energy: -239.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2818.588619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.588619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.588619 (E_RNA) where: Base-Base interactions energy: -1951.150 where: short stacking energy: -852.052 Base-Backbone interact. energy: -3.176 local terms energy: -864.262847 where: bonds (distance) C4'-P energy: -162.051 bonds (distance) P-C4' energy: -170.988 flat angles C4'-P-C4' energy: -186.093 flat angles P-C4'-P energy: -122.130 tors. eta vs tors. theta energy: -223.000 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: 8 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2736.860172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.860172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.860172 (E_RNA) where: Base-Base interactions energy: -1927.568 where: short stacking energy: -803.475 Base-Backbone interact. energy: 0.823 local terms energy: -810.114867 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -155.651 flat angles C4'-P-C4' energy: -174.028 flat angles P-C4'-P energy: -128.836 tors. eta vs tors. theta energy: -192.379 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: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2608.400010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.400010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.400010 (E_RNA) where: Base-Base interactions energy: -1812.057 where: short stacking energy: -747.500 Base-Backbone interact. energy: 1.681 local terms energy: -798.024581 where: bonds (distance) C4'-P energy: -156.676 bonds (distance) P-C4' energy: -146.755 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -119.899 tors. eta vs tors. theta energy: -196.787 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: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -2305.003225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.003225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.003225 (E_RNA) where: Base-Base interactions energy: -1595.013 where: short stacking energy: -679.967 Base-Backbone interact. energy: -2.599 local terms energy: -707.391672 where: bonds (distance) C4'-P energy: -148.200 bonds (distance) P-C4' energy: -146.508 flat angles C4'-P-C4' energy: -170.034 flat angles P-C4'-P energy: -96.094 tors. eta vs tors. theta energy: -146.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1971.184721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.184721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.184721 (E_RNA) where: Base-Base interactions energy: -1327.694 where: short stacking energy: -590.294 Base-Backbone interact. energy: -1.596 local terms energy: -641.894940 where: bonds (distance) C4'-P energy: -121.942 bonds (distance) P-C4' energy: -163.032 flat angles C4'-P-C4' energy: -145.962 flat angles P-C4'-P energy: -102.851 tors. eta vs tors. theta energy: -108.109 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: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1522.793541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.793541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.793541 (E_RNA) where: Base-Base interactions energy: -1009.256 where: short stacking energy: -461.731 Base-Backbone interact. energy: 1.407 local terms energy: -514.944496 where: bonds (distance) C4'-P energy: -129.300 bonds (distance) P-C4' energy: -134.325 flat angles C4'-P-C4' energy: -134.653 flat angles P-C4'-P energy: -69.351 tors. eta vs tors. theta energy: -47.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3389.303520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3389.303520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3389.303520 (E_RNA) where: Base-Base interactions energy: -2415.413 where: short stacking energy: -987.088 Base-Backbone interact. energy: -4.924 local terms energy: -968.966762 where: bonds (distance) C4'-P energy: -178.014 bonds (distance) P-C4' energy: -180.840 flat angles C4'-P-C4' energy: -199.246 flat angles P-C4'-P energy: -154.832 tors. eta vs tors. theta energy: -256.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -3285.263933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.263933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.263933 (E_RNA) where: Base-Base interactions energy: -2311.510 where: short stacking energy: -966.018 Base-Backbone interact. energy: 3.934 local terms energy: -977.688289 where: bonds (distance) C4'-P energy: -158.161 bonds (distance) P-C4' energy: -191.797 flat angles C4'-P-C4' energy: -213.135 flat angles P-C4'-P energy: -143.843 tors. eta vs tors. theta energy: -270.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -3188.131117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.131117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.131117 (E_RNA) where: Base-Base interactions energy: -2213.235 where: short stacking energy: -984.566 Base-Backbone interact. energy: -6.116 local terms energy: -968.780749 where: bonds (distance) C4'-P energy: -182.658 bonds (distance) P-C4' energy: -174.844 flat angles C4'-P-C4' energy: -209.256 flat angles P-C4'-P energy: -127.843 tors. eta vs tors. theta energy: -274.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -3032.699766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.699766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.699766 (E_RNA) where: Base-Base interactions energy: -2156.537 where: short stacking energy: -908.209 Base-Backbone interact. energy: 0.758 local terms energy: -876.921086 where: bonds (distance) C4'-P energy: -156.404 bonds (distance) P-C4' energy: -157.753 flat angles C4'-P-C4' energy: -196.646 flat angles P-C4'-P energy: -128.158 tors. eta vs tors. theta energy: -237.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2798.022985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.022985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.022985 (E_RNA) where: Base-Base interactions energy: -1941.156 where: short stacking energy: -859.890 Base-Backbone interact. energy: -4.755 local terms energy: -852.112071 where: bonds (distance) C4'-P energy: -158.285 bonds (distance) P-C4' energy: -165.795 flat angles C4'-P-C4' energy: -193.760 flat angles P-C4'-P energy: -115.649 tors. eta vs tors. theta energy: -218.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2697.088713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.088713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.088713 (E_RNA) where: Base-Base interactions energy: -1913.366 where: short stacking energy: -817.500 Base-Backbone interact. energy: 7.665 local terms energy: -791.386939 where: bonds (distance) C4'-P energy: -144.226 bonds (distance) P-C4' energy: -157.180 flat angles C4'-P-C4' energy: -181.428 flat angles P-C4'-P energy: -117.931 tors. eta vs tors. theta energy: -190.621 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2616.723715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.723715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.723715 (E_RNA) where: Base-Base interactions energy: -1849.918 where: short stacking energy: -768.023 Base-Backbone interact. energy: -0.221 local terms energy: -766.584798 where: bonds (distance) C4'-P energy: -129.787 bonds (distance) P-C4' energy: -152.099 flat angles C4'-P-C4' energy: -177.214 flat angles P-C4'-P energy: -106.405 tors. eta vs tors. theta energy: -201.080 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: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -2414.243320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.243320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.243320 (E_RNA) where: Base-Base interactions energy: -1672.478 where: short stacking energy: -728.456 Base-Backbone interact. energy: 2.084 local terms energy: -743.850230 where: bonds (distance) C4'-P energy: -148.297 bonds (distance) P-C4' energy: -162.877 flat angles C4'-P-C4' energy: -154.926 flat angles P-C4'-P energy: -111.474 tors. eta vs tors. theta energy: -166.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1977.275015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.275015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.275015 (E_RNA) where: Base-Base interactions energy: -1327.788 where: short stacking energy: -593.825 Base-Backbone interact. energy: -2.966 local terms energy: -646.520931 where: bonds (distance) C4'-P energy: -136.394 bonds (distance) P-C4' energy: -137.338 flat angles C4'-P-C4' energy: -170.334 flat angles P-C4'-P energy: -86.278 tors. eta vs tors. theta energy: -116.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1512.146434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.146434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.146434 (E_RNA) where: Base-Base interactions energy: -958.474 where: short stacking energy: -455.496 Base-Backbone interact. energy: 0.265 local terms energy: -553.937589 where: bonds (distance) C4'-P energy: -125.108 bonds (distance) P-C4' energy: -144.618 flat angles C4'-P-C4' energy: -145.353 flat angles P-C4'-P energy: -92.039 tors. eta vs tors. theta energy: -46.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3385.675715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3385.675715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3385.675715 (E_RNA) where: Base-Base interactions energy: -2377.916 where: short stacking energy: -981.550 Base-Backbone interact. energy: -4.688 local terms energy: -1003.071336 where: bonds (distance) C4'-P energy: -179.706 bonds (distance) P-C4' energy: -192.054 flat angles C4'-P-C4' energy: -216.382 flat angles P-C4'-P energy: -143.636 tors. eta vs tors. theta energy: -271.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3275.504412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.504412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.504412 (E_RNA) where: Base-Base interactions energy: -2335.774 where: short stacking energy: -959.015 Base-Backbone interact. energy: -0.790 local terms energy: -938.940883 where: bonds (distance) C4'-P energy: -147.949 bonds (distance) P-C4' energy: -163.810 flat angles C4'-P-C4' energy: -216.623 flat angles P-C4'-P energy: -148.998 tors. eta vs tors. theta energy: -261.561 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: 3, replica: 2 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -3188.848105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.848105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.848105 (E_RNA) where: Base-Base interactions energy: -2275.828 where: short stacking energy: -972.572 Base-Backbone interact. energy: -3.585 local terms energy: -909.435046 where: bonds (distance) C4'-P energy: -147.240 bonds (distance) P-C4' energy: -168.736 flat angles C4'-P-C4' energy: -197.578 flat angles P-C4'-P energy: -133.111 tors. eta vs tors. theta energy: -262.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -3032.246569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.246569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.246569 (E_RNA) where: Base-Base interactions energy: -2162.641 where: short stacking energy: -884.433 Base-Backbone interact. energy: 3.276 local terms energy: -872.881077 where: bonds (distance) C4'-P energy: -146.368 bonds (distance) P-C4' energy: -178.318 flat angles C4'-P-C4' energy: -184.613 flat angles P-C4'-P energy: -125.622 tors. eta vs tors. theta energy: -237.959 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: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2806.267666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.267666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.267666 (E_RNA) where: Base-Base interactions energy: -1953.266 where: short stacking energy: -839.327 Base-Backbone interact. energy: -5.048 local terms energy: -847.953673 where: bonds (distance) C4'-P energy: -164.486 bonds (distance) P-C4' energy: -151.296 flat angles C4'-P-C4' energy: -183.746 flat angles P-C4'-P energy: -112.124 tors. eta vs tors. theta energy: -236.302 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: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2685.139846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.139846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.139846 (E_RNA) where: Base-Base interactions energy: -1882.690 where: short stacking energy: -772.376 Base-Backbone interact. energy: -0.834 local terms energy: -801.615440 where: bonds (distance) C4'-P energy: -146.573 bonds (distance) P-C4' energy: -170.289 flat angles C4'-P-C4' energy: -186.527 flat angles P-C4'-P energy: -117.049 tors. eta vs tors. theta energy: -181.178 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: 7, replica: 7 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2647.694342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2647.694342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2647.694342 (E_RNA) where: Base-Base interactions energy: -1859.726 where: short stacking energy: -776.138 Base-Backbone interact. energy: -5.615 local terms energy: -782.353819 where: bonds (distance) C4'-P energy: -143.612 bonds (distance) P-C4' energy: -151.650 flat angles C4'-P-C4' energy: -157.614 flat angles P-C4'-P energy: -119.859 tors. eta vs tors. theta energy: -209.620 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: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -2417.540299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2417.540299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2417.540299 (E_RNA) where: Base-Base interactions energy: -1672.045 where: short stacking energy: -749.793 Base-Backbone interact. energy: 3.865 local terms energy: -749.360149 where: bonds (distance) C4'-P energy: -136.549 bonds (distance) P-C4' energy: -157.591 flat angles C4'-P-C4' energy: -176.270 flat angles P-C4'-P energy: -102.131 tors. eta vs tors. theta energy: -176.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1951.216618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.216618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.216618 (E_RNA) where: Base-Base interactions energy: -1314.288 where: short stacking energy: -572.339 Base-Backbone interact. energy: -4.223 local terms energy: -632.705724 where: bonds (distance) C4'-P energy: -128.392 bonds (distance) P-C4' energy: -139.075 flat angles C4'-P-C4' energy: -154.951 flat angles P-C4'-P energy: -108.191 tors. eta vs tors. theta energy: -102.096 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: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1506.715504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.715504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.715504 (E_RNA) where: Base-Base interactions energy: -949.462 where: short stacking energy: -441.664 Base-Backbone interact. energy: 3.414 local terms energy: -560.667411 where: bonds (distance) C4'-P energy: -156.026 bonds (distance) P-C4' energy: -152.989 flat angles C4'-P-C4' energy: -140.367 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -44.688 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: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3370.848927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3370.848927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3370.848927 (E_RNA) where: Base-Base interactions energy: -2410.297 where: short stacking energy: -999.271 Base-Backbone interact. energy: -3.147 local terms energy: -957.404032 where: bonds (distance) C4'-P energy: -176.070 bonds (distance) P-C4' energy: -181.920 flat angles C4'-P-C4' energy: -201.098 flat angles P-C4'-P energy: -133.295 tors. eta vs tors. theta energy: -265.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3257.597335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.597335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.597335 (E_RNA) where: Base-Base interactions energy: -2311.945 where: short stacking energy: -949.725 Base-Backbone interact. energy: -4.164 local terms energy: -941.488993 where: bonds (distance) C4'-P energy: -151.033 bonds (distance) P-C4' energy: -184.761 flat angles C4'-P-C4' energy: -210.970 flat angles P-C4'-P energy: -141.082 tors. eta vs tors. theta energy: -253.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -3199.201840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.201840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.201840 (E_RNA) where: Base-Base interactions energy: -2290.426 where: short stacking energy: -987.945 Base-Backbone interact. energy: -7.132 local terms energy: -901.644677 where: bonds (distance) C4'-P energy: -155.988 bonds (distance) P-C4' energy: -168.024 flat angles C4'-P-C4' energy: -201.889 flat angles P-C4'-P energy: -111.814 tors. eta vs tors. theta energy: -263.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -3035.221806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.221806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.221806 (E_RNA) where: Base-Base interactions energy: -2135.280 where: short stacking energy: -914.851 Base-Backbone interact. energy: -3.444 local terms energy: -896.498247 where: bonds (distance) C4'-P energy: -155.309 bonds (distance) P-C4' energy: -172.678 flat angles C4'-P-C4' energy: -202.495 flat angles P-C4'-P energy: -128.640 tors. eta vs tors. theta energy: -237.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2821.657527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.657527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.657527 (E_RNA) where: Base-Base interactions energy: -1981.028 where: short stacking energy: -854.085 Base-Backbone interact. energy: 2.077 local terms energy: -842.706532 where: bonds (distance) C4'-P energy: -159.837 bonds (distance) P-C4' energy: -147.119 flat angles C4'-P-C4' energy: -189.863 flat angles P-C4'-P energy: -110.148 tors. eta vs tors. theta energy: -235.740 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: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2684.747866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.747866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.747866 (E_RNA) where: Base-Base interactions energy: -1881.413 where: short stacking energy: -802.659 Base-Backbone interact. energy: -0.029 local terms energy: -803.305696 where: bonds (distance) C4'-P energy: -132.643 bonds (distance) P-C4' energy: -168.991 flat angles C4'-P-C4' energy: -193.525 flat angles P-C4'-P energy: -110.060 tors. eta vs tors. theta energy: -198.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2643.759805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.759805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.759805 (E_RNA) where: Base-Base interactions energy: -1848.702 where: short stacking energy: -760.710 Base-Backbone interact. energy: -4.512 local terms energy: -790.546288 where: bonds (distance) C4'-P energy: -149.717 bonds (distance) P-C4' energy: -158.607 flat angles C4'-P-C4' energy: -164.109 flat angles P-C4'-P energy: -106.720 tors. eta vs tors. theta energy: -211.394 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: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -2412.758467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2412.758467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2412.758467 (E_RNA) where: Base-Base interactions energy: -1704.774 where: short stacking energy: -735.865 Base-Backbone interact. energy: -2.429 local terms energy: -705.555085 where: bonds (distance) C4'-P energy: -126.249 bonds (distance) P-C4' energy: -142.312 flat angles C4'-P-C4' energy: -171.218 flat angles P-C4'-P energy: -104.569 tors. eta vs tors. theta energy: -161.206 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: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1941.156150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.156150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.156150 (E_RNA) where: Base-Base interactions energy: -1309.920 where: short stacking energy: -592.416 Base-Backbone interact. energy: -0.289 local terms energy: -630.947338 where: bonds (distance) C4'-P energy: -135.878 bonds (distance) P-C4' energy: -142.130 flat angles C4'-P-C4' energy: -138.706 flat angles P-C4'-P energy: -99.454 tors. eta vs tors. theta energy: -114.780 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: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1500.890983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.890983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.890983 (E_RNA) where: Base-Base interactions energy: -942.939 where: short stacking energy: -423.714 Base-Backbone interact. energy: 4.579 local terms energy: -562.531137 where: bonds (distance) C4'-P energy: -143.024 bonds (distance) P-C4' energy: -152.115 flat angles C4'-P-C4' energy: -156.365 flat angles P-C4'-P energy: -71.820 tors. eta vs tors. theta energy: -39.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3365.740904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.740904 (E_RNA) where: Base-Base interactions energy: -2370.692 where: short stacking energy: -973.941 Base-Backbone interact. energy: -2.613 local terms energy: -992.435678 where: bonds (distance) C4'-P energy: -187.221 bonds (distance) P-C4' energy: -191.949 flat angles C4'-P-C4' energy: -200.455 flat angles P-C4'-P energy: -150.734 tors. eta vs tors. theta energy: -262.077 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: 5 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3273.176197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.176197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.176197 (E_RNA) where: Base-Base interactions energy: -2337.718 where: short stacking energy: -997.474 Base-Backbone interact. energy: 9.806 local terms energy: -945.263749 where: bonds (distance) C4'-P energy: -181.392 bonds (distance) P-C4' energy: -175.616 flat angles C4'-P-C4' energy: -200.936 flat angles P-C4'-P energy: -136.263 tors. eta vs tors. theta energy: -251.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -3212.119461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.119461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.119461 (E_RNA) where: Base-Base interactions energy: -2283.467 where: short stacking energy: -983.134 Base-Backbone interact. energy: -1.940 local terms energy: -926.712767 where: bonds (distance) C4'-P energy: -160.954 bonds (distance) P-C4' energy: -168.801 flat angles C4'-P-C4' energy: -194.864 flat angles P-C4'-P energy: -130.983 tors. eta vs tors. theta energy: -271.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -3043.225187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.225187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.225187 (E_RNA) where: Base-Base interactions energy: -2137.501 where: short stacking energy: -887.585 Base-Backbone interact. energy: -3.028 local terms energy: -902.695972 where: bonds (distance) C4'-P energy: -166.630 bonds (distance) P-C4' energy: -177.811 flat angles C4'-P-C4' energy: -188.063 flat angles P-C4'-P energy: -142.135 tors. eta vs tors. theta energy: -228.058 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: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2820.261265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.261265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.261265 (E_RNA) where: Base-Base interactions energy: -1985.366 where: short stacking energy: -860.405 Base-Backbone interact. energy: 1.931 local terms energy: -836.826387 where: bonds (distance) C4'-P energy: -160.565 bonds (distance) P-C4' energy: -162.679 flat angles C4'-P-C4' energy: -174.039 flat angles P-C4'-P energy: -107.676 tors. eta vs tors. theta energy: -231.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2658.917328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.917328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.917328 (E_RNA) where: Base-Base interactions energy: -1895.464 where: short stacking energy: -775.991 Base-Backbone interact. energy: 1.551 local terms energy: -765.005055 where: bonds (distance) C4'-P energy: -121.956 bonds (distance) P-C4' energy: -173.396 flat angles C4'-P-C4' energy: -194.612 flat angles P-C4'-P energy: -94.658 tors. eta vs tors. theta energy: -180.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2657.115389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.115389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.115389 (E_RNA) where: Base-Base interactions energy: -1896.364 where: short stacking energy: -788.064 Base-Backbone interact. energy: -3.394 local terms energy: -757.357169 where: bonds (distance) C4'-P energy: -145.660 bonds (distance) P-C4' energy: -127.310 flat angles C4'-P-C4' energy: -176.306 flat angles P-C4'-P energy: -109.969 tors. eta vs tors. theta energy: -198.112 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: 9 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -2421.095350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.095350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.095350 (E_RNA) where: Base-Base interactions energy: -1702.098 where: short stacking energy: -728.452 Base-Backbone interact. energy: 5.739 local terms energy: -724.736277 where: bonds (distance) C4'-P energy: -144.560 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -163.714 flat angles P-C4'-P energy: -102.220 tors. eta vs tors. theta energy: -160.545 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: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1936.277510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.277510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.277510 (E_RNA) where: Base-Base interactions energy: -1313.033 where: short stacking energy: -584.835 Base-Backbone interact. energy: -0.128 local terms energy: -623.117258 where: bonds (distance) C4'-P energy: -142.901 bonds (distance) P-C4' energy: -144.227 flat angles C4'-P-C4' energy: -129.774 flat angles P-C4'-P energy: -105.696 tors. eta vs tors. theta energy: -100.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1556.928232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.928232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.928232 (E_RNA) where: Base-Base interactions energy: -1056.897 where: short stacking energy: -451.965 Base-Backbone interact. energy: 3.162 local terms energy: -503.192925 where: bonds (distance) C4'-P energy: -103.399 bonds (distance) P-C4' energy: -133.920 flat angles C4'-P-C4' energy: -134.072 flat angles P-C4'-P energy: -81.251 tors. eta vs tors. theta energy: -50.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3362.855863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.855863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.855863 (E_RNA) where: Base-Base interactions energy: -2384.092 where: short stacking energy: -967.862 Base-Backbone interact. energy: 2.147 local terms energy: -980.911074 where: bonds (distance) C4'-P energy: -186.141 bonds (distance) P-C4' energy: -178.907 flat angles C4'-P-C4' energy: -221.783 flat angles P-C4'-P energy: -134.858 tors. eta vs tors. theta energy: -259.221 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: 5 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -3265.246565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.246565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.246565 (E_RNA) where: Base-Base interactions energy: -2326.018 where: short stacking energy: -970.583 Base-Backbone interact. energy: 1.099 local terms energy: -940.327127 where: bonds (distance) C4'-P energy: -184.553 bonds (distance) P-C4' energy: -172.117 flat angles C4'-P-C4' energy: -199.933 flat angles P-C4'-P energy: -132.258 tors. eta vs tors. theta energy: -251.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -3228.765990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.765990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.765990 (E_RNA) where: Base-Base interactions energy: -2279.432 where: short stacking energy: -977.231 Base-Backbone interact. energy: -3.887 local terms energy: -945.447471 where: bonds (distance) C4'-P energy: -172.856 bonds (distance) P-C4' energy: -190.881 flat angles C4'-P-C4' energy: -192.030 flat angles P-C4'-P energy: -120.549 tors. eta vs tors. theta energy: -269.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -3031.249685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.249685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.249685 (E_RNA) where: Base-Base interactions energy: -2149.029 where: short stacking energy: -920.398 Base-Backbone interact. energy: 1.466 local terms energy: -883.686341 where: bonds (distance) C4'-P energy: -170.761 bonds (distance) P-C4' energy: -161.008 flat angles C4'-P-C4' energy: -192.703 flat angles P-C4'-P energy: -121.849 tors. eta vs tors. theta energy: -237.365 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: 1 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2816.417744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2816.417744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2816.417744 (E_RNA) where: Base-Base interactions energy: -1956.725 where: short stacking energy: -826.591 Base-Backbone interact. energy: 0.582 local terms energy: -860.275190 where: bonds (distance) C4'-P energy: -170.724 bonds (distance) P-C4' energy: -163.877 flat angles C4'-P-C4' energy: -189.438 flat angles P-C4'-P energy: -108.891 tors. eta vs tors. theta energy: -227.345 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: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2711.836888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.836888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.836888 (E_RNA) where: Base-Base interactions energy: -1897.092 where: short stacking energy: -785.803 Base-Backbone interact. energy: -0.019 local terms energy: -814.725462 where: bonds (distance) C4'-P energy: -163.491 bonds (distance) P-C4' energy: -168.926 flat angles C4'-P-C4' energy: -171.908 flat angles P-C4'-P energy: -113.419 tors. eta vs tors. theta energy: -196.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2552.315354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.315354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.315354 (E_RNA) where: Base-Base interactions energy: -1813.299 where: short stacking energy: -746.664 Base-Backbone interact. energy: 10.978 local terms energy: -749.994186 where: bonds (distance) C4'-P energy: -138.749 bonds (distance) P-C4' energy: -161.025 flat angles C4'-P-C4' energy: -159.847 flat angles P-C4'-P energy: -117.960 tors. eta vs tors. theta energy: -172.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -2473.943968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.943968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.943968 (E_RNA) where: Base-Base interactions energy: -1678.010 where: short stacking energy: -744.129 Base-Backbone interact. energy: 0.099 local terms energy: -796.032786 where: bonds (distance) C4'-P energy: -146.286 bonds (distance) P-C4' energy: -180.108 flat angles C4'-P-C4' energy: -173.243 flat angles P-C4'-P energy: -121.459 tors. eta vs tors. theta energy: -174.937 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: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1874.953634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.953634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.953634 (E_RNA) where: Base-Base interactions energy: -1240.837 where: short stacking energy: -548.086 Base-Backbone interact. energy: 4.537 local terms energy: -638.652700 where: bonds (distance) C4'-P energy: -143.597 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -154.267 flat angles P-C4'-P energy: -97.191 tors. eta vs tors. theta energy: -95.678 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: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1523.221798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.221798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.221798 (E_RNA) where: Base-Base interactions energy: -976.668 where: short stacking energy: -462.363 Base-Backbone interact. energy: 5.994 local terms energy: -552.547580 where: bonds (distance) C4'-P energy: -135.235 bonds (distance) P-C4' energy: -131.896 flat angles C4'-P-C4' energy: -145.742 flat angles P-C4'-P energy: -74.384 tors. eta vs tors. theta energy: -65.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3386.172953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3386.172953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3386.172953 (E_RNA) where: Base-Base interactions energy: -2418.247 where: short stacking energy: -955.021 Base-Backbone interact. energy: -3.300 local terms energy: -964.626245 where: bonds (distance) C4'-P energy: -184.569 bonds (distance) P-C4' energy: -182.300 flat angles C4'-P-C4' energy: -206.484 flat angles P-C4'-P energy: -137.990 tors. eta vs tors. theta energy: -253.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3294.690418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.690418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.690418 (E_RNA) where: Base-Base interactions energy: -2319.371 where: short stacking energy: -971.516 Base-Backbone interact. energy: -3.191 local terms energy: -972.129258 where: bonds (distance) C4'-P energy: -178.653 bonds (distance) P-C4' energy: -185.842 flat angles C4'-P-C4' energy: -209.066 flat angles P-C4'-P energy: -140.303 tors. eta vs tors. theta energy: -258.264 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: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -3199.770508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.770508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.770508 (E_RNA) where: Base-Base interactions energy: -2257.409 where: short stacking energy: -976.516 Base-Backbone interact. energy: -3.522 local terms energy: -938.840306 where: bonds (distance) C4'-P energy: -175.739 bonds (distance) P-C4' energy: -177.524 flat angles C4'-P-C4' energy: -196.525 flat angles P-C4'-P energy: -116.219 tors. eta vs tors. theta energy: -272.833 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: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -3010.692357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.692357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.692357 (E_RNA) where: Base-Base interactions energy: -2124.188 where: short stacking energy: -892.532 Base-Backbone interact. energy: -3.230 local terms energy: -883.273902 where: bonds (distance) C4'-P energy: -151.184 bonds (distance) P-C4' energy: -161.070 flat angles C4'-P-C4' energy: -208.935 flat angles P-C4'-P energy: -119.871 tors. eta vs tors. theta energy: -242.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2823.200074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.200074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.200074 (E_RNA) where: Base-Base interactions energy: -1966.526 where: short stacking energy: -876.065 Base-Backbone interact. energy: -1.951 local terms energy: -854.722289 where: bonds (distance) C4'-P energy: -160.998 bonds (distance) P-C4' energy: -166.010 flat angles C4'-P-C4' energy: -186.956 flat angles P-C4'-P energy: -114.353 tors. eta vs tors. theta energy: -226.406 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: 7 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2675.413279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.413279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.413279 (E_RNA) where: Base-Base interactions energy: -1879.756 where: short stacking energy: -791.232 Base-Backbone interact. energy: 9.139 local terms energy: -804.796328 where: bonds (distance) C4'-P energy: -153.885 bonds (distance) P-C4' energy: -151.070 flat angles C4'-P-C4' energy: -191.778 flat angles P-C4'-P energy: -104.505 tors. eta vs tors. theta energy: -203.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2486.343577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.343577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.343577 (E_RNA) where: Base-Base interactions energy: -1748.950 where: short stacking energy: -753.720 Base-Backbone interact. energy: -1.951 local terms energy: -735.442508 where: bonds (distance) C4'-P energy: -151.412 bonds (distance) P-C4' energy: -141.970 flat angles C4'-P-C4' energy: -185.197 flat angles P-C4'-P energy: -94.686 tors. eta vs tors. theta energy: -162.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -2407.369386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.369386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.369386 (E_RNA) where: Base-Base interactions energy: -1655.702 where: short stacking energy: -720.569 Base-Backbone interact. energy: -4.017 local terms energy: -747.650937 where: bonds (distance) C4'-P energy: -138.401 bonds (distance) P-C4' energy: -180.412 flat angles C4'-P-C4' energy: -150.911 flat angles P-C4'-P energy: -102.717 tors. eta vs tors. theta energy: -175.211 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: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1880.847523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.847523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.847523 (E_RNA) where: Base-Base interactions energy: -1244.849 where: short stacking energy: -544.371 Base-Backbone interact. energy: 0.975 local terms energy: -636.974093 where: bonds (distance) C4'-P energy: -135.799 bonds (distance) P-C4' energy: -159.979 flat angles C4'-P-C4' energy: -146.310 flat angles P-C4'-P energy: -98.258 tors. eta vs tors. theta energy: -96.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1482.748226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.748226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.748226 (E_RNA) where: Base-Base interactions energy: -954.634 where: short stacking energy: -438.316 Base-Backbone interact. energy: -1.730 local terms energy: -526.384328 where: bonds (distance) C4'-P energy: -132.141 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -110.662 flat angles P-C4'-P energy: -72.039 tors. eta vs tors. theta energy: -52.241 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: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3409.919870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3409.919870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3409.919870 (E_RNA) where: Base-Base interactions energy: -2442.087 where: short stacking energy: -985.899 Base-Backbone interact. energy: -2.515 local terms energy: -965.317934 where: bonds (distance) C4'-P energy: -163.563 bonds (distance) P-C4' energy: -189.984 flat angles C4'-P-C4' energy: -202.782 flat angles P-C4'-P energy: -140.876 tors. eta vs tors. theta energy: -268.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3272.060085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.060085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.060085 (E_RNA) where: Base-Base interactions energy: -2345.086 where: short stacking energy: -965.104 Base-Backbone interact. energy: -1.318 local terms energy: -925.655493 where: bonds (distance) C4'-P energy: -163.156 bonds (distance) P-C4' energy: -177.122 flat angles C4'-P-C4' energy: -200.654 flat angles P-C4'-P energy: -131.476 tors. eta vs tors. theta energy: -253.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -3219.674193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.674193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.674193 (E_RNA) where: Base-Base interactions energy: -2288.797 where: short stacking energy: -968.295 Base-Backbone interact. energy: -7.859 local terms energy: -923.018123 where: bonds (distance) C4'-P energy: -173.345 bonds (distance) P-C4' energy: -183.317 flat angles C4'-P-C4' energy: -193.558 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -257.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2990.079426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.079426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.079426 (E_RNA) where: Base-Base interactions energy: -2119.192 where: short stacking energy: -897.893 Base-Backbone interact. energy: 1.066 local terms energy: -871.952573 where: bonds (distance) C4'-P energy: -164.551 bonds (distance) P-C4' energy: -163.547 flat angles C4'-P-C4' energy: -193.223 flat angles P-C4'-P energy: -115.570 tors. eta vs tors. theta energy: -235.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2827.586967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.586967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.586967 (E_RNA) where: Base-Base interactions energy: -1953.828 where: short stacking energy: -847.951 Base-Backbone interact. energy: -0.268 local terms energy: -873.491139 where: bonds (distance) C4'-P energy: -170.039 bonds (distance) P-C4' energy: -177.798 flat angles C4'-P-C4' energy: -189.436 flat angles P-C4'-P energy: -116.281 tors. eta vs tors. theta energy: -219.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2745.099662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.099662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.099662 (E_RNA) where: Base-Base interactions energy: -1918.156 where: short stacking energy: -793.324 Base-Backbone interact. energy: -3.945 local terms energy: -822.998752 where: bonds (distance) C4'-P energy: -167.308 bonds (distance) P-C4' energy: -146.585 flat angles C4'-P-C4' energy: -173.903 flat angles P-C4'-P energy: -122.474 tors. eta vs tors. theta energy: -212.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2413.008076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.008076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.008076 (E_RNA) where: Base-Base interactions energy: -1720.446 where: short stacking energy: -732.195 Base-Backbone interact. energy: 0.790 local terms energy: -693.351977 where: bonds (distance) C4'-P energy: -136.602 bonds (distance) P-C4' energy: -156.323 flat angles C4'-P-C4' energy: -139.942 flat angles P-C4'-P energy: -98.580 tors. eta vs tors. theta energy: -161.905 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: 9 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -2425.723872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.723872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.723872 (E_RNA) where: Base-Base interactions energy: -1672.070 where: short stacking energy: -720.959 Base-Backbone interact. energy: 6.900 local terms energy: -760.553720 where: bonds (distance) C4'-P energy: -138.388 bonds (distance) P-C4' energy: -165.163 flat angles C4'-P-C4' energy: -170.852 flat angles P-C4'-P energy: -104.283 tors. eta vs tors. theta energy: -181.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1909.764423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.764423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.764423 (E_RNA) where: Base-Base interactions energy: -1288.983 where: short stacking energy: -569.037 Base-Backbone interact. energy: 0.457 local terms energy: -621.238114 where: bonds (distance) C4'-P energy: -127.752 bonds (distance) P-C4' energy: -148.048 flat angles C4'-P-C4' energy: -144.788 flat angles P-C4'-P energy: -90.529 tors. eta vs tors. theta energy: -110.122 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: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1421.958535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.958535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.958535 (E_RNA) where: Base-Base interactions energy: -882.962 where: short stacking energy: -414.615 Base-Backbone interact. energy: 4.800 local terms energy: -543.797229 where: bonds (distance) C4'-P energy: -163.436 bonds (distance) P-C4' energy: -129.142 flat angles C4'-P-C4' energy: -134.283 flat angles P-C4'-P energy: -82.078 tors. eta vs tors. theta energy: -34.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3388.589264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3388.589264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3388.589264 (E_RNA) where: Base-Base interactions energy: -2390.116 where: short stacking energy: -980.291 Base-Backbone interact. energy: -5.349 local terms energy: -993.124430 where: bonds (distance) C4'-P energy: -184.662 bonds (distance) P-C4' energy: -186.442 flat angles C4'-P-C4' energy: -211.331 flat angles P-C4'-P energy: -141.235 tors. eta vs tors. theta energy: -269.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3310.811441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.811441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.811441 (E_RNA) where: Base-Base interactions energy: -2342.002 where: short stacking energy: -968.751 Base-Backbone interact. energy: -1.051 local terms energy: -967.758091 where: bonds (distance) C4'-P energy: -186.147 bonds (distance) P-C4' energy: -154.591 flat angles C4'-P-C4' energy: -221.375 flat angles P-C4'-P energy: -150.377 tors. eta vs tors. theta energy: -255.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -3230.931036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.931036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.931036 (E_RNA) where: Base-Base interactions energy: -2286.738 where: short stacking energy: -989.191 Base-Backbone interact. energy: -3.481 local terms energy: -940.712015 where: bonds (distance) C4'-P energy: -171.795 bonds (distance) P-C4' energy: -182.771 flat angles C4'-P-C4' energy: -199.421 flat angles P-C4'-P energy: -115.264 tors. eta vs tors. theta energy: -271.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -3058.655967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.655967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.655967 (E_RNA) where: Base-Base interactions energy: -2182.066 where: short stacking energy: -904.474 Base-Backbone interact. energy: -2.055 local terms energy: -874.534621 where: bonds (distance) C4'-P energy: -173.463 bonds (distance) P-C4' energy: -169.974 flat angles C4'-P-C4' energy: -182.437 flat angles P-C4'-P energy: -122.059 tors. eta vs tors. theta energy: -226.601 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: 1 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2831.309763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.309763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.309763 (E_RNA) where: Base-Base interactions energy: -1935.077 where: short stacking energy: -838.447 Base-Backbone interact. energy: -2.268 local terms energy: -893.964868 where: bonds (distance) C4'-P energy: -176.796 bonds (distance) P-C4' energy: -154.386 flat angles C4'-P-C4' energy: -193.199 flat angles P-C4'-P energy: -134.974 tors. eta vs tors. theta energy: -234.610 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: 6, replica: 7 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2701.352060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.352060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.352060 (E_RNA) where: Base-Base interactions energy: -1888.689 where: short stacking energy: -793.602 Base-Backbone interact. energy: 8.512 local terms energy: -821.174595 where: bonds (distance) C4'-P energy: -152.031 bonds (distance) P-C4' energy: -165.422 flat angles C4'-P-C4' energy: -191.219 flat angles P-C4'-P energy: -106.185 tors. eta vs tors. theta energy: -206.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2547.467062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.467062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.467062 (E_RNA) where: Base-Base interactions energy: -1754.965 where: short stacking energy: -820.265 Base-Backbone interact. energy: 1.918 local terms energy: -794.420465 where: bonds (distance) C4'-P energy: -152.609 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -174.402 flat angles P-C4'-P energy: -112.113 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: 8, replica: 8 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -2340.509441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.509441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.509441 (E_RNA) where: Base-Base interactions energy: -1632.454 where: short stacking energy: -677.341 Base-Backbone interact. energy: 2.625 local terms energy: -710.680124 where: bonds (distance) C4'-P energy: -150.181 bonds (distance) P-C4' energy: -139.968 flat angles C4'-P-C4' energy: -167.506 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -163.081 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: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1885.125273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.125273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.125273 (E_RNA) where: Base-Base interactions energy: -1259.166 where: short stacking energy: -557.766 Base-Backbone interact. energy: -0.698 local terms energy: -625.261501 where: bonds (distance) C4'-P energy: -129.167 bonds (distance) P-C4' energy: -157.107 flat angles C4'-P-C4' energy: -164.433 flat angles P-C4'-P energy: -87.621 tors. eta vs tors. theta energy: -86.933 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: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1424.588642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.588642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.588642 (E_RNA) where: Base-Base interactions energy: -920.217 where: short stacking energy: -415.670 Base-Backbone interact. energy: 2.793 local terms energy: -507.165091 where: bonds (distance) C4'-P energy: -108.550 bonds (distance) P-C4' energy: -129.613 flat angles C4'-P-C4' energy: -161.229 flat angles P-C4'-P energy: -78.457 tors. eta vs tors. theta energy: -29.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3404.377784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3404.377784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3404.377784 (E_RNA) where: Base-Base interactions energy: -2411.130 where: short stacking energy: -991.986 Base-Backbone interact. energy: -6.969 local terms energy: -986.278606 where: bonds (distance) C4'-P energy: -185.403 bonds (distance) P-C4' energy: -172.338 flat angles C4'-P-C4' energy: -216.819 flat angles P-C4'-P energy: -141.825 tors. eta vs tors. theta energy: -269.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -3276.125099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.125099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.125099 (E_RNA) where: Base-Base interactions energy: -2340.800 where: short stacking energy: -954.488 Base-Backbone interact. energy: 1.299 local terms energy: -936.623606 where: bonds (distance) C4'-P energy: -171.629 bonds (distance) P-C4' energy: -183.682 flat angles C4'-P-C4' energy: -194.407 flat angles P-C4'-P energy: -137.775 tors. eta vs tors. theta energy: -249.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -3226.690855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.690855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.690855 (E_RNA) where: Base-Base interactions energy: -2262.104 where: short stacking energy: -952.398 Base-Backbone interact. energy: -7.345 local terms energy: -957.241617 where: bonds (distance) C4'-P energy: -168.799 bonds (distance) P-C4' energy: -190.637 flat angles C4'-P-C4' energy: -208.511 flat angles P-C4'-P energy: -134.966 tors. eta vs tors. theta energy: -254.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -3064.779486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.779486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.779486 (E_RNA) where: Base-Base interactions energy: -2137.133 where: short stacking energy: -916.942 Base-Backbone interact. energy: -4.604 local terms energy: -923.043296 where: bonds (distance) C4'-P energy: -177.221 bonds (distance) P-C4' energy: -159.509 flat angles C4'-P-C4' energy: -214.696 flat angles P-C4'-P energy: -132.365 tors. eta vs tors. theta energy: -239.252 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: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2802.664082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.664082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.664082 (E_RNA) where: Base-Base interactions energy: -1951.332 where: short stacking energy: -854.645 Base-Backbone interact. energy: -0.623 local terms energy: -850.709236 where: bonds (distance) C4'-P energy: -170.148 bonds (distance) P-C4' energy: -172.513 flat angles C4'-P-C4' energy: -168.286 flat angles P-C4'-P energy: -114.593 tors. eta vs tors. theta energy: -225.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2719.393218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.393218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.393218 (E_RNA) where: Base-Base interactions energy: -1886.518 where: short stacking energy: -793.278 Base-Backbone interact. energy: -5.083 local terms energy: -827.791478 where: bonds (distance) C4'-P energy: -148.296 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -191.933 flat angles P-C4'-P energy: -118.959 tors. eta vs tors. theta energy: -199.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2559.095376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.095376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.095376 (E_RNA) where: Base-Base interactions energy: -1797.810 where: short stacking energy: -806.308 Base-Backbone interact. energy: 0.087 local terms energy: -761.372315 where: bonds (distance) C4'-P energy: -149.665 bonds (distance) P-C4' energy: -129.740 flat angles C4'-P-C4' energy: -184.087 flat angles P-C4'-P energy: -102.459 tors. eta vs tors. theta energy: -195.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -2361.195682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.195682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.195682 (E_RNA) where: Base-Base interactions energy: -1674.090 where: short stacking energy: -669.853 Base-Backbone interact. energy: -0.052 local terms energy: -687.053677 where: bonds (distance) C4'-P energy: -127.481 bonds (distance) P-C4' energy: -144.369 flat angles C4'-P-C4' energy: -154.326 flat angles P-C4'-P energy: -106.557 tors. eta vs tors. theta energy: -154.321 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: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1898.876575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.876575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.876575 (E_RNA) where: Base-Base interactions energy: -1253.998 where: short stacking energy: -554.534 Base-Backbone interact. energy: -2.079 local terms energy: -642.799461 where: bonds (distance) C4'-P energy: -133.027 bonds (distance) P-C4' energy: -163.753 flat angles C4'-P-C4' energy: -158.843 flat angles P-C4'-P energy: -84.493 tors. eta vs tors. theta energy: -102.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1460.153978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.153978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.153978 (E_RNA) where: Base-Base interactions energy: -945.330 where: short stacking energy: -443.901 Base-Backbone interact. energy: 0.236 local terms energy: -515.060559 where: bonds (distance) C4'-P energy: -135.559 bonds (distance) P-C4' energy: -142.558 flat angles C4'-P-C4' energy: -146.197 flat angles P-C4'-P energy: -61.264 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: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3387.229889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.229889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.229889 (E_RNA) where: Base-Base interactions energy: -2405.959 where: short stacking energy: -996.129 Base-Backbone interact. energy: -7.397 local terms energy: -973.874669 where: bonds (distance) C4'-P energy: -186.144 bonds (distance) P-C4' energy: -172.427 flat angles C4'-P-C4' energy: -209.842 flat angles P-C4'-P energy: -143.847 tors. eta vs tors. theta energy: -261.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -3233.921468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.921468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.921468 (E_RNA) where: Base-Base interactions energy: -2313.220 where: short stacking energy: -941.062 Base-Backbone interact. energy: -1.672 local terms energy: -919.029571 where: bonds (distance) C4'-P energy: -162.017 bonds (distance) P-C4' energy: -175.697 flat angles C4'-P-C4' energy: -199.500 flat angles P-C4'-P energy: -136.529 tors. eta vs tors. theta energy: -245.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -3210.761702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.761702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.761702 (E_RNA) where: Base-Base interactions energy: -2249.178 where: short stacking energy: -945.508 Base-Backbone interact. energy: -0.918 local terms energy: -960.665895 where: bonds (distance) C4'-P energy: -181.726 bonds (distance) P-C4' energy: -178.770 flat angles C4'-P-C4' energy: -201.900 flat angles P-C4'-P energy: -133.118 tors. eta vs tors. theta energy: -265.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -3057.857412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.857412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.857412 (E_RNA) where: Base-Base interactions energy: -2137.848 where: short stacking energy: -887.454 Base-Backbone interact. energy: 3.582 local terms energy: -923.591428 where: bonds (distance) C4'-P energy: -173.465 bonds (distance) P-C4' energy: -180.215 flat angles C4'-P-C4' energy: -204.711 flat angles P-C4'-P energy: -126.144 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: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2805.948470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.948470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.948470 (E_RNA) where: Base-Base interactions energy: -1970.349 where: short stacking energy: -865.111 Base-Backbone interact. energy: -1.805 local terms energy: -833.794557 where: bonds (distance) C4'-P energy: -157.258 bonds (distance) P-C4' energy: -149.515 flat angles C4'-P-C4' energy: -197.705 flat angles P-C4'-P energy: -109.261 tors. eta vs tors. theta energy: -220.056 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: 7 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2770.240528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.240528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.240528 (E_RNA) where: Base-Base interactions energy: -1953.052 where: short stacking energy: -799.564 Base-Backbone interact. energy: 0.638 local terms energy: -817.827014 where: bonds (distance) C4'-P energy: -164.828 bonds (distance) P-C4' energy: -155.035 flat angles C4'-P-C4' energy: -181.869 flat angles P-C4'-P energy: -120.558 tors. eta vs tors. theta energy: -195.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2563.341696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.341696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.341696 (E_RNA) where: Base-Base interactions energy: -1732.596 where: short stacking energy: -761.320 Base-Backbone interact. energy: -0.296 local terms energy: -830.450151 where: bonds (distance) C4'-P energy: -165.728 bonds (distance) P-C4' energy: -167.737 flat angles C4'-P-C4' energy: -181.472 flat angles P-C4'-P energy: -137.612 tors. eta vs tors. theta energy: -177.901 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: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2393.700874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.700874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.700874 (E_RNA) where: Base-Base interactions energy: -1689.414 where: short stacking energy: -734.355 Base-Backbone interact. energy: 1.135 local terms energy: -705.421508 where: bonds (distance) C4'-P energy: -128.853 bonds (distance) P-C4' energy: -149.445 flat angles C4'-P-C4' energy: -149.882 flat angles P-C4'-P energy: -101.785 tors. eta vs tors. theta energy: -175.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1890.857287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.857287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.857287 (E_RNA) where: Base-Base interactions energy: -1227.250 where: short stacking energy: -568.756 Base-Backbone interact. energy: -1.224 local terms energy: -662.383260 where: bonds (distance) C4'-P energy: -160.010 bonds (distance) P-C4' energy: -149.235 flat angles C4'-P-C4' energy: -160.055 flat angles P-C4'-P energy: -90.117 tors. eta vs tors. theta energy: -102.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1432.613963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.613963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.613963 (E_RNA) where: Base-Base interactions energy: -868.338 where: short stacking energy: -391.922 Base-Backbone interact. energy: 0.842 local terms energy: -565.117951 where: bonds (distance) C4'-P energy: -166.814 bonds (distance) P-C4' energy: -146.285 flat angles C4'-P-C4' energy: -140.173 flat angles P-C4'-P energy: -75.315 tors. eta vs tors. theta energy: -36.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3365.950982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.950982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.950982 (E_RNA) where: Base-Base interactions energy: -2379.823 where: short stacking energy: -974.320 Base-Backbone interact. energy: -5.571 local terms energy: -980.556129 where: bonds (distance) C4'-P energy: -178.359 bonds (distance) P-C4' energy: -178.814 flat angles C4'-P-C4' energy: -206.178 flat angles P-C4'-P energy: -144.809 tors. eta vs tors. theta energy: -272.396 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: 5 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -3291.629628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.629628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.629628 (E_RNA) where: Base-Base interactions energy: -2323.881 where: short stacking energy: -928.583 Base-Backbone interact. energy: -5.303 local terms energy: -962.444778 where: bonds (distance) C4'-P energy: -182.004 bonds (distance) P-C4' energy: -185.285 flat angles C4'-P-C4' energy: -202.439 flat angles P-C4'-P energy: -137.150 tors. eta vs tors. theta energy: -255.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -3249.246497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.246497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.246497 (E_RNA) where: Base-Base interactions energy: -2303.566 where: short stacking energy: -991.001 Base-Backbone interact. energy: -5.622 local terms energy: -940.057701 where: bonds (distance) C4'-P energy: -185.509 bonds (distance) P-C4' energy: -176.203 flat angles C4'-P-C4' energy: -194.475 flat angles P-C4'-P energy: -119.179 tors. eta vs tors. theta energy: -264.693 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: 4 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -3045.401704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.401704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.401704 (E_RNA) where: Base-Base interactions energy: -2161.753 where: short stacking energy: -878.099 Base-Backbone interact. energy: -1.313 local terms energy: -882.335430 where: bonds (distance) C4'-P energy: -163.011 bonds (distance) P-C4' energy: -177.245 flat angles C4'-P-C4' energy: -189.981 flat angles P-C4'-P energy: -124.670 tors. eta vs tors. theta energy: -227.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2764.469158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.469158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.469158 (E_RNA) where: Base-Base interactions energy: -1895.841 where: short stacking energy: -827.676 Base-Backbone interact. energy: 1.525 local terms energy: -870.152944 where: bonds (distance) C4'-P energy: -164.688 bonds (distance) P-C4' energy: -171.572 flat angles C4'-P-C4' energy: -183.098 flat angles P-C4'-P energy: -133.455 tors. eta vs tors. theta energy: -217.341 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: 281 Temperature: 1.150000 Total energy: -2701.086638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.086638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.086638 (E_RNA) where: Base-Base interactions energy: -1897.083 where: short stacking energy: -810.772 Base-Backbone interact. energy: -3.615 local terms energy: -800.387779 where: bonds (distance) C4'-P energy: -157.740 bonds (distance) P-C4' energy: -175.751 flat angles C4'-P-C4' energy: -176.166 flat angles P-C4'-P energy: -91.633 tors. eta vs tors. theta energy: -199.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2570.681326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.681326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.681326 (E_RNA) where: Base-Base interactions energy: -1779.753 where: short stacking energy: -769.603 Base-Backbone interact. energy: -3.214 local terms energy: -787.713709 where: bonds (distance) C4'-P energy: -143.940 bonds (distance) P-C4' energy: -166.377 flat angles C4'-P-C4' energy: -184.574 flat angles P-C4'-P energy: -113.233 tors. eta vs tors. theta energy: -179.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2304.459589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.459589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.459589 (E_RNA) where: Base-Base interactions energy: -1545.230 where: short stacking energy: -649.019 Base-Backbone interact. energy: -2.167 local terms energy: -757.063154 where: bonds (distance) C4'-P energy: -158.468 bonds (distance) P-C4' energy: -160.131 flat angles C4'-P-C4' energy: -178.429 flat angles P-C4'-P energy: -102.202 tors. eta vs tors. theta energy: -157.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1932.779679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.779679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.779679 (E_RNA) where: Base-Base interactions energy: -1290.705 where: short stacking energy: -583.838 Base-Backbone interact. energy: -0.435 local terms energy: -641.640138 where: bonds (distance) C4'-P energy: -142.278 bonds (distance) P-C4' energy: -153.053 flat angles C4'-P-C4' energy: -141.984 flat angles P-C4'-P energy: -100.437 tors. eta vs tors. theta energy: -103.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1494.564241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.564241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.564241 (E_RNA) where: Base-Base interactions energy: -919.538 where: short stacking energy: -451.601 Base-Backbone interact. energy: 2.416 local terms energy: -577.441880 where: bonds (distance) C4'-P energy: -142.691 bonds (distance) P-C4' energy: -147.341 flat angles C4'-P-C4' energy: -131.788 flat angles P-C4'-P energy: -95.143 tors. eta vs tors. theta energy: -60.479 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: 5 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3351.713078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.713078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.713078 (E_RNA) where: Base-Base interactions energy: -2381.317 where: short stacking energy: -996.362 Base-Backbone interact. energy: 0.209 local terms energy: -970.604584 where: bonds (distance) C4'-P energy: -175.001 bonds (distance) P-C4' energy: -181.668 flat angles C4'-P-C4' energy: -203.164 flat angles P-C4'-P energy: -147.931 tors. eta vs tors. theta energy: -262.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -3254.284200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.284200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.284200 (E_RNA) where: Base-Base interactions energy: -2323.196 where: short stacking energy: -948.129 Base-Backbone interact. energy: -3.980 local terms energy: -927.108695 where: bonds (distance) C4'-P energy: -183.039 bonds (distance) P-C4' energy: -159.291 flat angles C4'-P-C4' energy: -208.037 flat angles P-C4'-P energy: -125.236 tors. eta vs tors. theta energy: -251.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -3240.997263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.997263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.997263 (E_RNA) where: Base-Base interactions energy: -2285.673 where: short stacking energy: -993.601 Base-Backbone interact. energy: -5.091 local terms energy: -950.233029 where: bonds (distance) C4'-P energy: -166.747 bonds (distance) P-C4' energy: -163.317 flat angles C4'-P-C4' energy: -206.635 flat angles P-C4'-P energy: -135.335 tors. eta vs tors. theta energy: -278.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -3075.369288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.369288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.369288 (E_RNA) where: Base-Base interactions energy: -2196.796 where: short stacking energy: -922.654 Base-Backbone interact. energy: -1.600 local terms energy: -876.972706 where: bonds (distance) C4'-P energy: -156.947 bonds (distance) P-C4' energy: -171.411 flat angles C4'-P-C4' energy: -193.947 flat angles P-C4'-P energy: -120.628 tors. eta vs tors. theta energy: -234.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2814.799707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.799707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.799707 (E_RNA) where: Base-Base interactions energy: -1974.739 where: short stacking energy: -861.571 Base-Backbone interact. energy: 2.140 local terms energy: -842.200834 where: bonds (distance) C4'-P energy: -156.300 bonds (distance) P-C4' energy: -163.749 flat angles C4'-P-C4' energy: -181.666 flat angles P-C4'-P energy: -122.788 tors. eta vs tors. theta energy: -217.698 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: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2739.144696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.144696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.144696 (E_RNA) where: Base-Base interactions energy: -1903.370 where: short stacking energy: -805.802 Base-Backbone interact. energy: -2.715 local terms energy: -833.060037 where: bonds (distance) C4'-P energy: -161.150 bonds (distance) P-C4' energy: -153.169 flat angles C4'-P-C4' energy: -175.832 flat angles P-C4'-P energy: -112.348 tors. eta vs tors. theta energy: -230.561 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: 7, replica: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2575.267338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.267338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.267338 (E_RNA) where: Base-Base interactions energy: -1819.532 where: short stacking energy: -789.133 Base-Backbone interact. energy: 1.892 local terms energy: -757.627304 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -155.261 flat angles C4'-P-C4' energy: -173.980 flat angles P-C4'-P energy: -97.028 tors. eta vs tors. theta energy: -189.389 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: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2263.237113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.237113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.237113 (E_RNA) where: Base-Base interactions energy: -1528.565 where: short stacking energy: -668.268 Base-Backbone interact. energy: 2.708 local terms energy: -737.379838 where: bonds (distance) C4'-P energy: -145.410 bonds (distance) P-C4' energy: -157.915 flat angles C4'-P-C4' energy: -172.240 flat angles P-C4'-P energy: -92.754 tors. eta vs tors. theta energy: -169.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1937.297556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.297556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.297556 (E_RNA) where: Base-Base interactions energy: -1260.046 where: short stacking energy: -541.123 Base-Backbone interact. energy: -1.235 local terms energy: -676.015870 where: bonds (distance) C4'-P energy: -161.687 bonds (distance) P-C4' energy: -149.938 flat angles C4'-P-C4' energy: -149.624 flat angles P-C4'-P energy: -92.240 tors. eta vs tors. theta energy: -122.527 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: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1516.143823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.143823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.143823 (E_RNA) where: Base-Base interactions energy: -967.838 where: short stacking energy: -448.831 Base-Backbone interact. energy: 1.953 local terms energy: -550.258917 where: bonds (distance) C4'-P energy: -122.409 bonds (distance) P-C4' energy: -149.903 flat angles C4'-P-C4' energy: -138.676 flat angles P-C4'-P energy: -70.493 tors. eta vs tors. theta energy: -68.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3408.512358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.512358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.512358 (E_RNA) where: Base-Base interactions energy: -2443.246 where: short stacking energy: -981.537 Base-Backbone interact. energy: -0.772 local terms energy: -964.494303 where: bonds (distance) C4'-P energy: -181.653 bonds (distance) P-C4' energy: -163.900 flat angles C4'-P-C4' energy: -210.795 flat angles P-C4'-P energy: -151.023 tors. eta vs tors. theta energy: -257.123 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: 6 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -3242.621088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.621088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.621088 (E_RNA) where: Base-Base interactions energy: -2326.081 where: short stacking energy: -926.331 Base-Backbone interact. energy: -2.303 local terms energy: -914.237526 where: bonds (distance) C4'-P energy: -146.510 bonds (distance) P-C4' energy: -170.724 flat angles C4'-P-C4' energy: -207.737 flat angles P-C4'-P energy: -144.575 tors. eta vs tors. theta energy: -244.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -3251.668330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.668330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.668330 (E_RNA) where: Base-Base interactions energy: -2295.453 where: short stacking energy: -1007.199 Base-Backbone interact. energy: -6.189 local terms energy: -950.025924 where: bonds (distance) C4'-P energy: -176.940 bonds (distance) P-C4' energy: -176.043 flat angles C4'-P-C4' energy: -191.311 flat angles P-C4'-P energy: -131.647 tors. eta vs tors. theta energy: -274.085 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: 283 Temperature: 1.050000 Total energy: -3059.508792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.508792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.508792 (E_RNA) where: Base-Base interactions energy: -2208.861 where: short stacking energy: -887.037 Base-Backbone interact. energy: -2.119 local terms energy: -848.528665 where: bonds (distance) C4'-P energy: -146.996 bonds (distance) P-C4' energy: -166.245 flat angles C4'-P-C4' energy: -187.722 flat angles P-C4'-P energy: -115.910 tors. eta vs tors. theta energy: -231.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2903.312718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.312718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.312718 (E_RNA) where: Base-Base interactions energy: -2022.346 where: short stacking energy: -858.042 Base-Backbone interact. energy: -6.410 local terms energy: -874.556612 where: bonds (distance) C4'-P energy: -176.427 bonds (distance) P-C4' energy: -154.085 flat angles C4'-P-C4' energy: -181.601 flat angles P-C4'-P energy: -135.735 tors. eta vs tors. theta energy: -226.708 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: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2714.209381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.209381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.209381 (E_RNA) where: Base-Base interactions energy: -1872.400 where: short stacking energy: -815.205 Base-Backbone interact. energy: -1.357 local terms energy: -840.451948 where: bonds (distance) C4'-P energy: -155.013 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -183.175 flat angles P-C4'-P energy: -127.379 tors. eta vs tors. theta energy: -217.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2528.295532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.295532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.295532 (E_RNA) where: Base-Base interactions energy: -1767.217 where: short stacking energy: -762.228 Base-Backbone interact. energy: -4.520 local terms energy: -756.558140 where: bonds (distance) C4'-P energy: -120.684 bonds (distance) P-C4' energy: -172.068 flat angles C4'-P-C4' energy: -178.700 flat angles P-C4'-P energy: -105.481 tors. eta vs tors. theta energy: -179.624 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: 8 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2210.105459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.105459 (E_RNA) where: Base-Base interactions energy: -1486.756 where: short stacking energy: -636.600 Base-Backbone interact. energy: 1.231 local terms energy: -724.581040 where: bonds (distance) C4'-P energy: -154.237 bonds (distance) P-C4' energy: -152.523 flat angles C4'-P-C4' energy: -162.249 flat angles P-C4'-P energy: -120.352 tors. eta vs tors. theta energy: -135.220 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: 3 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1960.550793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.550793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.550793 (E_RNA) where: Base-Base interactions energy: -1297.382 where: short stacking energy: -567.511 Base-Backbone interact. energy: -0.921 local terms energy: -662.248701 where: bonds (distance) C4'-P energy: -158.745 bonds (distance) P-C4' energy: -135.913 flat angles C4'-P-C4' energy: -149.122 flat angles P-C4'-P energy: -103.271 tors. eta vs tors. theta energy: -115.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1511.905278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.905278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.905278 (E_RNA) where: Base-Base interactions energy: -979.791 where: short stacking energy: -441.588 Base-Backbone interact. energy: 2.015 local terms energy: -534.129087 where: bonds (distance) C4'-P energy: -125.047 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -128.052 flat angles P-C4'-P energy: -86.493 tors. eta vs tors. theta energy: -48.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3375.023667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3375.023667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3375.023667 (E_RNA) where: Base-Base interactions energy: -2400.415 where: short stacking energy: -997.025 Base-Backbone interact. energy: -2.566 local terms energy: -972.042859 where: bonds (distance) C4'-P energy: -180.611 bonds (distance) P-C4' energy: -185.119 flat angles C4'-P-C4' energy: -203.917 flat angles P-C4'-P energy: -142.566 tors. eta vs tors. theta energy: -259.830 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: 6 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -3240.851073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.851073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.851073 (E_RNA) where: Base-Base interactions energy: -2339.454 where: short stacking energy: -912.104 Base-Backbone interact. energy: -3.705 local terms energy: -897.692015 where: bonds (distance) C4'-P energy: -158.769 bonds (distance) P-C4' energy: -173.025 flat angles C4'-P-C4' energy: -190.678 flat angles P-C4'-P energy: -139.648 tors. eta vs tors. theta energy: -235.573 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: 2 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -3270.554857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.554857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.554857 (E_RNA) where: Base-Base interactions energy: -2312.526 where: short stacking energy: -981.523 Base-Backbone interact. energy: -8.493 local terms energy: -949.536208 where: bonds (distance) C4'-P energy: -161.800 bonds (distance) P-C4' energy: -186.523 flat angles C4'-P-C4' energy: -197.018 flat angles P-C4'-P energy: -130.120 tors. eta vs tors. theta energy: -274.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -3026.845557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.845557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.845557 (E_RNA) where: Base-Base interactions energy: -2159.077 where: short stacking energy: -850.059 Base-Backbone interact. energy: 5.767 local terms energy: -873.535746 where: bonds (distance) C4'-P energy: -162.171 bonds (distance) P-C4' energy: -186.959 flat angles C4'-P-C4' energy: -182.473 flat angles P-C4'-P energy: -138.778 tors. eta vs tors. theta energy: -203.156 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: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2865.188174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.188174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.188174 (E_RNA) where: Base-Base interactions energy: -2034.629 where: short stacking energy: -851.804 Base-Backbone interact. energy: -7.656 local terms energy: -822.903330 where: bonds (distance) C4'-P energy: -155.264 bonds (distance) P-C4' energy: -171.985 flat angles C4'-P-C4' energy: -180.333 flat angles P-C4'-P energy: -110.823 tors. eta vs tors. theta energy: -204.498 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2735.888469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.888469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.888469 (E_RNA) where: Base-Base interactions energy: -1898.467 where: short stacking energy: -810.854 Base-Backbone interact. energy: 2.477 local terms energy: -839.898230 where: bonds (distance) C4'-P energy: -155.065 bonds (distance) P-C4' energy: -178.093 flat angles C4'-P-C4' energy: -177.734 flat angles P-C4'-P energy: -111.372 tors. eta vs tors. theta energy: -217.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2554.825293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.825293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.825293 (E_RNA) where: Base-Base interactions energy: -1791.683 where: short stacking energy: -772.991 Base-Backbone interact. energy: -3.571 local terms energy: -759.571143 where: bonds (distance) C4'-P energy: -144.838 bonds (distance) P-C4' energy: -147.593 flat angles C4'-P-C4' energy: -177.595 flat angles P-C4'-P energy: -114.496 tors. eta vs tors. theta energy: -175.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2279.358425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2279.358425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2279.358425 (E_RNA) where: Base-Base interactions energy: -1575.900 where: short stacking energy: -660.351 Base-Backbone interact. energy: 6.738 local terms energy: -710.196961 where: bonds (distance) C4'-P energy: -147.846 bonds (distance) P-C4' energy: -149.115 flat angles C4'-P-C4' energy: -160.648 flat angles P-C4'-P energy: -107.926 tors. eta vs tors. theta energy: -144.662 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: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1931.621216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.621216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.621216 (E_RNA) where: Base-Base interactions energy: -1283.233 where: short stacking energy: -591.182 Base-Backbone interact. energy: 0.962 local terms energy: -649.350101 where: bonds (distance) C4'-P energy: -139.012 bonds (distance) P-C4' energy: -146.665 flat angles C4'-P-C4' energy: -159.024 flat angles P-C4'-P energy: -92.481 tors. eta vs tors. theta energy: -112.168 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: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1480.902394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.902394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.902394 (E_RNA) where: Base-Base interactions energy: -911.376 where: short stacking energy: -438.276 Base-Backbone interact. energy: -1.348 local terms energy: -568.178170 where: bonds (distance) C4'-P energy: -133.107 bonds (distance) P-C4' energy: -148.882 flat angles C4'-P-C4' energy: -144.464 flat angles P-C4'-P energy: -77.380 tors. eta vs tors. theta energy: -64.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3356.279877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.279877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.279877 (E_RNA) where: Base-Base interactions energy: -2390.566 where: short stacking energy: -985.029 Base-Backbone interact. energy: 1.508 local terms energy: -967.221168 where: bonds (distance) C4'-P energy: -175.262 bonds (distance) P-C4' energy: -188.773 flat angles C4'-P-C4' energy: -197.733 flat angles P-C4'-P energy: -150.238 tors. eta vs tors. theta energy: -255.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -3273.958272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.958272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.958272 (E_RNA) where: Base-Base interactions energy: -2332.803 where: short stacking energy: -953.046 Base-Backbone interact. energy: 0.687 local terms energy: -941.842652 where: bonds (distance) C4'-P energy: -164.519 bonds (distance) P-C4' energy: -183.939 flat angles C4'-P-C4' energy: -198.497 flat angles P-C4'-P energy: -143.842 tors. eta vs tors. theta energy: -251.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -3238.476001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.476001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.476001 (E_RNA) where: Base-Base interactions energy: -2308.822 where: short stacking energy: -976.089 Base-Backbone interact. energy: -4.347 local terms energy: -925.307411 where: bonds (distance) C4'-P energy: -150.784 bonds (distance) P-C4' energy: -174.053 flat angles C4'-P-C4' energy: -192.564 flat angles P-C4'-P energy: -136.910 tors. eta vs tors. theta energy: -270.996 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: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -3013.830272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.830272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.830272 (E_RNA) where: Base-Base interactions energy: -2150.170 where: short stacking energy: -870.636 Base-Backbone interact. energy: 7.031 local terms energy: -870.690557 where: bonds (distance) C4'-P energy: -148.899 bonds (distance) P-C4' energy: -179.024 flat angles C4'-P-C4' energy: -187.847 flat angles P-C4'-P energy: -130.209 tors. eta vs tors. theta energy: -224.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2925.491196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.491196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.491196 (E_RNA) where: Base-Base interactions energy: -2060.540 where: short stacking energy: -901.043 Base-Backbone interact. energy: 1.628 local terms energy: -866.579049 where: bonds (distance) C4'-P energy: -151.154 bonds (distance) P-C4' energy: -156.999 flat angles C4'-P-C4' energy: -198.407 flat angles P-C4'-P energy: -131.410 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: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2751.781060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.781060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.781060 (E_RNA) where: Base-Base interactions energy: -1935.605 where: short stacking energy: -845.975 Base-Backbone interact. energy: 1.216 local terms energy: -817.392559 where: bonds (distance) C4'-P energy: -142.464 bonds (distance) P-C4' energy: -149.870 flat angles C4'-P-C4' energy: -169.978 flat angles P-C4'-P energy: -141.836 tors. eta vs tors. theta energy: -213.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2525.671963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.671963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.671963 (E_RNA) where: Base-Base interactions energy: -1735.622 where: short stacking energy: -773.519 Base-Backbone interact. energy: -1.194 local terms energy: -788.856220 where: bonds (distance) C4'-P energy: -151.195 bonds (distance) P-C4' energy: -174.627 flat angles C4'-P-C4' energy: -174.602 flat angles P-C4'-P energy: -116.038 tors. eta vs tors. theta energy: -172.394 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: 8, replica: 8 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2273.538910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.538910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.538910 (E_RNA) where: Base-Base interactions energy: -1562.836 where: short stacking energy: -664.961 Base-Backbone interact. energy: -3.080 local terms energy: -707.623136 where: bonds (distance) C4'-P energy: -149.845 bonds (distance) P-C4' energy: -138.499 flat angles C4'-P-C4' energy: -159.623 flat angles P-C4'-P energy: -111.551 tors. eta vs tors. theta energy: -148.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1940.453682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.453682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.453682 (E_RNA) where: Base-Base interactions energy: -1297.057 where: short stacking energy: -588.642 Base-Backbone interact. energy: 9.227 local terms energy: -652.624027 where: bonds (distance) C4'-P energy: -155.798 bonds (distance) P-C4' energy: -149.686 flat angles C4'-P-C4' energy: -143.277 flat angles P-C4'-P energy: -87.812 tors. eta vs tors. theta energy: -116.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1516.038923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.038923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.038923 (E_RNA) where: Base-Base interactions energy: -970.406 where: short stacking energy: -481.541 Base-Backbone interact. energy: -2.443 local terms energy: -543.189871 where: bonds (distance) C4'-P energy: -124.932 bonds (distance) P-C4' energy: -141.911 flat angles C4'-P-C4' energy: -141.233 flat angles P-C4'-P energy: -69.309 tors. eta vs tors. theta energy: -65.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3374.998557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3374.998557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3374.998557 (E_RNA) where: Base-Base interactions energy: -2435.150 where: short stacking energy: -1002.723 Base-Backbone interact. energy: 5.616 local terms energy: -945.464983 where: bonds (distance) C4'-P energy: -169.969 bonds (distance) P-C4' energy: -180.924 flat angles C4'-P-C4' energy: -207.277 flat angles P-C4'-P energy: -131.483 tors. eta vs tors. theta energy: -255.812 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: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -3234.948047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.948047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.948047 (E_RNA) where: Base-Base interactions energy: -2307.260 where: short stacking energy: -932.913 Base-Backbone interact. energy: -5.500 local terms energy: -922.188486 where: bonds (distance) C4'-P energy: -176.402 bonds (distance) P-C4' energy: -187.861 flat angles C4'-P-C4' energy: -186.177 flat angles P-C4'-P energy: -120.658 tors. eta vs tors. theta energy: -251.091 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: 2 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -3231.869640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.869640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.869640 (E_RNA) where: Base-Base interactions energy: -2302.321 where: short stacking energy: -994.937 Base-Backbone interact. energy: -4.602 local terms energy: -924.945875 where: bonds (distance) C4'-P energy: -155.610 bonds (distance) P-C4' energy: -171.343 flat angles C4'-P-C4' energy: -189.111 flat angles P-C4'-P energy: -136.884 tors. eta vs tors. theta energy: -271.999 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: 286 Temperature: 1.050000 Total energy: -3053.978317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.978317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.978317 (E_RNA) where: Base-Base interactions energy: -2181.732 where: short stacking energy: -907.551 Base-Backbone interact. energy: -6.250 local terms energy: -865.996397 where: bonds (distance) C4'-P energy: -158.769 bonds (distance) P-C4' energy: -160.254 flat angles C4'-P-C4' energy: -187.428 flat angles P-C4'-P energy: -138.299 tors. eta vs tors. theta energy: -221.246 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: 286 Temperature: 1.100000 Total energy: -2923.782847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.782847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.782847 (E_RNA) where: Base-Base interactions energy: -2080.529 where: short stacking energy: -877.776 Base-Backbone interact. energy: -0.541 local terms energy: -842.712030 where: bonds (distance) C4'-P energy: -144.003 bonds (distance) P-C4' energy: -153.755 flat angles C4'-P-C4' energy: -193.630 flat angles P-C4'-P energy: -119.784 tors. eta vs tors. theta energy: -231.540 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: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2696.542632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.542632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.542632 (E_RNA) where: Base-Base interactions energy: -1855.192 where: short stacking energy: -806.075 Base-Backbone interact. energy: -1.443 local terms energy: -839.906950 where: bonds (distance) C4'-P energy: -171.498 bonds (distance) P-C4' energy: -151.409 flat angles C4'-P-C4' energy: -190.539 flat angles P-C4'-P energy: -118.138 tors. eta vs tors. theta energy: -208.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2525.553394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.553394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.553394 (E_RNA) where: Base-Base interactions energy: -1739.953 where: short stacking energy: -763.278 Base-Backbone interact. energy: -0.220 local terms energy: -785.379755 where: bonds (distance) C4'-P energy: -165.258 bonds (distance) P-C4' energy: -152.725 flat angles C4'-P-C4' energy: -172.035 flat angles P-C4'-P energy: -109.581 tors. eta vs tors. theta energy: -185.781 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: 8 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -2219.396955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.396955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.396955 (E_RNA) where: Base-Base interactions energy: -1545.689 where: short stacking energy: -629.276 Base-Backbone interact. energy: 1.059 local terms energy: -674.767048 where: bonds (distance) C4'-P energy: -134.531 bonds (distance) P-C4' energy: -164.945 flat angles C4'-P-C4' energy: -144.807 flat angles P-C4'-P energy: -87.379 tors. eta vs tors. theta energy: -143.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1994.035671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.035671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.035671 (E_RNA) where: Base-Base interactions energy: -1383.545 where: short stacking energy: -620.871 Base-Backbone interact. energy: -1.145 local terms energy: -609.346607 where: bonds (distance) C4'-P energy: -129.274 bonds (distance) P-C4' energy: -138.795 flat angles C4'-P-C4' energy: -146.331 flat angles P-C4'-P energy: -80.701 tors. eta vs tors. theta energy: -114.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1428.320469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.320469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.320469 (E_RNA) where: Base-Base interactions energy: -865.349 where: short stacking energy: -427.648 Base-Backbone interact. energy: 3.347 local terms energy: -566.318542 where: bonds (distance) C4'-P energy: -143.130 bonds (distance) P-C4' energy: -150.760 flat angles C4'-P-C4' energy: -136.284 flat angles P-C4'-P energy: -79.694 tors. eta vs tors. theta energy: -56.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3372.570918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3372.570918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3372.570918 (E_RNA) where: Base-Base interactions energy: -2385.313 where: short stacking energy: -988.076 Base-Backbone interact. energy: 1.387 local terms energy: -988.644076 where: bonds (distance) C4'-P energy: -189.192 bonds (distance) P-C4' energy: -194.794 flat angles C4'-P-C4' energy: -208.814 flat angles P-C4'-P energy: -144.862 tors. eta vs tors. theta energy: -250.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -3321.373253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.373253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.373253 (E_RNA) where: Base-Base interactions energy: -2344.031 where: short stacking energy: -1000.936 Base-Backbone interact. energy: -1.123 local terms energy: -976.219106 where: bonds (distance) C4'-P energy: -173.261 bonds (distance) P-C4' energy: -196.849 flat angles C4'-P-C4' energy: -201.742 flat angles P-C4'-P energy: -129.245 tors. eta vs tors. theta energy: -275.122 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: 287 Temperature: 1.000000 Total energy: -3230.292754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.292754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.292754 (E_RNA) where: Base-Base interactions energy: -2315.148 where: short stacking energy: -934.329 Base-Backbone interact. energy: -5.150 local terms energy: -909.994561 where: bonds (distance) C4'-P energy: -165.116 bonds (distance) P-C4' energy: -170.102 flat angles C4'-P-C4' energy: -196.543 flat angles P-C4'-P energy: -131.504 tors. eta vs tors. theta energy: -246.730 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: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -3021.073693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.073693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.073693 (E_RNA) where: Base-Base interactions energy: -2140.383 where: short stacking energy: -903.036 Base-Backbone interact. energy: -0.780 local terms energy: -879.910581 where: bonds (distance) C4'-P energy: -165.732 bonds (distance) P-C4' energy: -173.254 flat angles C4'-P-C4' energy: -191.915 flat angles P-C4'-P energy: -124.964 tors. eta vs tors. theta energy: -224.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2907.526758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.526758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.526758 (E_RNA) where: Base-Base interactions energy: -2055.512 where: short stacking energy: -875.639 Base-Backbone interact. energy: -2.665 local terms energy: -849.349954 where: bonds (distance) C4'-P energy: -151.102 bonds (distance) P-C4' energy: -150.563 flat angles C4'-P-C4' energy: -202.279 flat angles P-C4'-P energy: -114.550 tors. eta vs tors. theta energy: -230.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2741.216156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.216156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.216156 (E_RNA) where: Base-Base interactions energy: -1866.974 where: short stacking energy: -798.152 Base-Backbone interact. energy: -0.911 local terms energy: -873.330992 where: bonds (distance) C4'-P energy: -149.736 bonds (distance) P-C4' energy: -178.662 flat angles C4'-P-C4' energy: -184.367 flat angles P-C4'-P energy: -126.149 tors. eta vs tors. theta energy: -234.416 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: 9 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2592.123164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.123164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.123164 (E_RNA) where: Base-Base interactions energy: -1796.734 where: short stacking energy: -775.454 Base-Backbone interact. energy: -3.032 local terms energy: -792.357795 where: bonds (distance) C4'-P energy: -164.779 bonds (distance) P-C4' energy: -159.338 flat angles C4'-P-C4' energy: -169.727 flat angles P-C4'-P energy: -101.292 tors. eta vs tors. theta energy: -197.223 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: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -2207.452466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.452466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.452466 (E_RNA) where: Base-Base interactions energy: -1528.792 where: short stacking energy: -670.509 Base-Backbone interact. energy: -1.619 local terms energy: -677.042117 where: bonds (distance) C4'-P energy: -137.835 bonds (distance) P-C4' energy: -148.066 flat angles C4'-P-C4' energy: -155.826 flat angles P-C4'-P energy: -103.130 tors. eta vs tors. theta energy: -132.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1962.852061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.852061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.852061 (E_RNA) where: Base-Base interactions energy: -1331.901 where: short stacking energy: -594.222 Base-Backbone interact. energy: 1.066 local terms energy: -632.016842 where: bonds (distance) C4'-P energy: -119.010 bonds (distance) P-C4' energy: -152.401 flat angles C4'-P-C4' energy: -162.498 flat angles P-C4'-P energy: -96.800 tors. eta vs tors. theta energy: -101.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1392.019420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.019420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.019420 (E_RNA) where: Base-Base interactions energy: -861.619 where: short stacking energy: -379.789 Base-Backbone interact. energy: -0.243 local terms energy: -530.157248 where: bonds (distance) C4'-P energy: -130.961 bonds (distance) P-C4' energy: -157.427 flat angles C4'-P-C4' energy: -138.588 flat angles P-C4'-P energy: -84.542 tors. eta vs tors. theta energy: -18.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3417.299834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.299834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.299834 (E_RNA) where: Base-Base interactions energy: -2406.348 where: short stacking energy: -1016.833 Base-Backbone interact. energy: -4.315 local terms energy: -1006.636430 where: bonds (distance) C4'-P energy: -173.854 bonds (distance) P-C4' energy: -199.971 flat angles C4'-P-C4' energy: -205.466 flat angles P-C4'-P energy: -138.011 tors. eta vs tors. theta energy: -289.335 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: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -3321.237228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.237228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.237228 (E_RNA) where: Base-Base interactions energy: -2345.343 where: short stacking energy: -973.914 Base-Backbone interact. energy: -1.935 local terms energy: -973.959633 where: bonds (distance) C4'-P energy: -179.443 bonds (distance) P-C4' energy: -173.087 flat angles C4'-P-C4' energy: -210.765 flat angles P-C4'-P energy: -146.796 tors. eta vs tors. theta energy: -263.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -3247.244859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.244859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.244859 (E_RNA) where: Base-Base interactions energy: -2320.163 where: short stacking energy: -937.094 Base-Backbone interact. energy: -8.019 local terms energy: -919.062508 where: bonds (distance) C4'-P energy: -178.022 bonds (distance) P-C4' energy: -154.830 flat angles C4'-P-C4' energy: -206.060 flat angles P-C4'-P energy: -129.400 tors. eta vs tors. theta energy: -250.750 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: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -3041.042372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.042372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.042372 (E_RNA) where: Base-Base interactions energy: -2153.973 where: short stacking energy: -886.543 Base-Backbone interact. energy: 4.244 local terms energy: -891.313648 where: bonds (distance) C4'-P energy: -165.525 bonds (distance) P-C4' energy: -159.414 flat angles C4'-P-C4' energy: -207.609 flat angles P-C4'-P energy: -139.871 tors. eta vs tors. theta energy: -218.894 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: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2866.107662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.107662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.107662 (E_RNA) where: Base-Base interactions energy: -1996.761 where: short stacking energy: -845.512 Base-Backbone interact. energy: -5.252 local terms energy: -864.095278 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -174.063 flat angles C4'-P-C4' energy: -194.949 flat angles P-C4'-P energy: -129.616 tors. eta vs tors. theta energy: -212.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2752.713939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2752.713939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2752.713939 (E_RNA) where: Base-Base interactions energy: -1945.919 where: short stacking energy: -828.814 Base-Backbone interact. energy: -1.876 local terms energy: -804.919057 where: bonds (distance) C4'-P energy: -153.268 bonds (distance) P-C4' energy: -154.126 flat angles C4'-P-C4' energy: -162.499 flat angles P-C4'-P energy: -112.992 tors. eta vs tors. theta energy: -222.034 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: 9 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2525.120421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.120421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.120421 (E_RNA) where: Base-Base interactions energy: -1791.520 where: short stacking energy: -744.086 Base-Backbone interact. energy: -4.206 local terms energy: -729.393591 where: bonds (distance) C4'-P energy: -137.807 bonds (distance) P-C4' energy: -145.450 flat angles C4'-P-C4' energy: -164.083 flat angles P-C4'-P energy: -108.188 tors. eta vs tors. theta energy: -173.865 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: 8 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -2184.835179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.835179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.835179 (E_RNA) where: Base-Base interactions energy: -1457.210 where: short stacking energy: -624.246 Base-Backbone interact. energy: -1.543 local terms energy: -726.082143 where: bonds (distance) C4'-P energy: -165.655 bonds (distance) P-C4' energy: -156.629 flat angles C4'-P-C4' energy: -163.630 flat angles P-C4'-P energy: -99.695 tors. eta vs tors. theta energy: -140.472 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: 3 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -2012.399905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.399905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.399905 (E_RNA) where: Base-Base interactions energy: -1328.473 where: short stacking energy: -642.650 Base-Backbone interact. energy: 2.110 local terms energy: -686.036529 where: bonds (distance) C4'-P energy: -140.486 bonds (distance) P-C4' energy: -160.661 flat angles C4'-P-C4' energy: -164.283 flat angles P-C4'-P energy: -72.057 tors. eta vs tors. theta energy: -148.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1478.122278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.122278 (E_RNA) where: Base-Base interactions energy: -889.497 where: short stacking energy: -440.188 Base-Backbone interact. energy: 5.813 local terms energy: -594.437708 where: bonds (distance) C4'-P energy: -139.110 bonds (distance) P-C4' energy: -176.132 flat angles C4'-P-C4' energy: -130.386 flat angles P-C4'-P energy: -90.856 tors. eta vs tors. theta energy: -57.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3439.748962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.748962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.748962 (E_RNA) where: Base-Base interactions energy: -2437.437 where: short stacking energy: -1036.837 Base-Backbone interact. energy: -7.814 local terms energy: -994.498544 where: bonds (distance) C4'-P energy: -190.551 bonds (distance) P-C4' energy: -158.473 flat angles C4'-P-C4' energy: -212.683 flat angles P-C4'-P energy: -149.243 tors. eta vs tors. theta energy: -283.548 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: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -3269.042047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.042047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.042047 (E_RNA) where: Base-Base interactions energy: -2325.438 where: short stacking energy: -947.842 Base-Backbone interact. energy: -1.845 local terms energy: -941.758590 where: bonds (distance) C4'-P energy: -171.682 bonds (distance) P-C4' energy: -177.868 flat angles C4'-P-C4' energy: -210.546 flat angles P-C4'-P energy: -123.498 tors. eta vs tors. theta energy: -258.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -3211.008873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.008873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.008873 (E_RNA) where: Base-Base interactions energy: -2283.502 where: short stacking energy: -947.819 Base-Backbone interact. energy: -3.449 local terms energy: -924.058096 where: bonds (distance) C4'-P energy: -183.355 bonds (distance) P-C4' energy: -172.685 flat angles C4'-P-C4' energy: -213.616 flat angles P-C4'-P energy: -102.362 tors. eta vs tors. theta energy: -252.040 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: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -3066.210079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.210079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.210079 (E_RNA) where: Base-Base interactions energy: -2179.957 where: short stacking energy: -885.602 Base-Backbone interact. energy: -1.102 local terms energy: -885.151586 where: bonds (distance) C4'-P energy: -160.905 bonds (distance) P-C4' energy: -165.843 flat angles C4'-P-C4' energy: -197.171 flat angles P-C4'-P energy: -128.714 tors. eta vs tors. theta energy: -232.518 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: 289 Temperature: 1.100000 Total energy: -2955.155173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.155173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.155173 (E_RNA) where: Base-Base interactions energy: -2118.704 where: short stacking energy: -917.045 Base-Backbone interact. energy: -4.935 local terms energy: -831.516602 where: bonds (distance) C4'-P energy: -146.645 bonds (distance) P-C4' energy: -162.270 flat angles C4'-P-C4' energy: -183.387 flat angles P-C4'-P energy: -107.782 tors. eta vs tors. theta energy: -231.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2743.648250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.648250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.648250 (E_RNA) where: Base-Base interactions energy: -1910.023 where: short stacking energy: -828.187 Base-Backbone interact. energy: -0.744 local terms energy: -832.881182 where: bonds (distance) C4'-P energy: -148.820 bonds (distance) P-C4' energy: -155.354 flat angles C4'-P-C4' energy: -185.771 flat angles P-C4'-P energy: -116.904 tors. eta vs tors. theta energy: -226.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2629.615311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.615311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.615311 (E_RNA) where: Base-Base interactions energy: -1836.459 where: short stacking energy: -777.858 Base-Backbone interact. energy: -0.676 local terms energy: -792.480506 where: bonds (distance) C4'-P energy: -145.370 bonds (distance) P-C4' energy: -164.573 flat angles C4'-P-C4' energy: -190.327 flat angles P-C4'-P energy: -106.181 tors. eta vs tors. theta energy: -186.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -2087.344775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2087.344775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2087.344775 (E_RNA) where: Base-Base interactions energy: -1389.426 where: short stacking energy: -577.868 Base-Backbone interact. energy: 0.645 local terms energy: -698.563697 where: bonds (distance) C4'-P energy: -150.451 bonds (distance) P-C4' energy: -149.713 flat angles C4'-P-C4' energy: -173.749 flat angles P-C4'-P energy: -102.617 tors. eta vs tors. theta energy: -122.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1992.110067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.110067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.110067 (E_RNA) where: Base-Base interactions energy: -1340.214 where: short stacking energy: -606.851 Base-Backbone interact. energy: -4.352 local terms energy: -647.544278 where: bonds (distance) C4'-P energy: -129.028 bonds (distance) P-C4' energy: -155.621 flat angles C4'-P-C4' energy: -145.455 flat angles P-C4'-P energy: -96.895 tors. eta vs tors. theta energy: -120.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1509.065393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.065393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.065393 (E_RNA) where: Base-Base interactions energy: -928.939 where: short stacking energy: -441.990 Base-Backbone interact. energy: 2.387 local terms energy: -582.513390 where: bonds (distance) C4'-P energy: -134.930 bonds (distance) P-C4' energy: -149.813 flat angles C4'-P-C4' energy: -143.410 flat angles P-C4'-P energy: -104.229 tors. eta vs tors. theta energy: -50.131 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: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3439.692783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.692783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.692783 (E_RNA) where: Base-Base interactions energy: -2437.873 where: short stacking energy: -1020.499 Base-Backbone interact. energy: -3.034 local terms energy: -998.785646 where: bonds (distance) C4'-P energy: -175.576 bonds (distance) P-C4' energy: -173.826 flat angles C4'-P-C4' energy: -210.283 flat angles P-C4'-P energy: -151.768 tors. eta vs tors. theta energy: -287.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3268.687614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.687614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.687614 (E_RNA) where: Base-Base interactions energy: -2311.834 where: short stacking energy: -988.186 Base-Backbone interact. energy: -1.374 local terms energy: -955.479831 where: bonds (distance) C4'-P energy: -175.504 bonds (distance) P-C4' energy: -178.805 flat angles C4'-P-C4' energy: -199.274 flat angles P-C4'-P energy: -134.194 tors. eta vs tors. theta energy: -267.703 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: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -3223.893949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.893949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.893949 (E_RNA) where: Base-Base interactions energy: -2269.240 where: short stacking energy: -933.097 Base-Backbone interact. energy: -5.302 local terms energy: -949.351622 where: bonds (distance) C4'-P energy: -179.200 bonds (distance) P-C4' energy: -174.000 flat angles C4'-P-C4' energy: -198.848 flat angles P-C4'-P energy: -135.341 tors. eta vs tors. theta energy: -261.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -3062.775488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.775488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.775488 (E_RNA) where: Base-Base interactions energy: -2188.669 where: short stacking energy: -889.586 Base-Backbone interact. energy: -3.869 local terms energy: -870.238059 where: bonds (distance) C4'-P energy: -170.958 bonds (distance) P-C4' energy: -170.896 flat angles C4'-P-C4' energy: -203.732 flat angles P-C4'-P energy: -104.672 tors. eta vs tors. theta energy: -219.981 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: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2924.245712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.245712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.245712 (E_RNA) where: Base-Base interactions energy: -2083.095 where: short stacking energy: -887.219 Base-Backbone interact. energy: -3.991 local terms energy: -837.159947 where: bonds (distance) C4'-P energy: -171.500 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -179.995 flat angles P-C4'-P energy: -124.079 tors. eta vs tors. theta energy: -215.063 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: 6, replica: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -2703.126792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.126792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.126792 (E_RNA) where: Base-Base interactions energy: -1838.427 where: short stacking energy: -832.873 Base-Backbone interact. energy: -1.559 local terms energy: -863.140761 where: bonds (distance) C4'-P energy: -170.042 bonds (distance) P-C4' energy: -163.106 flat angles C4'-P-C4' energy: -197.342 flat angles P-C4'-P energy: -113.402 tors. eta vs tors. theta energy: -219.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -2490.404859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.404859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.404859 (E_RNA) where: Base-Base interactions energy: -1690.187 where: short stacking energy: -743.731 Base-Backbone interact. energy: 0.053 local terms energy: -800.270714 where: bonds (distance) C4'-P energy: -146.845 bonds (distance) P-C4' energy: -159.803 flat angles C4'-P-C4' energy: -191.948 flat angles P-C4'-P energy: -110.830 tors. eta vs tors. theta energy: -190.846 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: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -2136.271463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.271463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.271463 (E_RNA) where: Base-Base interactions energy: -1421.824 where: short stacking energy: -634.025 Base-Backbone interact. energy: -0.040 local terms energy: -714.407721 where: bonds (distance) C4'-P energy: -150.265 bonds (distance) P-C4' energy: -167.423 flat angles C4'-P-C4' energy: -153.208 flat angles P-C4'-P energy: -103.862 tors. eta vs tors. theta energy: -139.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1877.064708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.064708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.064708 (E_RNA) where: Base-Base interactions energy: -1256.409 where: short stacking energy: -595.071 Base-Backbone interact. energy: 0.500 local terms energy: -621.155283 where: bonds (distance) C4'-P energy: -130.725 bonds (distance) P-C4' energy: -150.082 flat angles C4'-P-C4' energy: -134.895 flat angles P-C4'-P energy: -95.023 tors. eta vs tors. theta energy: -110.431 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: 10 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1489.977820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.977820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.977820 (E_RNA) where: Base-Base interactions energy: -935.447 where: short stacking energy: -452.571 Base-Backbone interact. energy: -1.491 local terms energy: -553.040078 where: bonds (distance) C4'-P energy: -147.507 bonds (distance) P-C4' energy: -158.050 flat angles C4'-P-C4' energy: -127.335 flat angles P-C4'-P energy: -81.022 tors. eta vs tors. theta energy: -39.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3439.616930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.616930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.616930 (E_RNA) where: Base-Base interactions energy: -2412.805 where: short stacking energy: -1040.512 Base-Backbone interact. energy: -2.857 local terms energy: -1023.954938 where: bonds (distance) C4'-P energy: -184.820 bonds (distance) P-C4' energy: -197.926 flat angles C4'-P-C4' energy: -219.806 flat angles P-C4'-P energy: -145.042 tors. eta vs tors. theta energy: -276.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -3310.901061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.901061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.901061 (E_RNA) where: Base-Base interactions energy: -2360.480 where: short stacking energy: -1000.807 Base-Backbone interact. energy: -2.237 local terms energy: -948.184523 where: bonds (distance) C4'-P energy: -147.848 bonds (distance) P-C4' energy: -194.267 flat angles C4'-P-C4' energy: -209.399 flat angles P-C4'-P energy: -129.050 tors. eta vs tors. theta energy: -267.620 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: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -3218.257877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.257877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.257877 (E_RNA) where: Base-Base interactions energy: -2298.924 where: short stacking energy: -963.019 Base-Backbone interact. energy: -1.161 local terms energy: -918.172804 where: bonds (distance) C4'-P energy: -154.817 bonds (distance) P-C4' energy: -165.994 flat angles C4'-P-C4' energy: -202.640 flat angles P-C4'-P energy: -126.480 tors. eta vs tors. theta energy: -268.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -3087.087518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.087518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.087518 (E_RNA) where: Base-Base interactions energy: -2210.834 where: short stacking energy: -917.096 Base-Backbone interact. energy: -8.087 local terms energy: -868.166502 where: bonds (distance) C4'-P energy: -164.266 bonds (distance) P-C4' energy: -166.387 flat angles C4'-P-C4' energy: -193.428 flat angles P-C4'-P energy: -115.117 tors. eta vs tors. theta energy: -228.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2893.308480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.308480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.308480 (E_RNA) where: Base-Base interactions energy: -2043.210 where: short stacking energy: -852.366 Base-Backbone interact. energy: -2.292 local terms energy: -847.806998 where: bonds (distance) C4'-P energy: -167.997 bonds (distance) P-C4' energy: -156.968 flat angles C4'-P-C4' energy: -185.307 flat angles P-C4'-P energy: -136.450 tors. eta vs tors. theta energy: -201.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2678.365487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.365487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.365487 (E_RNA) where: Base-Base interactions energy: -1858.386 where: short stacking energy: -786.073 Base-Backbone interact. energy: -3.329 local terms energy: -816.650026 where: bonds (distance) C4'-P energy: -172.979 bonds (distance) P-C4' energy: -158.681 flat angles C4'-P-C4' energy: -172.915 flat angles P-C4'-P energy: -108.872 tors. eta vs tors. theta energy: -203.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2471.361953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.361953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.361953 (E_RNA) where: Base-Base interactions energy: -1735.995 where: short stacking energy: -762.725 Base-Backbone interact. energy: -3.368 local terms energy: -731.999265 where: bonds (distance) C4'-P energy: -142.324 bonds (distance) P-C4' energy: -138.908 flat angles C4'-P-C4' energy: -167.573 flat angles P-C4'-P energy: -101.819 tors. eta vs tors. theta energy: -181.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -2213.095363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.095363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.095363 (E_RNA) where: Base-Base interactions energy: -1514.545 where: short stacking energy: -638.202 Base-Backbone interact. energy: -2.941 local terms energy: -695.609456 where: bonds (distance) C4'-P energy: -143.792 bonds (distance) P-C4' energy: -141.584 flat angles C4'-P-C4' energy: -150.303 flat angles P-C4'-P energy: -111.844 tors. eta vs tors. theta energy: -148.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1787.114918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.114918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.114918 (E_RNA) where: Base-Base interactions energy: -1148.225 where: short stacking energy: -530.774 Base-Backbone interact. energy: 8.401 local terms energy: -647.291353 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -164.302 flat angles C4'-P-C4' energy: -157.433 flat angles P-C4'-P energy: -85.162 tors. eta vs tors. theta energy: -100.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1467.442483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.442483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.442483 (E_RNA) where: Base-Base interactions energy: -916.474 where: short stacking energy: -428.680 Base-Backbone interact. energy: 3.830 local terms energy: -554.798427 where: bonds (distance) C4'-P energy: -101.090 bonds (distance) P-C4' energy: -170.273 flat angles C4'-P-C4' energy: -142.299 flat angles P-C4'-P energy: -84.334 tors. eta vs tors. theta energy: -56.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3396.533830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3396.533830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3396.533830 (E_RNA) where: Base-Base interactions energy: -2418.446 where: short stacking energy: -1040.071 Base-Backbone interact. energy: -4.609 local terms energy: -973.479547 where: bonds (distance) C4'-P energy: -182.111 bonds (distance) P-C4' energy: -177.892 flat angles C4'-P-C4' energy: -212.174 flat angles P-C4'-P energy: -129.998 tors. eta vs tors. theta energy: -271.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -3296.045259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.045259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.045259 (E_RNA) where: Base-Base interactions energy: -2330.351 where: short stacking energy: -967.590 Base-Backbone interact. energy: 1.087 local terms energy: -966.781515 where: bonds (distance) C4'-P energy: -165.552 bonds (distance) P-C4' energy: -182.642 flat angles C4'-P-C4' energy: -214.282 flat angles P-C4'-P energy: -144.888 tors. eta vs tors. theta energy: -259.418 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: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -3196.682691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.682691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.682691 (E_RNA) where: Base-Base interactions energy: -2244.876 where: short stacking energy: -938.643 Base-Backbone interact. energy: -7.845 local terms energy: -943.961766 where: bonds (distance) C4'-P energy: -170.033 bonds (distance) P-C4' energy: -178.175 flat angles C4'-P-C4' energy: -199.704 flat angles P-C4'-P energy: -134.466 tors. eta vs tors. theta energy: -261.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -3095.936992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.936992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.936992 (E_RNA) where: Base-Base interactions energy: -2182.753 where: short stacking energy: -908.866 Base-Backbone interact. energy: -5.754 local terms energy: -907.429557 where: bonds (distance) C4'-P energy: -162.654 bonds (distance) P-C4' energy: -177.450 flat angles C4'-P-C4' energy: -188.883 flat angles P-C4'-P energy: -130.534 tors. eta vs tors. theta energy: -247.909 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: 292 Temperature: 1.100000 Total energy: -2889.530380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.530380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.530380 (E_RNA) where: Base-Base interactions energy: -2063.322 where: short stacking energy: -872.313 Base-Backbone interact. energy: -3.391 local terms energy: -822.817783 where: bonds (distance) C4'-P energy: -128.641 bonds (distance) P-C4' energy: -174.442 flat angles C4'-P-C4' energy: -184.092 flat angles P-C4'-P energy: -126.448 tors. eta vs tors. theta energy: -209.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -2640.393175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.393175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.393175 (E_RNA) where: Base-Base interactions energy: -1813.547 where: short stacking energy: -771.116 Base-Backbone interact. energy: 2.502 local terms energy: -829.348225 where: bonds (distance) C4'-P energy: -167.287 bonds (distance) P-C4' energy: -160.000 flat angles C4'-P-C4' energy: -185.378 flat angles P-C4'-P energy: -104.358 tors. eta vs tors. theta energy: -212.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2501.875688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.875688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.875688 (E_RNA) where: Base-Base interactions energy: -1736.986 where: short stacking energy: -756.876 Base-Backbone interact. energy: -2.826 local terms energy: -762.063528 where: bonds (distance) C4'-P energy: -143.272 bonds (distance) P-C4' energy: -150.529 flat angles C4'-P-C4' energy: -169.503 flat angles P-C4'-P energy: -123.186 tors. eta vs tors. theta energy: -175.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2088.068049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2088.068049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2088.068049 (E_RNA) where: Base-Base interactions energy: -1420.323 where: short stacking energy: -585.013 Base-Backbone interact. energy: -5.545 local terms energy: -662.200479 where: bonds (distance) C4'-P energy: -128.525 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -156.084 flat angles P-C4'-P energy: -105.233 tors. eta vs tors. theta energy: -120.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1836.365127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.365127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.365127 (E_RNA) where: Base-Base interactions energy: -1224.158 where: short stacking energy: -566.631 Base-Backbone interact. energy: -2.943 local terms energy: -609.264200 where: bonds (distance) C4'-P energy: -113.034 bonds (distance) P-C4' energy: -155.603 flat angles C4'-P-C4' energy: -149.255 flat angles P-C4'-P energy: -87.595 tors. eta vs tors. theta energy: -103.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1367.111797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.111797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.111797 (E_RNA) where: Base-Base interactions energy: -848.662 where: short stacking energy: -371.074 Base-Backbone interact. energy: -1.055 local terms energy: -517.394676 where: bonds (distance) C4'-P energy: -133.025 bonds (distance) P-C4' energy: -128.850 flat angles C4'-P-C4' energy: -141.854 flat angles P-C4'-P energy: -84.338 tors. eta vs tors. theta energy: -29.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3435.940912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.940912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.940912 (E_RNA) where: Base-Base interactions energy: -2402.969 where: short stacking energy: -1022.737 Base-Backbone interact. energy: -7.267 local terms energy: -1025.704820 where: bonds (distance) C4'-P energy: -187.235 bonds (distance) P-C4' energy: -199.993 flat angles C4'-P-C4' energy: -215.874 flat angles P-C4'-P energy: -149.168 tors. eta vs tors. theta energy: -273.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -3301.398151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.398151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.398151 (E_RNA) where: Base-Base interactions energy: -2355.812 where: short stacking energy: -999.271 Base-Backbone interact. energy: -3.566 local terms energy: -942.020732 where: bonds (distance) C4'-P energy: -169.062 bonds (distance) P-C4' energy: -177.892 flat angles C4'-P-C4' energy: -205.829 flat angles P-C4'-P energy: -126.629 tors. eta vs tors. theta energy: -262.609 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -3219.408299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.408299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.408299 (E_RNA) where: Base-Base interactions energy: -2283.452 where: short stacking energy: -942.386 Base-Backbone interact. energy: -6.402 local terms energy: -929.554339 where: bonds (distance) C4'-P energy: -170.685 bonds (distance) P-C4' energy: -177.823 flat angles C4'-P-C4' energy: -198.067 flat angles P-C4'-P energy: -127.702 tors. eta vs tors. theta energy: -255.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -3095.444240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.444240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.444240 (E_RNA) where: Base-Base interactions energy: -2186.367 where: short stacking energy: -928.600 Base-Backbone interact. energy: -0.163 local terms energy: -908.914472 where: bonds (distance) C4'-P energy: -169.865 bonds (distance) P-C4' energy: -176.820 flat angles C4'-P-C4' energy: -198.405 flat angles P-C4'-P energy: -116.557 tors. eta vs tors. theta energy: -247.268 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: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2889.327229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.327229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.327229 (E_RNA) where: Base-Base interactions energy: -2052.225 where: short stacking energy: -829.298 Base-Backbone interact. energy: 0.013 local terms energy: -837.115556 where: bonds (distance) C4'-P energy: -160.921 bonds (distance) P-C4' energy: -166.517 flat angles C4'-P-C4' energy: -196.335 flat angles P-C4'-P energy: -111.368 tors. eta vs tors. theta energy: -201.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -2695.143923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.143923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.143923 (E_RNA) where: Base-Base interactions energy: -1831.934 where: short stacking energy: -805.242 Base-Backbone interact. energy: -2.853 local terms energy: -860.356901 where: bonds (distance) C4'-P energy: -158.872 bonds (distance) P-C4' energy: -166.477 flat angles C4'-P-C4' energy: -193.274 flat angles P-C4'-P energy: -125.068 tors. eta vs tors. theta energy: -216.666 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: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2543.206288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.206288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.206288 (E_RNA) where: Base-Base interactions energy: -1767.877 where: short stacking energy: -770.384 Base-Backbone interact. energy: 2.128 local terms energy: -777.457174 where: bonds (distance) C4'-P energy: -153.572 bonds (distance) P-C4' energy: -138.616 flat angles C4'-P-C4' energy: -175.767 flat angles P-C4'-P energy: -116.107 tors. eta vs tors. theta energy: -193.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -2083.946186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.946186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.946186 (E_RNA) where: Base-Base interactions energy: -1375.749 where: short stacking energy: -615.050 Base-Backbone interact. energy: -2.186 local terms energy: -706.010851 where: bonds (distance) C4'-P energy: -145.113 bonds (distance) P-C4' energy: -162.645 flat angles C4'-P-C4' energy: -162.944 flat angles P-C4'-P energy: -105.091 tors. eta vs tors. theta energy: -130.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1862.126088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.126088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.126088 (E_RNA) where: Base-Base interactions energy: -1228.975 where: short stacking energy: -582.693 Base-Backbone interact. energy: 0.822 local terms energy: -633.973259 where: bonds (distance) C4'-P energy: -145.312 bonds (distance) P-C4' energy: -161.763 flat angles C4'-P-C4' energy: -146.786 flat angles P-C4'-P energy: -81.792 tors. eta vs tors. theta energy: -98.320 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: 293 Temperature: 1.350000 Total energy: -1537.229725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.229725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.229725 (E_RNA) where: Base-Base interactions energy: -946.297 where: short stacking energy: -424.145 Base-Backbone interact. energy: 4.620 local terms energy: -595.551876 where: bonds (distance) C4'-P energy: -152.193 bonds (distance) P-C4' energy: -158.148 flat angles C4'-P-C4' energy: -139.707 flat angles P-C4'-P energy: -87.205 tors. eta vs tors. theta energy: -58.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3414.415484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.415484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.415484 (E_RNA) where: Base-Base interactions energy: -2426.993 where: short stacking energy: -1052.852 Base-Backbone interact. energy: -2.496 local terms energy: -984.926665 where: bonds (distance) C4'-P energy: -169.172 bonds (distance) P-C4' energy: -177.125 flat angles C4'-P-C4' energy: -211.788 flat angles P-C4'-P energy: -141.635 tors. eta vs tors. theta energy: -285.206 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3273.217320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.217320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.217320 (E_RNA) where: Base-Base interactions energy: -2330.404 where: short stacking energy: -957.529 Base-Backbone interact. energy: 13.050 local terms energy: -955.863553 where: bonds (distance) C4'-P energy: -188.721 bonds (distance) P-C4' energy: -181.987 flat angles C4'-P-C4' energy: -196.990 flat angles P-C4'-P energy: -133.125 tors. eta vs tors. theta energy: -255.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -3192.765516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.765516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.765516 (E_RNA) where: Base-Base interactions energy: -2275.407 where: short stacking energy: -956.120 Base-Backbone interact. energy: -4.023 local terms energy: -913.335815 where: bonds (distance) C4'-P energy: -165.813 bonds (distance) P-C4' energy: -163.598 flat angles C4'-P-C4' energy: -195.230 flat angles P-C4'-P energy: -128.829 tors. eta vs tors. theta energy: -259.865 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: 4 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -3051.415951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.415951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.415951 (E_RNA) where: Base-Base interactions energy: -2169.619 where: short stacking energy: -916.716 Base-Backbone interact. energy: -2.382 local terms energy: -879.414932 where: bonds (distance) C4'-P energy: -157.118 bonds (distance) P-C4' energy: -178.160 flat angles C4'-P-C4' energy: -187.962 flat angles P-C4'-P energy: -103.482 tors. eta vs tors. theta energy: -252.693 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: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2910.487435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.487435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.487435 (E_RNA) where: Base-Base interactions energy: -2083.367 where: short stacking energy: -878.452 Base-Backbone interact. energy: -2.075 local terms energy: -825.045283 where: bonds (distance) C4'-P energy: -144.544 bonds (distance) P-C4' energy: -164.539 flat angles C4'-P-C4' energy: -186.225 flat angles P-C4'-P energy: -113.802 tors. eta vs tors. theta energy: -215.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2671.657177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.657177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.657177 (E_RNA) where: Base-Base interactions energy: -1867.109 where: short stacking energy: -815.599 Base-Backbone interact. energy: 0.447 local terms energy: -804.995260 where: bonds (distance) C4'-P energy: -146.744 bonds (distance) P-C4' energy: -150.486 flat angles C4'-P-C4' energy: -179.325 flat angles P-C4'-P energy: -109.107 tors. eta vs tors. theta energy: -219.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2531.741954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.741954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.741954 (E_RNA) where: Base-Base interactions energy: -1742.463 where: short stacking energy: -720.780 Base-Backbone interact. energy: 5.234 local terms energy: -794.512056 where: bonds (distance) C4'-P energy: -166.141 bonds (distance) P-C4' energy: -160.995 flat angles C4'-P-C4' energy: -187.274 flat angles P-C4'-P energy: -115.355 tors. eta vs tors. theta energy: -164.747 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: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2148.632933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.632933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.632933 (E_RNA) where: Base-Base interactions energy: -1453.311 where: short stacking energy: -654.716 Base-Backbone interact. energy: -0.580 local terms energy: -694.742446 where: bonds (distance) C4'-P energy: -159.703 bonds (distance) P-C4' energy: -146.314 flat angles C4'-P-C4' energy: -158.787 flat angles P-C4'-P energy: -95.205 tors. eta vs tors. theta energy: -134.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1905.763007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.763007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.763007 (E_RNA) where: Base-Base interactions energy: -1251.623 where: short stacking energy: -577.657 Base-Backbone interact. energy: 2.092 local terms energy: -656.231403 where: bonds (distance) C4'-P energy: -141.567 bonds (distance) P-C4' energy: -148.239 flat angles C4'-P-C4' energy: -170.417 flat angles P-C4'-P energy: -85.014 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1468.608336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.608336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.608336 (E_RNA) where: Base-Base interactions energy: -930.841 where: short stacking energy: -425.752 Base-Backbone interact. energy: -4.141 local terms energy: -533.626850 where: bonds (distance) C4'-P energy: -115.075 bonds (distance) P-C4' energy: -140.491 flat angles C4'-P-C4' energy: -145.389 flat angles P-C4'-P energy: -87.530 tors. eta vs tors. theta energy: -45.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3397.173375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3397.173375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3397.173375 (E_RNA) where: Base-Base interactions energy: -2405.830 where: short stacking energy: -1040.580 Base-Backbone interact. energy: -1.603 local terms energy: -989.740237 where: bonds (distance) C4'-P energy: -180.997 bonds (distance) P-C4' energy: -202.840 flat angles C4'-P-C4' energy: -188.088 flat angles P-C4'-P energy: -136.868 tors. eta vs tors. theta energy: -280.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -3265.989640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.989640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.989640 (E_RNA) where: Base-Base interactions energy: -2332.514 where: short stacking energy: -953.397 Base-Backbone interact. energy: 0.792 local terms energy: -934.268350 where: bonds (distance) C4'-P energy: -181.900 bonds (distance) P-C4' energy: -182.967 flat angles C4'-P-C4' energy: -194.122 flat angles P-C4'-P energy: -129.137 tors. eta vs tors. theta energy: -246.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -3218.553431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.553431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.553431 (E_RNA) where: Base-Base interactions energy: -2279.187 where: short stacking energy: -939.319 Base-Backbone interact. energy: -5.170 local terms energy: -934.196131 where: bonds (distance) C4'-P energy: -181.739 bonds (distance) P-C4' energy: -171.005 flat angles C4'-P-C4' energy: -191.595 flat angles P-C4'-P energy: -133.800 tors. eta vs tors. theta energy: -256.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -3092.477239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.477239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.477239 (E_RNA) where: Base-Base interactions energy: -2202.614 where: short stacking energy: -893.796 Base-Backbone interact. energy: 5.608 local terms energy: -895.471282 where: bonds (distance) C4'-P energy: -157.096 bonds (distance) P-C4' energy: -174.166 flat angles C4'-P-C4' energy: -189.153 flat angles P-C4'-P energy: -139.684 tors. eta vs tors. theta energy: -235.373 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: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2900.258759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.258759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.258759 (E_RNA) where: Base-Base interactions energy: -2062.447 where: short stacking energy: -872.686 Base-Backbone interact. energy: -3.159 local terms energy: -834.653066 where: bonds (distance) C4'-P energy: -145.326 bonds (distance) P-C4' energy: -165.957 flat angles C4'-P-C4' energy: -194.066 flat angles P-C4'-P energy: -116.035 tors. eta vs tors. theta energy: -213.269 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: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2727.004485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.004485 (E_RNA) where: Base-Base interactions energy: -1913.527 where: short stacking energy: -835.208 Base-Backbone interact. energy: -0.174 local terms energy: -813.303958 where: bonds (distance) C4'-P energy: -133.696 bonds (distance) P-C4' energy: -161.809 flat angles C4'-P-C4' energy: -180.158 flat angles P-C4'-P energy: -98.811 tors. eta vs tors. theta energy: -238.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2515.837148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.837148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.837148 (E_RNA) where: Base-Base interactions energy: -1749.065 where: short stacking energy: -725.942 Base-Backbone interact. energy: -3.468 local terms energy: -763.304753 where: bonds (distance) C4'-P energy: -135.896 bonds (distance) P-C4' energy: -153.574 flat angles C4'-P-C4' energy: -178.112 flat angles P-C4'-P energy: -111.957 tors. eta vs tors. theta energy: -183.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -2178.549452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.549452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.549452 (E_RNA) where: Base-Base interactions energy: -1464.646 where: short stacking energy: -642.882 Base-Backbone interact. energy: -1.275 local terms energy: -712.628131 where: bonds (distance) C4'-P energy: -152.264 bonds (distance) P-C4' energy: -152.467 flat angles C4'-P-C4' energy: -167.707 flat angles P-C4'-P energy: -96.477 tors. eta vs tors. theta energy: -143.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1987.830152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1987.830152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1987.830152 (E_RNA) where: Base-Base interactions energy: -1350.649 where: short stacking energy: -604.218 Base-Backbone interact. energy: 2.284 local terms energy: -639.465531 where: bonds (distance) C4'-P energy: -134.905 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -163.102 flat angles P-C4'-P energy: -107.857 tors. eta vs tors. theta energy: -97.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1505.798904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.798904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.798904 (E_RNA) where: Base-Base interactions energy: -970.251 where: short stacking energy: -442.166 Base-Backbone interact. energy: 0.922 local terms energy: -536.469072 where: bonds (distance) C4'-P energy: -118.530 bonds (distance) P-C4' energy: -138.810 flat angles C4'-P-C4' energy: -155.682 flat angles P-C4'-P energy: -75.700 tors. eta vs tors. theta energy: -47.746 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: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3397.972867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3397.972867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3397.972867 (E_RNA) where: Base-Base interactions energy: -2390.765 where: short stacking energy: -1039.684 Base-Backbone interact. energy: -7.460 local terms energy: -999.747132 where: bonds (distance) C4'-P energy: -181.009 bonds (distance) P-C4' energy: -186.581 flat angles C4'-P-C4' energy: -215.654 flat angles P-C4'-P energy: -142.029 tors. eta vs tors. theta energy: -274.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3285.671944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.671944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.671944 (E_RNA) where: Base-Base interactions energy: -2355.614 where: short stacking energy: -950.619 Base-Backbone interact. energy: 1.798 local terms energy: -931.855710 where: bonds (distance) C4'-P energy: -170.813 bonds (distance) P-C4' energy: -176.061 flat angles C4'-P-C4' energy: -214.062 flat angles P-C4'-P energy: -119.564 tors. eta vs tors. theta energy: -251.355 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: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -3196.126893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.126893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.126893 (E_RNA) where: Base-Base interactions energy: -2271.875 where: short stacking energy: -936.871 Base-Backbone interact. energy: 5.112 local terms energy: -929.364192 where: bonds (distance) C4'-P energy: -163.268 bonds (distance) P-C4' energy: -171.852 flat angles C4'-P-C4' energy: -207.932 flat angles P-C4'-P energy: -137.654 tors. eta vs tors. theta energy: -248.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -3050.548651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.548651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.548651 (E_RNA) where: Base-Base interactions energy: -2186.942 where: short stacking energy: -904.579 Base-Backbone interact. energy: -2.816 local terms energy: -860.790195 where: bonds (distance) C4'-P energy: -166.963 bonds (distance) P-C4' energy: -160.466 flat angles C4'-P-C4' energy: -194.589 flat angles P-C4'-P energy: -117.076 tors. eta vs tors. theta energy: -221.697 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: 296 Temperature: 1.100000 Total energy: -2907.773814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.773814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.773814 (E_RNA) where: Base-Base interactions energy: -2085.939 where: short stacking energy: -870.446 Base-Backbone interact. energy: -1.690 local terms energy: -820.144542 where: bonds (distance) C4'-P energy: -140.878 bonds (distance) P-C4' energy: -149.027 flat angles C4'-P-C4' energy: -187.270 flat angles P-C4'-P energy: -121.681 tors. eta vs tors. theta energy: -221.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -2739.305475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.305475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.305475 (E_RNA) where: Base-Base interactions energy: -1885.223 where: short stacking energy: -822.683 Base-Backbone interact. energy: -1.207 local terms energy: -852.875181 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -166.757 flat angles C4'-P-C4' energy: -193.183 flat angles P-C4'-P energy: -118.537 tors. eta vs tors. theta energy: -217.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2525.272566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.272566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.272566 (E_RNA) where: Base-Base interactions energy: -1756.440 where: short stacking energy: -719.026 Base-Backbone interact. energy: -0.336 local terms energy: -768.497069 where: bonds (distance) C4'-P energy: -149.044 bonds (distance) P-C4' energy: -168.330 flat angles C4'-P-C4' energy: -176.539 flat angles P-C4'-P energy: -102.155 tors. eta vs tors. theta energy: -172.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -2193.056706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2193.056706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2193.056706 (E_RNA) where: Base-Base interactions energy: -1498.164 where: short stacking energy: -658.981 Base-Backbone interact. energy: 0.437 local terms energy: -695.329463 where: bonds (distance) C4'-P energy: -141.505 bonds (distance) P-C4' energy: -149.926 flat angles C4'-P-C4' energy: -149.217 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -149.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1938.201549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.201549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.201549 (E_RNA) where: Base-Base interactions energy: -1301.725 where: short stacking energy: -582.974 Base-Backbone interact. energy: 3.209 local terms energy: -639.686248 where: bonds (distance) C4'-P energy: -133.819 bonds (distance) P-C4' energy: -167.845 flat angles C4'-P-C4' energy: -136.101 flat angles P-C4'-P energy: -87.854 tors. eta vs tors. theta energy: -114.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1460.838562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.838562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.838562 (E_RNA) where: Base-Base interactions energy: -916.746 where: short stacking energy: -444.094 Base-Backbone interact. energy: 2.149 local terms energy: -546.241231 where: bonds (distance) C4'-P energy: -112.905 bonds (distance) P-C4' energy: -164.887 flat angles C4'-P-C4' energy: -142.186 flat angles P-C4'-P energy: -57.564 tors. eta vs tors. theta energy: -68.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3426.262576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3426.262576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3426.262576 (E_RNA) where: Base-Base interactions energy: -2405.395 where: short stacking energy: -1047.050 Base-Backbone interact. energy: -6.232 local terms energy: -1014.635360 where: bonds (distance) C4'-P energy: -166.170 bonds (distance) P-C4' energy: -192.305 flat angles C4'-P-C4' energy: -217.042 flat angles P-C4'-P energy: -146.540 tors. eta vs tors. theta energy: -292.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3289.307168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.307168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.307168 (E_RNA) where: Base-Base interactions energy: -2338.131 where: short stacking energy: -961.782 Base-Backbone interact. energy: 3.485 local terms energy: -954.660713 where: bonds (distance) C4'-P energy: -169.257 bonds (distance) P-C4' energy: -176.493 flat angles C4'-P-C4' energy: -204.440 flat angles P-C4'-P energy: -137.330 tors. eta vs tors. theta energy: -267.141 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: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -3194.261158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.261158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.261158 (E_RNA) where: Base-Base interactions energy: -2282.006 where: short stacking energy: -919.871 Base-Backbone interact. energy: -5.810 local terms energy: -906.444751 where: bonds (distance) C4'-P energy: -172.141 bonds (distance) P-C4' energy: -182.094 flat angles C4'-P-C4' energy: -188.843 flat angles P-C4'-P energy: -123.450 tors. eta vs tors. theta energy: -239.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -3023.555168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.555168 (E_RNA) where: Base-Base interactions energy: -2158.731 where: short stacking energy: -872.292 Base-Backbone interact. energy: -3.365 local terms energy: -861.459223 where: bonds (distance) C4'-P energy: -149.601 bonds (distance) P-C4' energy: -169.471 flat angles C4'-P-C4' energy: -195.067 flat angles P-C4'-P energy: -129.409 tors. eta vs tors. theta energy: -217.912 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: 297 Temperature: 1.100000 Total energy: -2909.660051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.660051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.660051 (E_RNA) where: Base-Base interactions energy: -2058.029 where: short stacking energy: -859.362 Base-Backbone interact. energy: -2.735 local terms energy: -848.895803 where: bonds (distance) C4'-P energy: -147.159 bonds (distance) P-C4' energy: -171.895 flat angles C4'-P-C4' energy: -188.683 flat angles P-C4'-P energy: -120.570 tors. eta vs tors. theta energy: -220.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2728.627727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.627727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.627727 (E_RNA) where: Base-Base interactions energy: -1899.216 where: short stacking energy: -833.265 Base-Backbone interact. energy: -3.550 local terms energy: -825.860893 where: bonds (distance) C4'-P energy: -154.448 bonds (distance) P-C4' energy: -149.804 flat angles C4'-P-C4' energy: -186.647 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -222.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2583.322465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.322465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.322465 (E_RNA) where: Base-Base interactions energy: -1791.696 where: short stacking energy: -788.505 Base-Backbone interact. energy: -1.483 local terms energy: -790.143860 where: bonds (distance) C4'-P energy: -137.661 bonds (distance) P-C4' energy: -168.785 flat angles C4'-P-C4' energy: -183.289 flat angles P-C4'-P energy: -101.233 tors. eta vs tors. theta energy: -199.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -2202.033162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2202.033162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2202.033162 (E_RNA) where: Base-Base interactions energy: -1464.076 where: short stacking energy: -648.661 Base-Backbone interact. energy: -0.837 local terms energy: -737.120275 where: bonds (distance) C4'-P energy: -147.708 bonds (distance) P-C4' energy: -136.472 flat angles C4'-P-C4' energy: -167.702 flat angles P-C4'-P energy: -131.916 tors. eta vs tors. theta energy: -153.322 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: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1993.453986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.453986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.453986 (E_RNA) where: Base-Base interactions energy: -1350.803 where: short stacking energy: -593.062 Base-Backbone interact. energy: 0.684 local terms energy: -643.335229 where: bonds (distance) C4'-P energy: -117.354 bonds (distance) P-C4' energy: -138.873 flat angles C4'-P-C4' energy: -161.509 flat angles P-C4'-P energy: -102.490 tors. eta vs tors. theta energy: -123.109 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: 10 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1437.711067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.711067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.711067 (E_RNA) where: Base-Base interactions energy: -928.578 where: short stacking energy: -411.608 Base-Backbone interact. energy: -0.258 local terms energy: -508.874699 where: bonds (distance) C4'-P energy: -149.016 bonds (distance) P-C4' energy: -137.301 flat angles C4'-P-C4' energy: -111.672 flat angles P-C4'-P energy: -67.012 tors. eta vs tors. theta energy: -43.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3419.063255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3419.063255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3419.063255 (E_RNA) where: Base-Base interactions energy: -2395.413 where: short stacking energy: -1042.630 Base-Backbone interact. energy: -6.601 local terms energy: -1017.049229 where: bonds (distance) C4'-P energy: -169.686 bonds (distance) P-C4' energy: -189.815 flat angles C4'-P-C4' energy: -214.558 flat angles P-C4'-P energy: -155.158 tors. eta vs tors. theta energy: -287.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3262.956686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.956686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.956686 (E_RNA) where: Base-Base interactions energy: -2328.461 where: short stacking energy: -962.739 Base-Backbone interact. energy: 4.163 local terms energy: -938.658761 where: bonds (distance) C4'-P energy: -173.174 bonds (distance) P-C4' energy: -177.170 flat angles C4'-P-C4' energy: -194.787 flat angles P-C4'-P energy: -140.509 tors. eta vs tors. theta energy: -253.020 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: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -3179.628809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.628809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.628809 (E_RNA) where: Base-Base interactions energy: -2237.247 where: short stacking energy: -919.274 Base-Backbone interact. energy: 3.078 local terms energy: -945.459515 where: bonds (distance) C4'-P energy: -190.562 bonds (distance) P-C4' energy: -181.004 flat angles C4'-P-C4' energy: -205.326 flat angles P-C4'-P energy: -116.627 tors. eta vs tors. theta energy: -251.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -3030.202048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.202048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.202048 (E_RNA) where: Base-Base interactions energy: -2119.667 where: short stacking energy: -860.709 Base-Backbone interact. energy: -5.841 local terms energy: -904.694334 where: bonds (distance) C4'-P energy: -181.724 bonds (distance) P-C4' energy: -189.232 flat angles C4'-P-C4' energy: -193.106 flat angles P-C4'-P energy: -118.950 tors. eta vs tors. theta energy: -221.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2864.152950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.152950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.152950 (E_RNA) where: Base-Base interactions energy: -2024.887 where: short stacking energy: -838.692 Base-Backbone interact. energy: -2.960 local terms energy: -836.305205 where: bonds (distance) C4'-P energy: -162.841 bonds (distance) P-C4' energy: -157.744 flat angles C4'-P-C4' energy: -177.946 flat angles P-C4'-P energy: -122.352 tors. eta vs tors. theta energy: -215.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2699.827561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.827561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.827561 (E_RNA) where: Base-Base interactions energy: -1858.010 where: short stacking energy: -812.039 Base-Backbone interact. energy: -3.504 local terms energy: -838.313540 where: bonds (distance) C4'-P energy: -177.362 bonds (distance) P-C4' energy: -165.469 flat angles C4'-P-C4' energy: -179.707 flat angles P-C4'-P energy: -123.606 tors. eta vs tors. theta energy: -192.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2611.124660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.124660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.124660 (E_RNA) where: Base-Base interactions energy: -1806.222 where: short stacking energy: -775.417 Base-Backbone interact. energy: 1.605 local terms energy: -806.507648 where: bonds (distance) C4'-P energy: -128.954 bonds (distance) P-C4' energy: -162.924 flat angles C4'-P-C4' energy: -185.498 flat angles P-C4'-P energy: -130.391 tors. eta vs tors. theta energy: -198.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -2154.765003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.765003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.765003 (E_RNA) where: Base-Base interactions energy: -1458.533 where: short stacking energy: -634.225 Base-Backbone interact. energy: -3.255 local terms energy: -692.977005 where: bonds (distance) C4'-P energy: -152.483 bonds (distance) P-C4' energy: -140.270 flat angles C4'-P-C4' energy: -155.154 flat angles P-C4'-P energy: -111.563 tors. eta vs tors. theta energy: -133.506 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: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1973.017176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.017176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.017176 (E_RNA) where: Base-Base interactions energy: -1305.004 where: short stacking energy: -599.165 Base-Backbone interact. energy: -2.129 local terms energy: -665.883703 where: bonds (distance) C4'-P energy: -152.011 bonds (distance) P-C4' energy: -146.284 flat angles C4'-P-C4' energy: -152.482 flat angles P-C4'-P energy: -88.131 tors. eta vs tors. theta energy: -126.975 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: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1556.021308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.021308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.021308 (E_RNA) where: Base-Base interactions energy: -1001.629 where: short stacking energy: -498.532 Base-Backbone interact. energy: -3.381 local terms energy: -551.010647 where: bonds (distance) C4'-P energy: -137.968 bonds (distance) P-C4' energy: -124.867 flat angles C4'-P-C4' energy: -143.915 flat angles P-C4'-P energy: -73.279 tors. eta vs tors. theta energy: -70.982 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: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3429.242984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3429.242984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3429.242984 (E_RNA) where: Base-Base interactions energy: -2413.482 where: short stacking energy: -1058.299 Base-Backbone interact. energy: -6.817 local terms energy: -1008.943934 where: bonds (distance) C4'-P energy: -200.797 bonds (distance) P-C4' energy: -177.454 flat angles C4'-P-C4' energy: -210.410 flat angles P-C4'-P energy: -141.834 tors. eta vs tors. theta energy: -278.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3263.905502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.905502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.905502 (E_RNA) where: Base-Base interactions energy: -2315.577 where: short stacking energy: -926.185 Base-Backbone interact. energy: -3.945 local terms energy: -944.384216 where: bonds (distance) C4'-P energy: -180.595 bonds (distance) P-C4' energy: -187.275 flat angles C4'-P-C4' energy: -197.482 flat angles P-C4'-P energy: -137.025 tors. eta vs tors. theta energy: -242.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -3193.402169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.402169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.402169 (E_RNA) where: Base-Base interactions energy: -2278.787 where: short stacking energy: -942.145 Base-Backbone interact. energy: 0.827 local terms energy: -915.442004 where: bonds (distance) C4'-P energy: -165.053 bonds (distance) P-C4' energy: -164.689 flat angles C4'-P-C4' energy: -200.236 flat angles P-C4'-P energy: -139.358 tors. eta vs tors. theta energy: -246.106 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: 4, replica: 4 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2984.849462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.849462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.849462 (E_RNA) where: Base-Base interactions energy: -2099.417 where: short stacking energy: -881.705 Base-Backbone interact. energy: -3.346 local terms energy: -882.086266 where: bonds (distance) C4'-P energy: -167.057 bonds (distance) P-C4' energy: -170.855 flat angles C4'-P-C4' energy: -195.965 flat angles P-C4'-P energy: -117.629 tors. eta vs tors. theta energy: -230.580 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: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2874.294941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.294941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.294941 (E_RNA) where: Base-Base interactions energy: -2021.819 where: short stacking energy: -881.899 Base-Backbone interact. energy: -1.686 local terms energy: -850.789487 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -162.125 flat angles C4'-P-C4' energy: -192.475 flat angles P-C4'-P energy: -115.790 tors. eta vs tors. theta energy: -229.353 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: 9 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2686.805703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.805703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.805703 (E_RNA) where: Base-Base interactions energy: -1889.674 where: short stacking energy: -862.803 Base-Backbone interact. energy: -2.360 local terms energy: -794.771451 where: bonds (distance) C4'-P energy: -127.211 bonds (distance) P-C4' energy: -158.192 flat angles C4'-P-C4' energy: -177.260 flat angles P-C4'-P energy: -118.731 tors. eta vs tors. theta energy: -213.377 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2591.535654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.535654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.535654 (E_RNA) where: Base-Base interactions energy: -1815.522 where: short stacking energy: -745.815 Base-Backbone interact. energy: 2.829 local terms energy: -778.842258 where: bonds (distance) C4'-P energy: -139.278 bonds (distance) P-C4' energy: -158.010 flat angles C4'-P-C4' energy: -179.534 flat angles P-C4'-P energy: -111.758 tors. eta vs tors. theta energy: -190.263 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: 8 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2208.417874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2208.417874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2208.417874 (E_RNA) where: Base-Base interactions energy: -1498.247 where: short stacking energy: -654.084 Base-Backbone interact. energy: 1.497 local terms energy: -711.667831 where: bonds (distance) C4'-P energy: -136.723 bonds (distance) P-C4' energy: -171.391 flat angles C4'-P-C4' energy: -154.580 flat angles P-C4'-P energy: -90.358 tors. eta vs tors. theta energy: -158.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1979.670291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.670291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.670291 (E_RNA) where: Base-Base interactions energy: -1332.445 where: short stacking energy: -600.567 Base-Backbone interact. energy: -1.307 local terms energy: -645.917736 where: bonds (distance) C4'-P energy: -134.303 bonds (distance) P-C4' energy: -125.816 flat angles C4'-P-C4' energy: -165.164 flat angles P-C4'-P energy: -89.488 tors. eta vs tors. theta energy: -131.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1387.557791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.557791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.557791 (E_RNA) where: Base-Base interactions energy: -881.362 where: short stacking energy: -379.083 Base-Backbone interact. energy: 5.666 local terms energy: -511.861716 where: bonds (distance) C4'-P energy: -125.776 bonds (distance) P-C4' energy: -158.459 flat angles C4'-P-C4' energy: -120.977 flat angles P-C4'-P energy: -88.531 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3403.694495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3403.694495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3403.694495 (E_RNA) where: Base-Base interactions energy: -2393.308 where: short stacking energy: -1022.504 Base-Backbone interact. energy: -9.472 local terms energy: -1000.914566 where: bonds (distance) C4'-P energy: -180.531 bonds (distance) P-C4' energy: -191.449 flat angles C4'-P-C4' energy: -204.855 flat angles P-C4'-P energy: -141.904 tors. eta vs tors. theta energy: -282.175 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: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3285.143385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.143385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.143385 (E_RNA) where: Base-Base interactions energy: -2348.179 where: short stacking energy: -955.222 Base-Backbone interact. energy: -9.363 local terms energy: -927.601784 where: bonds (distance) C4'-P energy: -171.942 bonds (distance) P-C4' energy: -174.528 flat angles C4'-P-C4' energy: -192.312 flat angles P-C4'-P energy: -134.343 tors. eta vs tors. theta energy: -254.477 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: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -3189.329937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.329937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.329937 (E_RNA) where: Base-Base interactions energy: -2268.614 where: short stacking energy: -921.877 Base-Backbone interact. energy: 3.422 local terms energy: -924.138187 where: bonds (distance) C4'-P energy: -170.628 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -205.105 flat angles P-C4'-P energy: -123.321 tors. eta vs tors. theta energy: -251.089 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: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -3026.444778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.444778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.444778 (E_RNA) where: Base-Base interactions energy: -2133.361 where: short stacking energy: -866.602 Base-Backbone interact. energy: -1.940 local terms energy: -891.144640 where: bonds (distance) C4'-P energy: -163.197 bonds (distance) P-C4' energy: -168.543 flat angles C4'-P-C4' energy: -203.643 flat angles P-C4'-P energy: -139.975 tors. eta vs tors. theta energy: -215.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -2864.348486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.348486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.348486 (E_RNA) where: Base-Base interactions energy: -2031.126 where: short stacking energy: -835.898 Base-Backbone interact. energy: 4.246 local terms energy: -837.468974 where: bonds (distance) C4'-P energy: -162.627 bonds (distance) P-C4' energy: -160.247 flat angles C4'-P-C4' energy: -188.165 flat angles P-C4'-P energy: -120.131 tors. eta vs tors. theta energy: -206.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2778.275474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.275474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.275474 (E_RNA) where: Base-Base interactions energy: -1934.299 where: short stacking energy: -818.583 Base-Backbone interact. energy: 0.023 local terms energy: -843.999535 where: bonds (distance) C4'-P energy: -151.696 bonds (distance) P-C4' energy: -188.336 flat angles C4'-P-C4' energy: -180.351 flat angles P-C4'-P energy: -123.792 tors. eta vs tors. theta energy: -199.825 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: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2579.966698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.966698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.966698 (E_RNA) where: Base-Base interactions energy: -1773.612 where: short stacking energy: -785.092 Base-Backbone interact. energy: -0.230 local terms energy: -806.124280 where: bonds (distance) C4'-P energy: -159.527 bonds (distance) P-C4' energy: -159.569 flat angles C4'-P-C4' energy: -173.019 flat angles P-C4'-P energy: -115.464 tors. eta vs tors. theta energy: -198.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2213.283003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2213.283003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2213.283003 (E_RNA) where: Base-Base interactions energy: -1530.450 where: short stacking energy: -673.936 Base-Backbone interact. energy: -1.642 local terms energy: -681.190745 where: bonds (distance) C4'-P energy: -130.654 bonds (distance) P-C4' energy: -151.424 flat angles C4'-P-C4' energy: -168.175 flat angles P-C4'-P energy: -99.288 tors. eta vs tors. theta energy: -131.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1940.975438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.975438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.975438 (E_RNA) where: Base-Base interactions energy: -1278.703 where: short stacking energy: -558.920 Base-Backbone interact. energy: -1.487 local terms energy: -660.785789 where: bonds (distance) C4'-P energy: -148.979 bonds (distance) P-C4' energy: -169.184 flat angles C4'-P-C4' energy: -154.711 flat angles P-C4'-P energy: -88.172 tors. eta vs tors. theta energy: -99.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1444.658813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.658813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.658813 (E_RNA) where: Base-Base interactions energy: -868.483 where: short stacking energy: -425.936 Base-Backbone interact. energy: -0.096 local terms energy: -576.079989 where: bonds (distance) C4'-P energy: -126.673 bonds (distance) P-C4' energy: -157.522 flat angles C4'-P-C4' energy: -133.014 flat angles P-C4'-P energy: -95.444 tors. eta vs tors. theta energy: -63.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3426.682323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3426.682323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3426.682323 (E_RNA) where: Base-Base interactions energy: -2434.453 where: short stacking energy: -1058.979 Base-Backbone interact. energy: -3.796 local terms energy: -988.433653 where: bonds (distance) C4'-P energy: -163.203 bonds (distance) P-C4' energy: -184.166 flat angles C4'-P-C4' energy: -209.785 flat angles P-C4'-P energy: -143.767 tors. eta vs tors. theta energy: -287.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3257.164026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.164026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.164026 (E_RNA) where: Base-Base interactions energy: -2329.598 where: short stacking energy: -972.304 Base-Backbone interact. energy: -5.191 local terms energy: -922.375416 where: bonds (distance) C4'-P energy: -171.447 bonds (distance) P-C4' energy: -162.310 flat angles C4'-P-C4' energy: -200.420 flat angles P-C4'-P energy: -124.806 tors. eta vs tors. theta energy: -263.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -3162.595807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.595807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.595807 (E_RNA) where: Base-Base interactions energy: -2255.451 where: short stacking energy: -930.802 Base-Backbone interact. energy: 5.398 local terms energy: -912.543224 where: bonds (distance) C4'-P energy: -156.274 bonds (distance) P-C4' energy: -180.411 flat angles C4'-P-C4' energy: -213.349 flat angles P-C4'-P energy: -121.930 tors. eta vs tors. theta energy: -240.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -3044.785114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.785114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.785114 (E_RNA) where: Base-Base interactions energy: -2150.307 where: short stacking energy: -914.389 Base-Backbone interact. energy: 3.833 local terms energy: -898.311607 where: bonds (distance) C4'-P energy: -169.765 bonds (distance) P-C4' energy: -173.429 flat angles C4'-P-C4' energy: -189.087 flat angles P-C4'-P energy: -139.212 tors. eta vs tors. theta energy: -226.818 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: 301 Temperature: 1.100000 Total energy: -2861.249954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.249954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.249954 (E_RNA) where: Base-Base interactions energy: -2013.551 where: short stacking energy: -860.240 Base-Backbone interact. energy: 0.309 local terms energy: -848.007999 where: bonds (distance) C4'-P energy: -144.460 bonds (distance) P-C4' energy: -179.657 flat angles C4'-P-C4' energy: -188.375 flat angles P-C4'-P energy: -106.513 tors. eta vs tors. theta energy: -229.003 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: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2718.417070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.417070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.417070 (E_RNA) where: Base-Base interactions energy: -1892.638 where: short stacking energy: -817.294 Base-Backbone interact. energy: -2.325 local terms energy: -823.454606 where: bonds (distance) C4'-P energy: -156.722 bonds (distance) P-C4' energy: -154.813 flat angles C4'-P-C4' energy: -182.520 flat angles P-C4'-P energy: -121.173 tors. eta vs tors. theta energy: -208.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2577.649577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.649577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.649577 (E_RNA) where: Base-Base interactions energy: -1790.715 where: short stacking energy: -770.131 Base-Backbone interact. energy: 3.010 local terms energy: -789.944598 where: bonds (distance) C4'-P energy: -153.878 bonds (distance) P-C4' energy: -154.408 flat angles C4'-P-C4' energy: -170.274 flat angles P-C4'-P energy: -114.846 tors. eta vs tors. theta energy: -196.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -2155.582703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.582703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.582703 (E_RNA) where: Base-Base interactions energy: -1446.570 where: short stacking energy: -642.494 Base-Backbone interact. energy: 1.516 local terms energy: -710.529523 where: bonds (distance) C4'-P energy: -143.821 bonds (distance) P-C4' energy: -148.800 flat angles C4'-P-C4' energy: -168.772 flat angles P-C4'-P energy: -97.653 tors. eta vs tors. theta energy: -151.484 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: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1958.496630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.496630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.496630 (E_RNA) where: Base-Base interactions energy: -1309.746 where: short stacking energy: -570.472 Base-Backbone interact. energy: 1.805 local terms energy: -650.555029 where: bonds (distance) C4'-P energy: -149.134 bonds (distance) P-C4' energy: -155.256 flat angles C4'-P-C4' energy: -129.995 flat angles P-C4'-P energy: -91.904 tors. eta vs tors. theta energy: -124.266 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: 301 Temperature: 1.350000 Total energy: -1497.688000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.688000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.688000 (E_RNA) where: Base-Base interactions energy: -907.903 where: short stacking energy: -418.797 Base-Backbone interact. energy: 6.102 local terms energy: -595.886514 where: bonds (distance) C4'-P energy: -155.676 bonds (distance) P-C4' energy: -169.926 flat angles C4'-P-C4' energy: -127.446 flat angles P-C4'-P energy: -85.076 tors. eta vs tors. theta energy: -57.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3430.993796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3430.993796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3430.993796 (E_RNA) where: Base-Base interactions energy: -2409.590 where: short stacking energy: -1043.876 Base-Backbone interact. energy: -5.834 local terms energy: -1015.570461 where: bonds (distance) C4'-P energy: -190.886 bonds (distance) P-C4' energy: -188.329 flat angles C4'-P-C4' energy: -211.496 flat angles P-C4'-P energy: -129.138 tors. eta vs tors. theta energy: -295.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -3304.451021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.451021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.451021 (E_RNA) where: Base-Base interactions energy: -2355.068 where: short stacking energy: -970.579 Base-Backbone interact. energy: -3.014 local terms energy: -946.368460 where: bonds (distance) C4'-P energy: -179.174 bonds (distance) P-C4' energy: -177.868 flat angles C4'-P-C4' energy: -195.315 flat angles P-C4'-P energy: -132.630 tors. eta vs tors. theta energy: -261.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -3190.731622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.731622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.731622 (E_RNA) where: Base-Base interactions energy: -2266.033 where: short stacking energy: -905.565 Base-Backbone interact. energy: -4.796 local terms energy: -919.902624 where: bonds (distance) C4'-P energy: -163.433 bonds (distance) P-C4' energy: -179.823 flat angles C4'-P-C4' energy: -201.655 flat angles P-C4'-P energy: -128.684 tors. eta vs tors. theta energy: -246.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -3023.293711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.293711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.293711 (E_RNA) where: Base-Base interactions energy: -2153.059 where: short stacking energy: -899.359 Base-Backbone interact. energy: 2.122 local terms energy: -872.356592 where: bonds (distance) C4'-P energy: -156.870 bonds (distance) P-C4' energy: -182.073 flat angles C4'-P-C4' energy: -187.569 flat angles P-C4'-P energy: -131.563 tors. eta vs tors. theta energy: -214.282 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: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2926.233481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.233481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.233481 (E_RNA) where: Base-Base interactions energy: -2071.384 where: short stacking energy: -850.179 Base-Backbone interact. energy: -2.730 local terms energy: -852.119300 where: bonds (distance) C4'-P energy: -169.354 bonds (distance) P-C4' energy: -164.159 flat angles C4'-P-C4' energy: -175.929 flat angles P-C4'-P energy: -121.905 tors. eta vs tors. theta energy: -220.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2746.865388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.865388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.865388 (E_RNA) where: Base-Base interactions energy: -1927.547 where: short stacking energy: -813.476 Base-Backbone interact. energy: -3.505 local terms energy: -815.813900 where: bonds (distance) C4'-P energy: -154.457 bonds (distance) P-C4' energy: -158.793 flat angles C4'-P-C4' energy: -154.575 flat angles P-C4'-P energy: -138.998 tors. eta vs tors. theta energy: -208.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2495.183713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.183713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.183713 (E_RNA) where: Base-Base interactions energy: -1701.270 where: short stacking energy: -733.106 Base-Backbone interact. energy: -0.072 local terms energy: -793.841948 where: bonds (distance) C4'-P energy: -158.071 bonds (distance) P-C4' energy: -171.238 flat angles C4'-P-C4' energy: -163.457 flat angles P-C4'-P energy: -110.812 tors. eta vs tors. theta energy: -190.263 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: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2174.430019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2174.430019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2174.430019 (E_RNA) where: Base-Base interactions energy: -1440.391 where: short stacking energy: -664.445 Base-Backbone interact. energy: -2.141 local terms energy: -731.897248 where: bonds (distance) C4'-P energy: -134.596 bonds (distance) P-C4' energy: -184.199 flat angles C4'-P-C4' energy: -164.515 flat angles P-C4'-P energy: -97.463 tors. eta vs tors. theta energy: -151.125 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: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -2032.462918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.462918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.462918 (E_RNA) where: Base-Base interactions energy: -1388.771 where: short stacking energy: -631.538 Base-Backbone interact. energy: 0.330 local terms energy: -644.022330 where: bonds (distance) C4'-P energy: -136.531 bonds (distance) P-C4' energy: -139.603 flat angles C4'-P-C4' energy: -154.335 flat angles P-C4'-P energy: -93.361 tors. eta vs tors. theta energy: -120.193 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: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1499.779199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.779199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.779199 (E_RNA) where: Base-Base interactions energy: -941.453 where: short stacking energy: -465.273 Base-Backbone interact. energy: -0.367 local terms energy: -557.959520 where: bonds (distance) C4'-P energy: -145.753 bonds (distance) P-C4' energy: -136.899 flat angles C4'-P-C4' energy: -134.591 flat angles P-C4'-P energy: -71.606 tors. eta vs tors. theta energy: -69.111 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: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3402.086280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3402.086280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3402.086280 (E_RNA) where: Base-Base interactions energy: -2406.373 where: short stacking energy: -1043.822 Base-Backbone interact. energy: -2.879 local terms energy: -992.834351 where: bonds (distance) C4'-P energy: -185.309 bonds (distance) P-C4' energy: -188.948 flat angles C4'-P-C4' energy: -209.076 flat angles P-C4'-P energy: -121.948 tors. eta vs tors. theta energy: -287.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3294.545478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.545478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.545478 (E_RNA) where: Base-Base interactions energy: -2345.724 where: short stacking energy: -953.583 Base-Backbone interact. energy: -5.553 local terms energy: -943.268467 where: bonds (distance) C4'-P energy: -181.364 bonds (distance) P-C4' energy: -175.417 flat angles C4'-P-C4' energy: -189.606 flat angles P-C4'-P energy: -141.072 tors. eta vs tors. theta energy: -255.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -3165.479699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.479699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.479699 (E_RNA) where: Base-Base interactions energy: -2257.318 where: short stacking energy: -943.685 Base-Backbone interact. energy: -0.299 local terms energy: -907.862938 where: bonds (distance) C4'-P energy: -177.896 bonds (distance) P-C4' energy: -155.255 flat angles C4'-P-C4' energy: -194.665 flat angles P-C4'-P energy: -134.784 tors. eta vs tors. theta energy: -245.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -3009.562342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.562342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.562342 (E_RNA) where: Base-Base interactions energy: -2130.461 where: short stacking energy: -886.239 Base-Backbone interact. energy: -6.351 local terms energy: -872.751165 where: bonds (distance) C4'-P energy: -164.130 bonds (distance) P-C4' energy: -167.371 flat angles C4'-P-C4' energy: -186.272 flat angles P-C4'-P energy: -120.305 tors. eta vs tors. theta energy: -234.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2920.371367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.371367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.371367 (E_RNA) where: Base-Base interactions energy: -2064.199 where: short stacking energy: -835.757 Base-Backbone interact. energy: -0.451 local terms energy: -855.721527 where: bonds (distance) C4'-P energy: -165.472 bonds (distance) P-C4' energy: -166.587 flat angles C4'-P-C4' energy: -188.111 flat angles P-C4'-P energy: -116.299 tors. eta vs tors. theta energy: -219.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2810.251203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.251203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.251203 (E_RNA) where: Base-Base interactions energy: -1988.228 where: short stacking energy: -854.249 Base-Backbone interact. energy: -2.066 local terms energy: -819.956949 where: bonds (distance) C4'-P energy: -144.674 bonds (distance) P-C4' energy: -162.408 flat angles C4'-P-C4' energy: -176.999 flat angles P-C4'-P energy: -110.878 tors. eta vs tors. theta energy: -224.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2502.751474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.751474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.751474 (E_RNA) where: Base-Base interactions energy: -1701.297 where: short stacking energy: -759.770 Base-Backbone interact. energy: -2.064 local terms energy: -799.390740 where: bonds (distance) C4'-P energy: -162.625 bonds (distance) P-C4' energy: -162.042 flat angles C4'-P-C4' energy: -170.385 flat angles P-C4'-P energy: -105.611 tors. eta vs tors. theta energy: -198.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -2163.649903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.649903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.649903 (E_RNA) where: Base-Base interactions energy: -1456.932 where: short stacking energy: -651.233 Base-Backbone interact. energy: -1.092 local terms energy: -705.625791 where: bonds (distance) C4'-P energy: -129.948 bonds (distance) P-C4' energy: -150.544 flat angles C4'-P-C4' energy: -172.571 flat angles P-C4'-P energy: -105.025 tors. eta vs tors. theta energy: -147.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -2001.409403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.409403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.409403 (E_RNA) where: Base-Base interactions energy: -1351.542 where: short stacking energy: -624.496 Base-Backbone interact. energy: 2.839 local terms energy: -652.705532 where: bonds (distance) C4'-P energy: -140.346 bonds (distance) P-C4' energy: -139.209 flat angles C4'-P-C4' energy: -154.183 flat angles P-C4'-P energy: -100.472 tors. eta vs tors. theta energy: -118.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1406.873292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.873292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.873292 (E_RNA) where: Base-Base interactions energy: -885.736 where: short stacking energy: -404.052 Base-Backbone interact. energy: 10.569 local terms energy: -531.705757 where: bonds (distance) C4'-P energy: -135.667 bonds (distance) P-C4' energy: -142.954 flat angles C4'-P-C4' energy: -133.045 flat angles P-C4'-P energy: -74.054 tors. eta vs tors. theta energy: -45.985 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3419.298811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3419.298811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3419.298811 (E_RNA) where: Base-Base interactions energy: -2422.190 where: short stacking energy: -1034.310 Base-Backbone interact. energy: -5.151 local terms energy: -991.957783 where: bonds (distance) C4'-P energy: -172.368 bonds (distance) P-C4' energy: -182.584 flat angles C4'-P-C4' energy: -219.028 flat angles P-C4'-P energy: -140.896 tors. eta vs tors. theta energy: -277.082 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: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3326.621631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.621631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.621631 (E_RNA) where: Base-Base interactions energy: -2380.621 where: short stacking energy: -988.831 Base-Backbone interact. energy: 2.636 local terms energy: -948.636439 where: bonds (distance) C4'-P energy: -177.489 bonds (distance) P-C4' energy: -189.447 flat angles C4'-P-C4' energy: -200.808 flat angles P-C4'-P energy: -131.670 tors. eta vs tors. theta energy: -249.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -3140.337055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.337055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.337055 (E_RNA) where: Base-Base interactions energy: -2234.237 where: short stacking energy: -921.572 Base-Backbone interact. energy: 2.306 local terms energy: -908.406409 where: bonds (distance) C4'-P energy: -154.212 bonds (distance) P-C4' energy: -167.959 flat angles C4'-P-C4' energy: -205.441 flat angles P-C4'-P energy: -138.055 tors. eta vs tors. theta energy: -242.739 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: 4 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -3042.738501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.738501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.738501 (E_RNA) where: Base-Base interactions energy: -2153.825 where: short stacking energy: -911.419 Base-Backbone interact. energy: 1.268 local terms energy: -890.181577 where: bonds (distance) C4'-P energy: -166.791 bonds (distance) P-C4' energy: -172.619 flat angles C4'-P-C4' energy: -205.772 flat angles P-C4'-P energy: -120.578 tors. eta vs tors. theta energy: -224.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2944.784167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.784167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.784167 (E_RNA) where: Base-Base interactions energy: -2102.061 where: short stacking energy: -890.521 Base-Backbone interact. energy: -0.370 local terms energy: -842.353146 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -164.963 flat angles C4'-P-C4' energy: -170.889 flat angles P-C4'-P energy: -112.132 tors. eta vs tors. theta energy: -234.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2769.136065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.136065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.136065 (E_RNA) where: Base-Base interactions energy: -1926.549 where: short stacking energy: -811.309 Base-Backbone interact. energy: -1.478 local terms energy: -841.108875 where: bonds (distance) C4'-P energy: -145.461 bonds (distance) P-C4' energy: -173.877 flat angles C4'-P-C4' energy: -176.116 flat angles P-C4'-P energy: -130.277 tors. eta vs tors. theta energy: -215.378 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: 1 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2471.762994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.762994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.762994 (E_RNA) where: Base-Base interactions energy: -1714.038 where: short stacking energy: -710.547 Base-Backbone interact. energy: 1.225 local terms energy: -758.949800 where: bonds (distance) C4'-P energy: -151.480 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -190.983 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -181.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -2165.148159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2165.148159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2165.148159 (E_RNA) where: Base-Base interactions energy: -1443.576 where: short stacking energy: -624.198 Base-Backbone interact. energy: 1.418 local terms energy: -722.990092 where: bonds (distance) C4'-P energy: -152.417 bonds (distance) P-C4' energy: -170.716 flat angles C4'-P-C4' energy: -164.944 flat angles P-C4'-P energy: -95.593 tors. eta vs tors. theta energy: -139.320 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: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -2026.800262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.800262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.800262 (E_RNA) where: Base-Base interactions energy: -1362.764 where: short stacking energy: -644.351 Base-Backbone interact. energy: -0.699 local terms energy: -663.337726 where: bonds (distance) C4'-P energy: -138.001 bonds (distance) P-C4' energy: -156.649 flat angles C4'-P-C4' energy: -159.156 flat angles P-C4'-P energy: -85.819 tors. eta vs tors. theta energy: -123.712 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: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1450.395567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.395567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.395567 (E_RNA) where: Base-Base interactions energy: -904.507 where: short stacking energy: -416.865 Base-Backbone interact. energy: -3.235 local terms energy: -542.654002 where: bonds (distance) C4'-P energy: -162.074 bonds (distance) P-C4' energy: -115.364 flat angles C4'-P-C4' energy: -142.925 flat angles P-C4'-P energy: -83.091 tors. eta vs tors. theta energy: -39.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3394.347304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.347304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.347304 (E_RNA) where: Base-Base interactions energy: -2389.594 where: short stacking energy: -1037.650 Base-Backbone interact. energy: -1.195 local terms energy: -1003.557926 where: bonds (distance) C4'-P energy: -187.337 bonds (distance) P-C4' energy: -193.638 flat angles C4'-P-C4' energy: -209.081 flat angles P-C4'-P energy: -140.894 tors. eta vs tors. theta energy: -272.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -3272.049986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.049986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.049986 (E_RNA) where: Base-Base interactions energy: -2313.511 where: short stacking energy: -942.874 Base-Backbone interact. energy: -5.992 local terms energy: -952.546503 where: bonds (distance) C4'-P energy: -160.872 bonds (distance) P-C4' energy: -189.634 flat angles C4'-P-C4' energy: -199.523 flat angles P-C4'-P energy: -151.840 tors. eta vs tors. theta energy: -250.678 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: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -3126.224840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.224840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.224840 (E_RNA) where: Base-Base interactions energy: -2240.040 where: short stacking energy: -930.224 Base-Backbone interact. energy: -4.773 local terms energy: -881.411615 where: bonds (distance) C4'-P energy: -173.534 bonds (distance) P-C4' energy: -165.633 flat angles C4'-P-C4' energy: -192.110 flat angles P-C4'-P energy: -113.130 tors. eta vs tors. theta energy: -237.004 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: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2966.223454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.223454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.223454 (E_RNA) where: Base-Base interactions energy: -2088.890 where: short stacking energy: -889.851 Base-Backbone interact. energy: -0.165 local terms energy: -877.169041 where: bonds (distance) C4'-P energy: -163.862 bonds (distance) P-C4' energy: -169.688 flat angles C4'-P-C4' energy: -194.191 flat angles P-C4'-P energy: -109.998 tors. eta vs tors. theta energy: -239.430 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: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2941.615152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.615152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.615152 (E_RNA) where: Base-Base interactions energy: -2103.586 where: short stacking energy: -903.108 Base-Backbone interact. energy: -1.801 local terms energy: -836.227871 where: bonds (distance) C4'-P energy: -157.735 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -183.372 flat angles P-C4'-P energy: -113.239 tors. eta vs tors. theta energy: -236.208 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2833.663161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.663161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.663161 (E_RNA) where: Base-Base interactions energy: -2000.911 where: short stacking energy: -861.484 Base-Backbone interact. energy: -0.216 local terms energy: -832.536350 where: bonds (distance) C4'-P energy: -145.963 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -189.675 flat angles P-C4'-P energy: -104.599 tors. eta vs tors. theta energy: -231.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2396.233056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.233056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.233056 (E_RNA) where: Base-Base interactions energy: -1639.471 where: short stacking energy: -684.731 Base-Backbone interact. energy: -3.826 local terms energy: -752.935339 where: bonds (distance) C4'-P energy: -148.944 bonds (distance) P-C4' energy: -172.334 flat angles C4'-P-C4' energy: -171.155 flat angles P-C4'-P energy: -107.122 tors. eta vs tors. theta energy: -153.380 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: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -2079.283220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.283220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.283220 (E_RNA) where: Base-Base interactions energy: -1348.489 where: short stacking energy: -602.535 Base-Backbone interact. energy: -1.525 local terms energy: -729.269592 where: bonds (distance) C4'-P energy: -162.906 bonds (distance) P-C4' energy: -161.051 flat angles C4'-P-C4' energy: -159.478 flat angles P-C4'-P energy: -115.054 tors. eta vs tors. theta energy: -130.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1988.264810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.264810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.264810 (E_RNA) where: Base-Base interactions energy: -1316.008 where: short stacking energy: -629.810 Base-Backbone interact. energy: -3.409 local terms energy: -668.847857 where: bonds (distance) C4'-P energy: -129.765 bonds (distance) P-C4' energy: -162.702 flat angles C4'-P-C4' energy: -168.268 flat angles P-C4'-P energy: -67.825 tors. eta vs tors. theta energy: -140.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1481.861972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.861972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.861972 (E_RNA) where: Base-Base interactions energy: -921.785 where: short stacking energy: -466.761 Base-Backbone interact. energy: 3.904 local terms energy: -563.980736 where: bonds (distance) C4'-P energy: -123.095 bonds (distance) P-C4' energy: -157.659 flat angles C4'-P-C4' energy: -130.112 flat angles P-C4'-P energy: -84.374 tors. eta vs tors. theta energy: -68.740 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: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3417.583365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3417.583365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3417.583365 (E_RNA) where: Base-Base interactions energy: -2418.621 where: short stacking energy: -1032.696 Base-Backbone interact. energy: -8.370 local terms energy: -990.592774 where: bonds (distance) C4'-P energy: -178.407 bonds (distance) P-C4' energy: -193.983 flat angles C4'-P-C4' energy: -213.664 flat angles P-C4'-P energy: -126.778 tors. eta vs tors. theta energy: -277.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3289.907864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.907864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.907864 (E_RNA) where: Base-Base interactions energy: -2361.060 where: short stacking energy: -967.390 Base-Backbone interact. energy: -3.074 local terms energy: -925.774276 where: bonds (distance) C4'-P energy: -168.898 bonds (distance) P-C4' energy: -194.872 flat angles C4'-P-C4' energy: -190.757 flat angles P-C4'-P energy: -123.132 tors. eta vs tors. theta energy: -248.115 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: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -3109.751188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.751188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.751188 (E_RNA) where: Base-Base interactions energy: -2192.229 where: short stacking energy: -901.382 Base-Backbone interact. energy: -5.250 local terms energy: -912.272712 where: bonds (distance) C4'-P energy: -171.968 bonds (distance) P-C4' energy: -187.103 flat angles C4'-P-C4' energy: -194.134 flat angles P-C4'-P energy: -120.862 tors. eta vs tors. theta energy: -238.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -3005.496825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.496825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.496825 (E_RNA) where: Base-Base interactions energy: -2096.458 where: short stacking energy: -887.579 Base-Backbone interact. energy: 0.074 local terms energy: -909.113208 where: bonds (distance) C4'-P energy: -171.834 bonds (distance) P-C4' energy: -176.766 flat angles C4'-P-C4' energy: -198.139 flat angles P-C4'-P energy: -123.526 tors. eta vs tors. theta energy: -238.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2988.083200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.083200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.083200 (E_RNA) where: Base-Base interactions energy: -2137.246 where: short stacking energy: -905.196 Base-Backbone interact. energy: -4.705 local terms energy: -846.131428 where: bonds (distance) C4'-P energy: -132.549 bonds (distance) P-C4' energy: -170.510 flat angles C4'-P-C4' energy: -187.102 flat angles P-C4'-P energy: -114.181 tors. eta vs tors. theta energy: -241.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2795.598680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.598680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.598680 (E_RNA) where: Base-Base interactions energy: -1925.665 where: short stacking energy: -837.295 Base-Backbone interact. energy: 0.559 local terms energy: -870.492321 where: bonds (distance) C4'-P energy: -165.608 bonds (distance) P-C4' energy: -158.519 flat angles C4'-P-C4' energy: -196.699 flat angles P-C4'-P energy: -120.029 tors. eta vs tors. theta energy: -229.636 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: 1 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2420.308658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.308658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.308658 (E_RNA) where: Base-Base interactions energy: -1661.012 where: short stacking energy: -689.217 Base-Backbone interact. energy: -0.420 local terms energy: -758.876913 where: bonds (distance) C4'-P energy: -141.223 bonds (distance) P-C4' energy: -185.786 flat angles C4'-P-C4' energy: -156.212 flat angles P-C4'-P energy: -119.004 tors. eta vs tors. theta energy: -156.653 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: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -2119.550901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.550901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.550901 (E_RNA) where: Base-Base interactions energy: -1407.377 where: short stacking energy: -629.723 Base-Backbone interact. energy: 3.453 local terms energy: -715.626790 where: bonds (distance) C4'-P energy: -155.772 bonds (distance) P-C4' energy: -164.037 flat angles C4'-P-C4' energy: -162.677 flat angles P-C4'-P energy: -94.364 tors. eta vs tors. theta energy: -138.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -2016.822798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.822798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.822798 (E_RNA) where: Base-Base interactions energy: -1349.018 where: short stacking energy: -587.884 Base-Backbone interact. energy: 0.420 local terms energy: -668.223936 where: bonds (distance) C4'-P energy: -156.100 bonds (distance) P-C4' energy: -160.595 flat angles C4'-P-C4' energy: -137.333 flat angles P-C4'-P energy: -99.710 tors. eta vs tors. theta energy: -114.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1377.465118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.465118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.465118 (E_RNA) where: Base-Base interactions energy: -810.292 where: short stacking energy: -396.513 Base-Backbone interact. energy: -4.670 local terms energy: -562.502765 where: bonds (distance) C4'-P energy: -148.094 bonds (distance) P-C4' energy: -148.014 flat angles C4'-P-C4' energy: -146.388 flat angles P-C4'-P energy: -75.860 tors. eta vs tors. theta energy: -44.146 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: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3435.591899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.591899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.591899 (E_RNA) where: Base-Base interactions energy: -2427.360 where: short stacking energy: -1044.956 Base-Backbone interact. energy: -5.905 local terms energy: -1002.327367 where: bonds (distance) C4'-P energy: -178.813 bonds (distance) P-C4' energy: -183.479 flat angles C4'-P-C4' energy: -201.973 flat angles P-C4'-P energy: -149.950 tors. eta vs tors. theta energy: -288.112 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: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3339.620230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.620230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.620230 (E_RNA) where: Base-Base interactions energy: -2369.617 where: short stacking energy: -946.397 Base-Backbone interact. energy: -0.443 local terms energy: -969.560311 where: bonds (distance) C4'-P energy: -174.531 bonds (distance) P-C4' energy: -175.874 flat angles C4'-P-C4' energy: -210.495 flat angles P-C4'-P energy: -144.164 tors. eta vs tors. theta energy: -264.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -3133.217239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.217239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.217239 (E_RNA) where: Base-Base interactions energy: -2221.044 where: short stacking energy: -896.889 Base-Backbone interact. energy: -2.712 local terms energy: -909.461626 where: bonds (distance) C4'-P energy: -172.809 bonds (distance) P-C4' energy: -165.990 flat angles C4'-P-C4' energy: -193.004 flat angles P-C4'-P energy: -134.710 tors. eta vs tors. theta energy: -242.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -3066.028305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.028305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.028305 (E_RNA) where: Base-Base interactions energy: -2152.848 where: short stacking energy: -879.360 Base-Backbone interact. energy: 0.340 local terms energy: -913.520289 where: bonds (distance) C4'-P energy: -180.898 bonds (distance) P-C4' energy: -166.014 flat angles C4'-P-C4' energy: -203.594 flat angles P-C4'-P energy: -132.889 tors. eta vs tors. theta energy: -230.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2901.722595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.722595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.722595 (E_RNA) where: Base-Base interactions energy: -2090.260 where: short stacking energy: -867.963 Base-Backbone interact. energy: 1.909 local terms energy: -813.371210 where: bonds (distance) C4'-P energy: -152.391 bonds (distance) P-C4' energy: -147.710 flat angles C4'-P-C4' energy: -185.454 flat angles P-C4'-P energy: -110.533 tors. eta vs tors. theta energy: -217.283 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: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2823.896493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.896493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.896493 (E_RNA) where: Base-Base interactions energy: -1996.907 where: short stacking energy: -833.059 Base-Backbone interact. energy: 2.990 local terms energy: -829.979774 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -164.243 flat angles C4'-P-C4' energy: -189.163 flat angles P-C4'-P energy: -98.046 tors. eta vs tors. theta energy: -227.163 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: 7, replica: 1 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -2421.887872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.887872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.887872 (E_RNA) where: Base-Base interactions energy: -1663.313 where: short stacking energy: -767.308 Base-Backbone interact. energy: -4.556 local terms energy: -754.018881 where: bonds (distance) C4'-P energy: -152.285 bonds (distance) P-C4' energy: -144.754 flat angles C4'-P-C4' energy: -167.027 flat angles P-C4'-P energy: -110.018 tors. eta vs tors. theta energy: -179.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -2138.075611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.075611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.075611 (E_RNA) where: Base-Base interactions energy: -1413.040 where: short stacking energy: -646.338 Base-Backbone interact. energy: -0.951 local terms energy: -724.084619 where: bonds (distance) C4'-P energy: -157.283 bonds (distance) P-C4' energy: -166.228 flat angles C4'-P-C4' energy: -149.741 flat angles P-C4'-P energy: -96.237 tors. eta vs tors. theta energy: -154.595 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: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1957.843215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.843215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.843215 (E_RNA) where: Base-Base interactions energy: -1320.918 where: short stacking energy: -591.401 Base-Backbone interact. energy: 1.813 local terms energy: -638.737656 where: bonds (distance) C4'-P energy: -130.055 bonds (distance) P-C4' energy: -147.058 flat angles C4'-P-C4' energy: -154.884 flat angles P-C4'-P energy: -88.556 tors. eta vs tors. theta energy: -118.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1455.537700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.537700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.537700 (E_RNA) where: Base-Base interactions energy: -879.512 where: short stacking energy: -428.266 Base-Backbone interact. energy: 2.975 local terms energy: -579.000829 where: bonds (distance) C4'-P energy: -155.879 bonds (distance) P-C4' energy: -155.390 flat angles C4'-P-C4' energy: -146.804 flat angles P-C4'-P energy: -91.780 tors. eta vs tors. theta energy: -29.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3358.112724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3358.112724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3358.112724 (E_RNA) where: Base-Base interactions energy: -2370.695 where: short stacking energy: -982.005 Base-Backbone interact. energy: -5.981 local terms energy: -981.436850 where: bonds (distance) C4'-P energy: -186.093 bonds (distance) P-C4' energy: -187.230 flat angles C4'-P-C4' energy: -199.562 flat angles P-C4'-P energy: -147.800 tors. eta vs tors. theta energy: -260.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3361.015788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3361.015788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3361.015788 (E_RNA) where: Base-Base interactions energy: -2396.763 where: short stacking energy: -1023.830 Base-Backbone interact. energy: -7.067 local terms energy: -957.185554 where: bonds (distance) C4'-P energy: -176.466 bonds (distance) P-C4' energy: -153.298 flat angles C4'-P-C4' energy: -210.954 flat angles P-C4'-P energy: -135.973 tors. eta vs tors. theta energy: -280.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -3129.639138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.639138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.639138 (E_RNA) where: Base-Base interactions energy: -2206.144 where: short stacking energy: -926.589 Base-Backbone interact. energy: 0.848 local terms energy: -924.343217 where: bonds (distance) C4'-P energy: -173.472 bonds (distance) P-C4' energy: -175.439 flat angles C4'-P-C4' energy: -199.126 flat angles P-C4'-P energy: -130.536 tors. eta vs tors. theta energy: -245.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -3066.146905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.146905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.146905 (E_RNA) where: Base-Base interactions energy: -2182.487 where: short stacking energy: -873.888 Base-Backbone interact. energy: 2.276 local terms energy: -885.935743 where: bonds (distance) C4'-P energy: -167.359 bonds (distance) P-C4' energy: -178.926 flat angles C4'-P-C4' energy: -190.556 flat angles P-C4'-P energy: -129.431 tors. eta vs tors. theta energy: -219.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2910.061041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.061041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.061041 (E_RNA) where: Base-Base interactions energy: -2045.522 where: short stacking energy: -850.000 Base-Backbone interact. energy: 0.368 local terms energy: -864.907148 where: bonds (distance) C4'-P energy: -154.380 bonds (distance) P-C4' energy: -160.328 flat angles C4'-P-C4' energy: -192.042 flat angles P-C4'-P energy: -141.150 tors. eta vs tors. theta energy: -217.007 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: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2891.889606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.889606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.889606 (E_RNA) where: Base-Base interactions energy: -2045.649 where: short stacking energy: -878.836 Base-Backbone interact. energy: 0.277 local terms energy: -846.517776 where: bonds (distance) C4'-P energy: -138.670 bonds (distance) P-C4' energy: -177.370 flat angles C4'-P-C4' energy: -181.767 flat angles P-C4'-P energy: -120.183 tors. eta vs tors. theta energy: -228.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2392.970117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.970117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.970117 (E_RNA) where: Base-Base interactions energy: -1618.589 where: short stacking energy: -706.759 Base-Backbone interact. energy: -1.781 local terms energy: -772.600747 where: bonds (distance) C4'-P energy: -136.286 bonds (distance) P-C4' energy: -169.832 flat angles C4'-P-C4' energy: -160.809 flat angles P-C4'-P energy: -119.026 tors. eta vs tors. theta energy: -186.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2151.529980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2151.529980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2151.529980 (E_RNA) where: Base-Base interactions energy: -1468.831 where: short stacking energy: -662.475 Base-Backbone interact. energy: 4.788 local terms energy: -687.487273 where: bonds (distance) C4'-P energy: -118.571 bonds (distance) P-C4' energy: -136.383 flat angles C4'-P-C4' energy: -183.751 flat angles P-C4'-P energy: -107.325 tors. eta vs tors. theta energy: -141.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1959.368325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.368325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.368325 (E_RNA) where: Base-Base interactions energy: -1310.470 where: short stacking energy: -574.714 Base-Backbone interact. energy: 0.994 local terms energy: -649.892985 where: bonds (distance) C4'-P energy: -156.457 bonds (distance) P-C4' energy: -132.918 flat angles C4'-P-C4' energy: -161.586 flat angles P-C4'-P energy: -89.901 tors. eta vs tors. theta energy: -109.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1471.894770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.894770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.894770 (E_RNA) where: Base-Base interactions energy: -930.692 where: short stacking energy: -410.800 Base-Backbone interact. energy: 4.026 local terms energy: -545.228356 where: bonds (distance) C4'-P energy: -127.406 bonds (distance) P-C4' energy: -149.121 flat angles C4'-P-C4' energy: -129.687 flat angles P-C4'-P energy: -85.327 tors. eta vs tors. theta energy: -53.688 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: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3371.690667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.690667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.690667 (E_RNA) where: Base-Base interactions energy: -2398.867 where: short stacking energy: -1020.618 Base-Backbone interact. energy: -6.532 local terms energy: -966.291504 where: bonds (distance) C4'-P energy: -165.778 bonds (distance) P-C4' energy: -179.033 flat angles C4'-P-C4' energy: -209.723 flat angles P-C4'-P energy: -136.983 tors. eta vs tors. theta energy: -274.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -3364.323748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3364.323748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3364.323748 (E_RNA) where: Base-Base interactions energy: -2375.820 where: short stacking energy: -1012.468 Base-Backbone interact. energy: -6.196 local terms energy: -982.308110 where: bonds (distance) C4'-P energy: -164.467 bonds (distance) P-C4' energy: -194.568 flat angles C4'-P-C4' energy: -209.472 flat angles P-C4'-P energy: -140.078 tors. eta vs tors. theta energy: -273.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -3147.504496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.504496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.504496 (E_RNA) where: Base-Base interactions energy: -2212.888 where: short stacking energy: -933.622 Base-Backbone interact. energy: -2.723 local terms energy: -931.893342 where: bonds (distance) C4'-P energy: -179.988 bonds (distance) P-C4' energy: -167.014 flat angles C4'-P-C4' energy: -202.967 flat angles P-C4'-P energy: -137.096 tors. eta vs tors. theta energy: -244.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -3040.965041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.965041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.965041 (E_RNA) where: Base-Base interactions energy: -2164.191 where: short stacking energy: -862.161 Base-Backbone interact. energy: -0.585 local terms energy: -876.189409 where: bonds (distance) C4'-P energy: -141.458 bonds (distance) P-C4' energy: -184.371 flat angles C4'-P-C4' energy: -200.152 flat angles P-C4'-P energy: -122.587 tors. eta vs tors. theta energy: -227.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2926.836061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.836061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.836061 (E_RNA) where: Base-Base interactions energy: -2084.134 where: short stacking energy: -852.096 Base-Backbone interact. energy: -0.160 local terms energy: -842.541583 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -139.724 flat angles C4'-P-C4' energy: -202.035 flat angles P-C4'-P energy: -133.054 tors. eta vs tors. theta energy: -218.938 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: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2813.111959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.111959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.111959 (E_RNA) where: Base-Base interactions energy: -1985.792 where: short stacking energy: -868.902 Base-Backbone interact. energy: -0.663 local terms energy: -826.656959 where: bonds (distance) C4'-P energy: -122.604 bonds (distance) P-C4' energy: -166.694 flat angles C4'-P-C4' energy: -190.164 flat angles P-C4'-P energy: -123.076 tors. eta vs tors. theta energy: -224.119 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: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2432.252008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2432.252008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2432.252008 (E_RNA) where: Base-Base interactions energy: -1667.641 where: short stacking energy: -715.522 Base-Backbone interact. energy: -0.648 local terms energy: -763.962906 where: bonds (distance) C4'-P energy: -151.204 bonds (distance) P-C4' energy: -157.834 flat angles C4'-P-C4' energy: -172.712 flat angles P-C4'-P energy: -109.605 tors. eta vs tors. theta energy: -172.607 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: 8, replica: 8 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -2098.255378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2098.255378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2098.255378 (E_RNA) where: Base-Base interactions energy: -1401.239 where: short stacking energy: -617.480 Base-Backbone interact. energy: -4.793 local terms energy: -692.224288 where: bonds (distance) C4'-P energy: -154.146 bonds (distance) P-C4' energy: -150.495 flat angles C4'-P-C4' energy: -160.598 flat angles P-C4'-P energy: -93.543 tors. eta vs tors. theta energy: -133.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -2040.698528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.698528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.698528 (E_RNA) where: Base-Base interactions energy: -1366.850 where: short stacking energy: -598.447 Base-Backbone interact. energy: 2.433 local terms energy: -676.281863 where: bonds (distance) C4'-P energy: -135.806 bonds (distance) P-C4' energy: -150.353 flat angles C4'-P-C4' energy: -164.714 flat angles P-C4'-P energy: -97.136 tors. eta vs tors. theta energy: -128.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1542.418561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.418561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.418561 (E_RNA) where: Base-Base interactions energy: -965.807 where: short stacking energy: -457.181 Base-Backbone interact. energy: -2.144 local terms energy: -574.467315 where: bonds (distance) C4'-P energy: -154.385 bonds (distance) P-C4' energy: -141.291 flat angles C4'-P-C4' energy: -137.090 flat angles P-C4'-P energy: -81.881 tors. eta vs tors. theta energy: -59.819 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: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3378.588231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3378.588231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3378.588231 (E_RNA) where: Base-Base interactions energy: -2399.209 where: short stacking energy: -1011.677 Base-Backbone interact. energy: -1.824 local terms energy: -977.555738 where: bonds (distance) C4'-P energy: -179.578 bonds (distance) P-C4' energy: -191.582 flat angles C4'-P-C4' energy: -204.630 flat angles P-C4'-P energy: -140.424 tors. eta vs tors. theta energy: -261.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -3351.164139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.164139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.164139 (E_RNA) where: Base-Base interactions energy: -2339.266 where: short stacking energy: -1005.742 Base-Backbone interact. energy: -8.292 local terms energy: -1003.606440 where: bonds (distance) C4'-P energy: -203.313 bonds (distance) P-C4' energy: -181.345 flat angles C4'-P-C4' energy: -209.782 flat angles P-C4'-P energy: -134.350 tors. eta vs tors. theta energy: -274.817 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: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -3140.504396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.504396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.504396 (E_RNA) where: Base-Base interactions energy: -2249.321 where: short stacking energy: -949.009 Base-Backbone interact. energy: -6.618 local terms energy: -884.565382 where: bonds (distance) C4'-P energy: -152.657 bonds (distance) P-C4' energy: -167.322 flat angles C4'-P-C4' energy: -196.200 flat angles P-C4'-P energy: -130.906 tors. eta vs tors. theta energy: -237.480 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: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -3025.133202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.133202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.133202 (E_RNA) where: Base-Base interactions energy: -2150.360 where: short stacking energy: -873.443 Base-Backbone interact. energy: 2.328 local terms energy: -877.101969 where: bonds (distance) C4'-P energy: -170.045 bonds (distance) P-C4' energy: -169.742 flat angles C4'-P-C4' energy: -183.883 flat angles P-C4'-P energy: -128.074 tors. eta vs tors. theta energy: -225.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2921.999174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.999174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.999174 (E_RNA) where: Base-Base interactions energy: -2064.507 where: short stacking energy: -857.303 Base-Backbone interact. energy: -5.783 local terms energy: -851.709192 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -172.582 flat angles C4'-P-C4' energy: -179.444 flat angles P-C4'-P energy: -125.201 tors. eta vs tors. theta energy: -223.265 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: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2783.015448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.015448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.015448 (E_RNA) where: Base-Base interactions energy: -1917.748 where: short stacking energy: -822.114 Base-Backbone interact. energy: -4.282 local terms energy: -860.985513 where: bonds (distance) C4'-P energy: -166.802 bonds (distance) P-C4' energy: -155.414 flat angles C4'-P-C4' energy: -192.021 flat angles P-C4'-P energy: -129.040 tors. eta vs tors. theta energy: -217.708 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: 1 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2343.035886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.035886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.035886 (E_RNA) where: Base-Base interactions energy: -1600.260 where: short stacking energy: -737.506 Base-Backbone interact. energy: 1.556 local terms energy: -744.332211 where: bonds (distance) C4'-P energy: -130.710 bonds (distance) P-C4' energy: -151.482 flat angles C4'-P-C4' energy: -185.505 flat angles P-C4'-P energy: -99.623 tors. eta vs tors. theta energy: -177.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -2115.797656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2115.797656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2115.797656 (E_RNA) where: Base-Base interactions energy: -1406.682 where: short stacking energy: -622.150 Base-Backbone interact. energy: -3.175 local terms energy: -705.940890 where: bonds (distance) C4'-P energy: -137.744 bonds (distance) P-C4' energy: -165.627 flat angles C4'-P-C4' energy: -188.606 flat angles P-C4'-P energy: -97.186 tors. eta vs tors. theta energy: -116.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1989.766641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.766641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.766641 (E_RNA) where: Base-Base interactions energy: -1311.138 where: short stacking energy: -575.143 Base-Backbone interact. energy: -0.268 local terms energy: -678.360506 where: bonds (distance) C4'-P energy: -145.395 bonds (distance) P-C4' energy: -171.179 flat angles C4'-P-C4' energy: -151.507 flat angles P-C4'-P energy: -96.155 tors. eta vs tors. theta energy: -114.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1517.430493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.430493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.430493 (E_RNA) where: Base-Base interactions energy: -988.192 where: short stacking energy: -467.136 Base-Backbone interact. energy: 9.634 local terms energy: -538.872999 where: bonds (distance) C4'-P energy: -136.586 bonds (distance) P-C4' energy: -135.271 flat angles C4'-P-C4' energy: -131.234 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -60.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3368.853438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3368.853438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3368.853438 (E_RNA) where: Base-Base interactions energy: -2379.358 where: short stacking energy: -985.269 Base-Backbone interact. energy: 4.195 local terms energy: -993.689743 where: bonds (distance) C4'-P energy: -174.782 bonds (distance) P-C4' energy: -189.134 flat angles C4'-P-C4' energy: -214.294 flat angles P-C4'-P energy: -147.293 tors. eta vs tors. theta energy: -268.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -3345.066317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.066317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.066317 (E_RNA) where: Base-Base interactions energy: -2384.583 where: short stacking energy: -1016.787 Base-Backbone interact. energy: -5.721 local terms energy: -954.762435 where: bonds (distance) C4'-P energy: -156.765 bonds (distance) P-C4' energy: -177.446 flat angles C4'-P-C4' energy: -213.380 flat angles P-C4'-P energy: -130.426 tors. eta vs tors. theta energy: -276.745 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: 4 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -3156.884632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.884632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.884632 (E_RNA) where: Base-Base interactions energy: -2242.605 where: short stacking energy: -920.635 Base-Backbone interact. energy: 7.984 local terms energy: -922.263339 where: bonds (distance) C4'-P energy: -187.308 bonds (distance) P-C4' energy: -166.880 flat angles C4'-P-C4' energy: -202.259 flat angles P-C4'-P energy: -127.824 tors. eta vs tors. theta energy: -237.992 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: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -3050.795222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.795222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.795222 (E_RNA) where: Base-Base interactions energy: -2174.213 where: short stacking energy: -867.380 Base-Backbone interact. energy: -2.512 local terms energy: -874.069558 where: bonds (distance) C4'-P energy: -158.826 bonds (distance) P-C4' energy: -183.161 flat angles C4'-P-C4' energy: -191.325 flat angles P-C4'-P energy: -114.954 tors. eta vs tors. theta energy: -225.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2936.471079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.471079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.471079 (E_RNA) where: Base-Base interactions energy: -2044.930 where: short stacking energy: -815.271 Base-Backbone interact. energy: -4.101 local terms energy: -887.439547 where: bonds (distance) C4'-P energy: -169.835 bonds (distance) P-C4' energy: -163.091 flat angles C4'-P-C4' energy: -197.594 flat angles P-C4'-P energy: -141.833 tors. eta vs tors. theta energy: -215.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2810.969510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.969510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.969510 (E_RNA) where: Base-Base interactions energy: -1965.012 where: short stacking energy: -819.120 Base-Backbone interact. energy: -1.949 local terms energy: -844.007847 where: bonds (distance) C4'-P energy: -165.051 bonds (distance) P-C4' energy: -159.154 flat angles C4'-P-C4' energy: -194.515 flat angles P-C4'-P energy: -104.890 tors. eta vs tors. theta energy: -220.397 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: 7, replica: 1 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2399.843106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.843106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.843106 (E_RNA) where: Base-Base interactions energy: -1620.653 where: short stacking energy: -716.636 Base-Backbone interact. energy: -2.077 local terms energy: -777.113630 where: bonds (distance) C4'-P energy: -157.218 bonds (distance) P-C4' energy: -171.362 flat angles C4'-P-C4' energy: -168.508 flat angles P-C4'-P energy: -107.261 tors. eta vs tors. theta energy: -172.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -2178.277057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2178.277057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2178.277057 (E_RNA) where: Base-Base interactions energy: -1466.527 where: short stacking energy: -641.043 Base-Backbone interact. energy: -2.076 local terms energy: -709.673528 where: bonds (distance) C4'-P energy: -136.373 bonds (distance) P-C4' energy: -157.454 flat angles C4'-P-C4' energy: -177.077 flat angles P-C4'-P energy: -90.286 tors. eta vs tors. theta energy: -148.483 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: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1953.998864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.998864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.998864 (E_RNA) where: Base-Base interactions energy: -1321.602 where: short stacking energy: -591.873 Base-Backbone interact. energy: 9.781 local terms energy: -642.177943 where: bonds (distance) C4'-P energy: -131.894 bonds (distance) P-C4' energy: -166.102 flat angles C4'-P-C4' energy: -158.840 flat angles P-C4'-P energy: -69.772 tors. eta vs tors. theta energy: -115.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1437.549372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.549372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.549372 (E_RNA) where: Base-Base interactions energy: -923.873 where: short stacking energy: -442.269 Base-Backbone interact. energy: -2.150 local terms energy: -511.526315 where: bonds (distance) C4'-P energy: -117.524 bonds (distance) P-C4' energy: -130.024 flat angles C4'-P-C4' energy: -132.619 flat angles P-C4'-P energy: -74.450 tors. eta vs tors. theta energy: -56.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3373.819285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.819285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.819285 (E_RNA) where: Base-Base interactions energy: -2405.895 where: short stacking energy: -983.139 Base-Backbone interact. energy: -3.971 local terms energy: -963.952669 where: bonds (distance) C4'-P energy: -175.712 bonds (distance) P-C4' energy: -181.886 flat angles C4'-P-C4' energy: -209.166 flat angles P-C4'-P energy: -139.515 tors. eta vs tors. theta energy: -257.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3387.335122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.335122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.335122 (E_RNA) where: Base-Base interactions energy: -2381.851 where: short stacking energy: -1012.457 Base-Backbone interact. energy: -9.928 local terms energy: -995.556289 where: bonds (distance) C4'-P energy: -174.500 bonds (distance) P-C4' energy: -182.406 flat angles C4'-P-C4' energy: -207.972 flat angles P-C4'-P energy: -144.526 tors. eta vs tors. theta energy: -286.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -3056.930494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.930494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.930494 (E_RNA) where: Base-Base interactions energy: -2146.177 where: short stacking energy: -908.707 Base-Backbone interact. energy: -7.169 local terms energy: -903.584858 where: bonds (distance) C4'-P energy: -149.635 bonds (distance) P-C4' energy: -173.516 flat angles C4'-P-C4' energy: -197.103 flat angles P-C4'-P energy: -139.390 tors. eta vs tors. theta energy: -243.941 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: 312 Temperature: 1.050000 Total energy: -3024.148228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.148228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.148228 (E_RNA) where: Base-Base interactions energy: -2175.115 where: short stacking energy: -859.233 Base-Backbone interact. energy: -2.839 local terms energy: -846.193808 where: bonds (distance) C4'-P energy: -160.578 bonds (distance) P-C4' energy: -161.940 flat angles C4'-P-C4' energy: -179.723 flat angles P-C4'-P energy: -118.384 tors. eta vs tors. theta energy: -225.569 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: 312 Temperature: 1.100000 Total energy: -2934.856395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.856395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.856395 (E_RNA) where: Base-Base interactions energy: -2111.418 where: short stacking energy: -867.911 Base-Backbone interact. energy: -7.731 local terms energy: -815.706844 where: bonds (distance) C4'-P energy: -145.495 bonds (distance) P-C4' energy: -144.140 flat angles C4'-P-C4' energy: -194.620 flat angles P-C4'-P energy: -117.528 tors. eta vs tors. theta energy: -213.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2798.276558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.276558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.276558 (E_RNA) where: Base-Base interactions energy: -1930.779 where: short stacking energy: -844.052 Base-Backbone interact. energy: 1.660 local terms energy: -869.157172 where: bonds (distance) C4'-P energy: -157.274 bonds (distance) P-C4' energy: -164.516 flat angles C4'-P-C4' energy: -201.176 flat angles P-C4'-P energy: -136.559 tors. eta vs tors. theta energy: -209.633 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: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2438.188457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.188457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.188457 (E_RNA) where: Base-Base interactions energy: -1628.600 where: short stacking energy: -719.633 Base-Backbone interact. energy: 9.049 local terms energy: -818.637718 where: bonds (distance) C4'-P energy: -149.462 bonds (distance) P-C4' energy: -166.153 flat angles C4'-P-C4' energy: -176.488 flat angles P-C4'-P energy: -126.301 tors. eta vs tors. theta energy: -200.233 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: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2245.118859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.118859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.118859 (E_RNA) where: Base-Base interactions energy: -1514.474 where: short stacking energy: -664.438 Base-Backbone interact. energy: -3.988 local terms energy: -726.657381 where: bonds (distance) C4'-P energy: -146.175 bonds (distance) P-C4' energy: -157.610 flat angles C4'-P-C4' energy: -180.204 flat angles P-C4'-P energy: -96.329 tors. eta vs tors. theta energy: -146.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1996.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.744290 (E_RNA) where: Base-Base interactions energy: -1326.613 where: short stacking energy: -616.754 Base-Backbone interact. energy: -4.241 local terms energy: -665.890715 where: bonds (distance) C4'-P energy: -136.878 bonds (distance) P-C4' energy: -149.364 flat angles C4'-P-C4' energy: -151.715 flat angles P-C4'-P energy: -99.028 tors. eta vs tors. theta energy: -128.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1396.734057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.734057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.734057 (E_RNA) where: Base-Base interactions energy: -815.428 where: short stacking energy: -399.082 Base-Backbone interact. energy: 2.557 local terms energy: -583.862931 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -169.680 flat angles C4'-P-C4' energy: -138.982 flat angles P-C4'-P energy: -79.611 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: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3400.802873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3400.802873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3400.802873 (E_RNA) where: Base-Base interactions energy: -2416.537 where: short stacking energy: -990.544 Base-Backbone interact. energy: -4.759 local terms energy: -979.506479 where: bonds (distance) C4'-P energy: -178.668 bonds (distance) P-C4' energy: -191.255 flat angles C4'-P-C4' energy: -208.364 flat angles P-C4'-P energy: -136.401 tors. eta vs tors. theta energy: -264.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -3343.324902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.324902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.324902 (E_RNA) where: Base-Base interactions energy: -2392.564 where: short stacking energy: -1006.509 Base-Backbone interact. energy: 0.128 local terms energy: -950.889224 where: bonds (distance) C4'-P energy: -191.967 bonds (distance) P-C4' energy: -167.500 flat angles C4'-P-C4' energy: -186.307 flat angles P-C4'-P energy: -127.878 tors. eta vs tors. theta energy: -277.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -3064.448423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.448423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.448423 (E_RNA) where: Base-Base interactions energy: -2175.653 where: short stacking energy: -923.790 Base-Backbone interact. energy: -3.995 local terms energy: -884.800541 where: bonds (distance) C4'-P energy: -145.996 bonds (distance) P-C4' energy: -169.108 flat angles C4'-P-C4' energy: -201.883 flat angles P-C4'-P energy: -122.499 tors. eta vs tors. theta energy: -245.314 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: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -3050.472154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.472154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.472154 (E_RNA) where: Base-Base interactions energy: -2204.756 where: short stacking energy: -902.734 Base-Backbone interact. energy: -2.207 local terms energy: -843.509621 where: bonds (distance) C4'-P energy: -138.282 bonds (distance) P-C4' energy: -165.488 flat angles C4'-P-C4' energy: -197.437 flat angles P-C4'-P energy: -127.248 tors. eta vs tors. theta energy: -215.055 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: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2966.984939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.984939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.984939 (E_RNA) where: Base-Base interactions energy: -2103.363 where: short stacking energy: -847.779 Base-Backbone interact. energy: 8.788 local terms energy: -872.409766 where: bonds (distance) C4'-P energy: -160.180 bonds (distance) P-C4' energy: -172.524 flat angles C4'-P-C4' energy: -197.088 flat angles P-C4'-P energy: -129.983 tors. eta vs tors. theta energy: -212.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -2735.390276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.390276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.390276 (E_RNA) where: Base-Base interactions energy: -1936.562 where: short stacking energy: -816.916 Base-Backbone interact. energy: -1.511 local terms energy: -797.316965 where: bonds (distance) C4'-P energy: -133.536 bonds (distance) P-C4' energy: -162.476 flat angles C4'-P-C4' energy: -189.888 flat angles P-C4'-P energy: -114.737 tors. eta vs tors. theta energy: -196.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2442.032398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.032398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.032398 (E_RNA) where: Base-Base interactions energy: -1642.690 where: short stacking energy: -723.359 Base-Backbone interact. energy: -4.235 local terms energy: -795.107880 where: bonds (distance) C4'-P energy: -154.139 bonds (distance) P-C4' energy: -164.762 flat angles C4'-P-C4' energy: -179.474 flat angles P-C4'-P energy: -116.132 tors. eta vs tors. theta energy: -180.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -2170.133756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2170.133756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2170.133756 (E_RNA) where: Base-Base interactions energy: -1479.922 where: short stacking energy: -621.634 Base-Backbone interact. energy: 2.509 local terms energy: -692.719775 where: bonds (distance) C4'-P energy: -148.605 bonds (distance) P-C4' energy: -157.222 flat angles C4'-P-C4' energy: -147.940 flat angles P-C4'-P energy: -99.924 tors. eta vs tors. theta energy: -139.029 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: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1984.414200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.414200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.414200 (E_RNA) where: Base-Base interactions energy: -1313.092 where: short stacking energy: -583.922 Base-Backbone interact. energy: 0.398 local terms energy: -671.720557 where: bonds (distance) C4'-P energy: -137.371 bonds (distance) P-C4' energy: -141.932 flat angles C4'-P-C4' energy: -164.178 flat angles P-C4'-P energy: -105.871 tors. eta vs tors. theta energy: -122.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1406.925188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.925188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.925188 (E_RNA) where: Base-Base interactions energy: -865.033 where: short stacking energy: -382.254 Base-Backbone interact. energy: -0.856 local terms energy: -541.036389 where: bonds (distance) C4'-P energy: -139.038 bonds (distance) P-C4' energy: -146.846 flat angles C4'-P-C4' energy: -149.573 flat angles P-C4'-P energy: -71.482 tors. eta vs tors. theta energy: -34.098 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: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3365.065028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.065028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.065028 (E_RNA) where: Base-Base interactions energy: -2405.459 where: short stacking energy: -998.851 Base-Backbone interact. energy: -1.310 local terms energy: -958.295509 where: bonds (distance) C4'-P energy: -181.831 bonds (distance) P-C4' energy: -178.931 flat angles C4'-P-C4' energy: -203.212 flat angles P-C4'-P energy: -143.178 tors. eta vs tors. theta energy: -251.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3371.885801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.885801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.885801 (E_RNA) where: Base-Base interactions energy: -2403.844 where: short stacking energy: -1020.487 Base-Backbone interact. energy: -6.656 local terms energy: -961.386384 where: bonds (distance) C4'-P energy: -177.514 bonds (distance) P-C4' energy: -170.872 flat angles C4'-P-C4' energy: -217.543 flat angles P-C4'-P energy: -118.304 tors. eta vs tors. theta energy: -277.154 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: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -3117.956602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.956602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.956602 (E_RNA) where: Base-Base interactions energy: -2175.883 where: short stacking energy: -924.252 Base-Backbone interact. energy: -4.982 local terms energy: -937.091954 where: bonds (distance) C4'-P energy: -177.032 bonds (distance) P-C4' energy: -175.182 flat angles C4'-P-C4' energy: -211.235 flat angles P-C4'-P energy: -126.637 tors. eta vs tors. theta energy: -247.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -3041.601018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.601018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.601018 (E_RNA) where: Base-Base interactions energy: -2145.788 where: short stacking energy: -897.855 Base-Backbone interact. energy: -1.557 local terms energy: -894.255966 where: bonds (distance) C4'-P energy: -179.533 bonds (distance) P-C4' energy: -171.025 flat angles C4'-P-C4' energy: -199.824 flat angles P-C4'-P energy: -115.899 tors. eta vs tors. theta energy: -227.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2978.428173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.428173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.428173 (E_RNA) where: Base-Base interactions energy: -2107.506 where: short stacking energy: -825.857 Base-Backbone interact. energy: 0.591 local terms energy: -871.513102 where: bonds (distance) C4'-P energy: -173.120 bonds (distance) P-C4' energy: -165.789 flat angles C4'-P-C4' energy: -180.810 flat angles P-C4'-P energy: -129.376 tors. eta vs tors. theta energy: -222.417 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: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2759.722128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.722128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.722128 (E_RNA) where: Base-Base interactions energy: -1951.618 where: short stacking energy: -842.431 Base-Backbone interact. energy: -2.851 local terms energy: -805.252812 where: bonds (distance) C4'-P energy: -155.901 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -173.428 flat angles P-C4'-P energy: -114.707 tors. eta vs tors. theta energy: -209.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2506.115192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.115192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.115192 (E_RNA) where: Base-Base interactions energy: -1700.383 where: short stacking energy: -744.030 Base-Backbone interact. energy: -1.033 local terms energy: -804.699171 where: bonds (distance) C4'-P energy: -148.092 bonds (distance) P-C4' energy: -170.169 flat angles C4'-P-C4' energy: -189.734 flat angles P-C4'-P energy: -87.267 tors. eta vs tors. theta energy: -209.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2182.156599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.156599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.156599 (E_RNA) where: Base-Base interactions energy: -1470.329 where: short stacking energy: -635.296 Base-Backbone interact. energy: 7.692 local terms energy: -719.519310 where: bonds (distance) C4'-P energy: -158.630 bonds (distance) P-C4' energy: -164.264 flat angles C4'-P-C4' energy: -152.476 flat angles P-C4'-P energy: -105.333 tors. eta vs tors. theta energy: -138.816 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: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1992.821046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.821046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.821046 (E_RNA) where: Base-Base interactions energy: -1327.563 where: short stacking energy: -608.449 Base-Backbone interact. energy: -0.647 local terms energy: -664.611438 where: bonds (distance) C4'-P energy: -157.661 bonds (distance) P-C4' energy: -171.604 flat angles C4'-P-C4' energy: -134.186 flat angles P-C4'-P energy: -91.424 tors. eta vs tors. theta energy: -109.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1396.065330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.065330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.065330 (E_RNA) where: Base-Base interactions energy: -851.611 where: short stacking energy: -384.413 Base-Backbone interact. energy: 1.621 local terms energy: -546.075241 where: bonds (distance) C4'-P energy: -149.299 bonds (distance) P-C4' energy: -153.092 flat angles C4'-P-C4' energy: -134.385 flat angles P-C4'-P energy: -73.331 tors. eta vs tors. theta energy: -35.967 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: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3343.604155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.604155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.604155 (E_RNA) where: Base-Base interactions energy: -2381.430 where: short stacking energy: -982.558 Base-Backbone interact. energy: -1.636 local terms energy: -960.537871 where: bonds (distance) C4'-P energy: -180.086 bonds (distance) P-C4' energy: -180.479 flat angles C4'-P-C4' energy: -199.754 flat angles P-C4'-P energy: -139.067 tors. eta vs tors. theta energy: -261.151 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3347.850519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.850519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.850519 (E_RNA) where: Base-Base interactions energy: -2373.916 where: short stacking energy: -1002.019 Base-Backbone interact. energy: -7.889 local terms energy: -966.045735 where: bonds (distance) C4'-P energy: -174.603 bonds (distance) P-C4' energy: -180.824 flat angles C4'-P-C4' energy: -195.400 flat angles P-C4'-P energy: -142.606 tors. eta vs tors. theta energy: -272.614 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: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -3017.207744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.207744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.207744 (E_RNA) where: Base-Base interactions energy: -2118.887 where: short stacking energy: -888.294 Base-Backbone interact. energy: 5.131 local terms energy: -903.451141 where: bonds (distance) C4'-P energy: -171.842 bonds (distance) P-C4' energy: -185.164 flat angles C4'-P-C4' energy: -179.650 flat angles P-C4'-P energy: -135.276 tors. eta vs tors. theta energy: -231.519 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: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -3022.628366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.628366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.628366 (E_RNA) where: Base-Base interactions energy: -2140.170 where: short stacking energy: -883.568 Base-Backbone interact. energy: -1.436 local terms energy: -881.021661 where: bonds (distance) C4'-P energy: -166.061 bonds (distance) P-C4' energy: -172.200 flat angles C4'-P-C4' energy: -193.492 flat angles P-C4'-P energy: -122.035 tors. eta vs tors. theta energy: -227.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2912.537106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.537106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.537106 (E_RNA) where: Base-Base interactions energy: -2058.015 where: short stacking energy: -824.783 Base-Backbone interact. energy: -3.347 local terms energy: -851.174905 where: bonds (distance) C4'-P energy: -154.152 bonds (distance) P-C4' energy: -175.411 flat angles C4'-P-C4' energy: -190.993 flat angles P-C4'-P energy: -115.669 tors. eta vs tors. theta energy: -214.950 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: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -2783.591115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.591115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.591115 (E_RNA) where: Base-Base interactions energy: -1941.907 where: short stacking energy: -863.610 Base-Backbone interact. energy: -1.540 local terms energy: -840.143709 where: bonds (distance) C4'-P energy: -173.621 bonds (distance) P-C4' energy: -142.007 flat angles C4'-P-C4' energy: -184.984 flat angles P-C4'-P energy: -112.050 tors. eta vs tors. theta energy: -227.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2469.060535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.060535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.060535 (E_RNA) where: Base-Base interactions energy: -1700.821 where: short stacking energy: -734.838 Base-Backbone interact. energy: -0.093 local terms energy: -768.146353 where: bonds (distance) C4'-P energy: -159.814 bonds (distance) P-C4' energy: -134.635 flat angles C4'-P-C4' energy: -176.220 flat angles P-C4'-P energy: -119.644 tors. eta vs tors. theta energy: -177.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2270.748361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.748361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.748361 (E_RNA) where: Base-Base interactions energy: -1539.037 where: short stacking energy: -695.776 Base-Backbone interact. energy: 0.448 local terms energy: -732.159749 where: bonds (distance) C4'-P energy: -163.181 bonds (distance) P-C4' energy: -166.868 flat angles C4'-P-C4' energy: -138.963 flat angles P-C4'-P energy: -99.810 tors. eta vs tors. theta energy: -163.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1948.175842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.175842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.175842 (E_RNA) where: Base-Base interactions energy: -1269.763 where: short stacking energy: -595.637 Base-Backbone interact. energy: -2.516 local terms energy: -675.896790 where: bonds (distance) C4'-P energy: -144.658 bonds (distance) P-C4' energy: -161.376 flat angles C4'-P-C4' energy: -147.477 flat angles P-C4'-P energy: -97.896 tors. eta vs tors. theta energy: -124.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1403.224537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.224537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.224537 (E_RNA) where: Base-Base interactions energy: -880.273 where: short stacking energy: -379.920 Base-Backbone interact. energy: 1.875 local terms energy: -524.826675 where: bonds (distance) C4'-P energy: -125.422 bonds (distance) P-C4' energy: -149.026 flat angles C4'-P-C4' energy: -134.149 flat angles P-C4'-P energy: -80.764 tors. eta vs tors. theta energy: -35.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3422.931830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3422.931830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3422.931830 (E_RNA) where: Base-Base interactions energy: -2436.156 where: short stacking energy: -1066.396 Base-Backbone interact. energy: -5.627 local terms energy: -981.148940 where: bonds (distance) C4'-P energy: -179.308 bonds (distance) P-C4' energy: -180.131 flat angles C4'-P-C4' energy: -215.732 flat angles P-C4'-P energy: -120.342 tors. eta vs tors. theta energy: -285.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3303.195168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.195168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.195168 (E_RNA) where: Base-Base interactions energy: -2348.553 where: short stacking energy: -967.058 Base-Backbone interact. energy: -1.432 local terms energy: -953.209993 where: bonds (distance) C4'-P energy: -180.830 bonds (distance) P-C4' energy: -169.476 flat angles C4'-P-C4' energy: -213.801 flat angles P-C4'-P energy: -119.436 tors. eta vs tors. theta energy: -269.667 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: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -3120.445717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.445717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.445717 (E_RNA) where: Base-Base interactions energy: -2165.379 where: short stacking energy: -901.579 Base-Backbone interact. energy: -1.071 local terms energy: -953.995748 where: bonds (distance) C4'-P energy: -184.733 bonds (distance) P-C4' energy: -176.632 flat angles C4'-P-C4' energy: -214.345 flat angles P-C4'-P energy: -141.103 tors. eta vs tors. theta energy: -237.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -3018.877566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.877566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.877566 (E_RNA) where: Base-Base interactions energy: -2154.219 where: short stacking energy: -894.676 Base-Backbone interact. energy: -5.029 local terms energy: -859.629317 where: bonds (distance) C4'-P energy: -154.478 bonds (distance) P-C4' energy: -170.882 flat angles C4'-P-C4' energy: -186.118 flat angles P-C4'-P energy: -129.100 tors. eta vs tors. theta energy: -219.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2953.020495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.020495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.020495 (E_RNA) where: Base-Base interactions energy: -2128.118 where: short stacking energy: -870.647 Base-Backbone interact. energy: 1.088 local terms energy: -825.990709 where: bonds (distance) C4'-P energy: -140.010 bonds (distance) P-C4' energy: -172.747 flat angles C4'-P-C4' energy: -181.815 flat angles P-C4'-P energy: -112.411 tors. eta vs tors. theta energy: -219.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2759.364466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.364466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.364466 (E_RNA) where: Base-Base interactions energy: -1941.561 where: short stacking energy: -810.476 Base-Backbone interact. energy: -1.512 local terms energy: -816.291559 where: bonds (distance) C4'-P energy: -156.745 bonds (distance) P-C4' energy: -163.852 flat angles C4'-P-C4' energy: -183.400 flat angles P-C4'-P energy: -115.748 tors. eta vs tors. theta energy: -196.547 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: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2470.888671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.888671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.888671 (E_RNA) where: Base-Base interactions energy: -1701.293 where: short stacking energy: -738.005 Base-Backbone interact. energy: 2.874 local terms energy: -772.469888 where: bonds (distance) C4'-P energy: -132.454 bonds (distance) P-C4' energy: -168.357 flat angles C4'-P-C4' energy: -182.256 flat angles P-C4'-P energy: -108.602 tors. eta vs tors. theta energy: -180.801 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: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -2147.755968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.755968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.755968 (E_RNA) where: Base-Base interactions energy: -1433.217 where: short stacking energy: -645.518 Base-Backbone interact. energy: -0.717 local terms energy: -713.822923 where: bonds (distance) C4'-P energy: -149.540 bonds (distance) P-C4' energy: -163.388 flat angles C4'-P-C4' energy: -174.974 flat angles P-C4'-P energy: -81.214 tors. eta vs tors. theta energy: -144.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1935.080368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.080368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.080368 (E_RNA) where: Base-Base interactions energy: -1285.646 where: short stacking energy: -568.190 Base-Backbone interact. energy: -2.144 local terms energy: -647.290172 where: bonds (distance) C4'-P energy: -150.592 bonds (distance) P-C4' energy: -143.636 flat angles C4'-P-C4' energy: -136.835 flat angles P-C4'-P energy: -102.133 tors. eta vs tors. theta energy: -114.095 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: 10 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1417.966617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.966617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.966617 (E_RNA) where: Base-Base interactions energy: -880.179 where: short stacking energy: -424.748 Base-Backbone interact. energy: 1.951 local terms energy: -539.738825 where: bonds (distance) C4'-P energy: -129.154 bonds (distance) P-C4' energy: -156.046 flat angles C4'-P-C4' energy: -139.062 flat angles P-C4'-P energy: -80.075 tors. eta vs tors. theta energy: -35.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3415.428409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3415.428409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3415.428409 (E_RNA) where: Base-Base interactions energy: -2418.749 where: short stacking energy: -1062.763 Base-Backbone interact. energy: -5.538 local terms energy: -991.140894 where: bonds (distance) C4'-P energy: -173.820 bonds (distance) P-C4' energy: -177.518 flat angles C4'-P-C4' energy: -217.555 flat angles P-C4'-P energy: -139.121 tors. eta vs tors. theta energy: -283.127 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: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3303.264532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.264532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.264532 (E_RNA) where: Base-Base interactions energy: -2355.460 where: short stacking energy: -953.789 Base-Backbone interact. energy: 0.563 local terms energy: -948.367990 where: bonds (distance) C4'-P energy: -177.297 bonds (distance) P-C4' energy: -180.455 flat angles C4'-P-C4' energy: -200.782 flat angles P-C4'-P energy: -127.946 tors. eta vs tors. theta energy: -261.887 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: 4 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -3098.509977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.509977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.509977 (E_RNA) where: Base-Base interactions energy: -2181.731 where: short stacking energy: -906.345 Base-Backbone interact. energy: -4.376 local terms energy: -912.403345 where: bonds (distance) C4'-P energy: -174.621 bonds (distance) P-C4' energy: -185.570 flat angles C4'-P-C4' energy: -193.170 flat angles P-C4'-P energy: -116.090 tors. eta vs tors. theta energy: -242.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -3048.413245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.413245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.413245 (E_RNA) where: Base-Base interactions energy: -2150.566 where: short stacking energy: -920.453 Base-Backbone interact. energy: -4.957 local terms energy: -892.889875 where: bonds (distance) C4'-P energy: -164.511 bonds (distance) P-C4' energy: -156.394 flat angles C4'-P-C4' energy: -212.274 flat angles P-C4'-P energy: -122.848 tors. eta vs tors. theta energy: -236.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2936.260683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.260683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.260683 (E_RNA) where: Base-Base interactions energy: -2102.732 where: short stacking energy: -863.361 Base-Backbone interact. energy: 1.667 local terms energy: -835.195495 where: bonds (distance) C4'-P energy: -179.197 bonds (distance) P-C4' energy: -162.579 flat angles C4'-P-C4' energy: -181.947 flat angles P-C4'-P energy: -95.976 tors. eta vs tors. theta energy: -215.497 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: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2774.957893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.957893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.957893 (E_RNA) where: Base-Base interactions energy: -1954.352 where: short stacking energy: -824.216 Base-Backbone interact. energy: 0.224 local terms energy: -820.829670 where: bonds (distance) C4'-P energy: -138.211 bonds (distance) P-C4' energy: -171.413 flat angles C4'-P-C4' energy: -178.227 flat angles P-C4'-P energy: -133.061 tors. eta vs tors. theta energy: -199.917 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: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2434.287591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2434.287591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2434.287591 (E_RNA) where: Base-Base interactions energy: -1666.331 where: short stacking energy: -752.072 Base-Backbone interact. energy: 0.589 local terms energy: -768.545531 where: bonds (distance) C4'-P energy: -155.074 bonds (distance) P-C4' energy: -154.530 flat angles C4'-P-C4' energy: -172.628 flat angles P-C4'-P energy: -102.135 tors. eta vs tors. theta energy: -184.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2163.055737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.055737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.055737 (E_RNA) where: Base-Base interactions energy: -1470.351 where: short stacking energy: -670.345 Base-Backbone interact. energy: 2.645 local terms energy: -695.349731 where: bonds (distance) C4'-P energy: -126.486 bonds (distance) P-C4' energy: -154.142 flat angles C4'-P-C4' energy: -151.244 flat angles P-C4'-P energy: -107.369 tors. eta vs tors. theta energy: -156.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1956.325231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.325231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.325231 (E_RNA) where: Base-Base interactions energy: -1288.987 where: short stacking energy: -573.754 Base-Backbone interact. energy: 1.009 local terms energy: -668.347322 where: bonds (distance) C4'-P energy: -137.070 bonds (distance) P-C4' energy: -143.240 flat angles C4'-P-C4' energy: -171.687 flat angles P-C4'-P energy: -84.063 tors. eta vs tors. theta energy: -132.286 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: 317 Temperature: 1.350000 Total energy: -1382.240775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.240775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.240775 (E_RNA) where: Base-Base interactions energy: -806.270 where: short stacking energy: -392.017 Base-Backbone interact. energy: -0.259 local terms energy: -575.711276 where: bonds (distance) C4'-P energy: -149.463 bonds (distance) P-C4' energy: -149.067 flat angles C4'-P-C4' energy: -141.891 flat angles P-C4'-P energy: -92.588 tors. eta vs tors. theta energy: -42.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3424.328274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3424.328274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3424.328274 (E_RNA) where: Base-Base interactions energy: -2430.390 where: short stacking energy: -1037.621 Base-Backbone interact. energy: -1.020 local terms energy: -992.918502 where: bonds (distance) C4'-P energy: -171.357 bonds (distance) P-C4' energy: -173.475 flat angles C4'-P-C4' energy: -218.427 flat angles P-C4'-P energy: -139.038 tors. eta vs tors. theta energy: -290.622 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: 6 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3274.244982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.244982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.244982 (E_RNA) where: Base-Base interactions energy: -2307.648 where: short stacking energy: -935.499 Base-Backbone interact. energy: -3.574 local terms energy: -963.022561 where: bonds (distance) C4'-P energy: -167.377 bonds (distance) P-C4' energy: -196.664 flat angles C4'-P-C4' energy: -197.288 flat angles P-C4'-P energy: -152.864 tors. eta vs tors. theta energy: -248.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -3097.710579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.710579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.710579 (E_RNA) where: Base-Base interactions energy: -2175.670 where: short stacking energy: -900.312 Base-Backbone interact. energy: -1.508 local terms energy: -920.532239 where: bonds (distance) C4'-P energy: -160.530 bonds (distance) P-C4' energy: -183.023 flat angles C4'-P-C4' energy: -199.311 flat angles P-C4'-P energy: -137.101 tors. eta vs tors. theta energy: -240.567 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: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -3033.760586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.760586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.760586 (E_RNA) where: Base-Base interactions energy: -2152.732 where: short stacking energy: -890.830 Base-Backbone interact. energy: -3.359 local terms energy: -877.669736 where: bonds (distance) C4'-P energy: -166.980 bonds (distance) P-C4' energy: -184.886 flat angles C4'-P-C4' energy: -188.918 flat angles P-C4'-P energy: -117.679 tors. eta vs tors. theta energy: -219.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2940.394930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.394930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.394930 (E_RNA) where: Base-Base interactions energy: -2116.740 where: short stacking energy: -883.908 Base-Backbone interact. energy: -0.195 local terms energy: -823.460755 where: bonds (distance) C4'-P energy: -146.630 bonds (distance) P-C4' energy: -149.427 flat angles C4'-P-C4' energy: -189.570 flat angles P-C4'-P energy: -111.437 tors. eta vs tors. theta energy: -226.396 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: 318 Temperature: 1.150000 Total energy: -2777.804946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.804946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.804946 (E_RNA) where: Base-Base interactions energy: -1968.038 where: short stacking energy: -827.314 Base-Backbone interact. energy: -2.588 local terms energy: -807.178578 where: bonds (distance) C4'-P energy: -150.127 bonds (distance) P-C4' energy: -151.135 flat angles C4'-P-C4' energy: -191.572 flat angles P-C4'-P energy: -111.842 tors. eta vs tors. theta energy: -202.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2446.381862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.381862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.381862 (E_RNA) where: Base-Base interactions energy: -1657.553 where: short stacking energy: -746.135 Base-Backbone interact. energy: 6.417 local terms energy: -795.246619 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -148.415 flat angles C4'-P-C4' energy: -183.889 flat angles P-C4'-P energy: -123.832 tors. eta vs tors. theta energy: -187.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2144.402637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2144.402637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2144.402637 (E_RNA) where: Base-Base interactions energy: -1457.446 where: short stacking energy: -659.299 Base-Backbone interact. energy: 0.731 local terms energy: -687.688346 where: bonds (distance) C4'-P energy: -144.033 bonds (distance) P-C4' energy: -153.921 flat angles C4'-P-C4' energy: -160.028 flat angles P-C4'-P energy: -97.234 tors. eta vs tors. theta energy: -132.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1947.257236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.257236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.257236 (E_RNA) where: Base-Base interactions energy: -1262.219 where: short stacking energy: -563.579 Base-Backbone interact. energy: -0.475 local terms energy: -684.563392 where: bonds (distance) C4'-P energy: -163.192 bonds (distance) P-C4' energy: -157.827 flat angles C4'-P-C4' energy: -150.460 flat angles P-C4'-P energy: -98.390 tors. eta vs tors. theta energy: -114.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1475.768050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.768050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.768050 (E_RNA) where: Base-Base interactions energy: -924.575 where: short stacking energy: -423.688 Base-Backbone interact. energy: -2.546 local terms energy: -548.647023 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -142.356 flat angles P-C4'-P energy: -64.909 tors. eta vs tors. theta energy: -64.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3426.471125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3426.471125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3426.471125 (E_RNA) where: Base-Base interactions energy: -2424.035 where: short stacking energy: -1036.010 Base-Backbone interact. energy: -6.865 local terms energy: -995.571708 where: bonds (distance) C4'-P energy: -172.903 bonds (distance) P-C4' energy: -184.425 flat angles C4'-P-C4' energy: -208.488 flat angles P-C4'-P energy: -144.041 tors. eta vs tors. theta energy: -285.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3296.851000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.851000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.851000 (E_RNA) where: Base-Base interactions energy: -2337.207 where: short stacking energy: -943.628 Base-Backbone interact. energy: -2.212 local terms energy: -957.432225 where: bonds (distance) C4'-P energy: -175.276 bonds (distance) P-C4' energy: -196.413 flat angles C4'-P-C4' energy: -210.651 flat angles P-C4'-P energy: -130.897 tors. eta vs tors. theta energy: -244.195 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: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -3132.335809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.335809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.335809 (E_RNA) where: Base-Base interactions energy: -2201.318 where: short stacking energy: -933.191 Base-Backbone interact. energy: -1.823 local terms energy: -929.195563 where: bonds (distance) C4'-P energy: -183.884 bonds (distance) P-C4' energy: -175.319 flat angles C4'-P-C4' energy: -195.788 flat angles P-C4'-P energy: -128.940 tors. eta vs tors. theta energy: -245.264 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: 319 Temperature: 1.050000 Total energy: -3035.431893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.431893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.431893 (E_RNA) where: Base-Base interactions energy: -2135.908 where: short stacking energy: -885.406 Base-Backbone interact. energy: -2.414 local terms energy: -897.110308 where: bonds (distance) C4'-P energy: -153.943 bonds (distance) P-C4' energy: -181.380 flat angles C4'-P-C4' energy: -205.021 flat angles P-C4'-P energy: -111.779 tors. eta vs tors. theta energy: -244.987 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: 319 Temperature: 1.100000 Total energy: -2963.066011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.066011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.066011 (E_RNA) where: Base-Base interactions energy: -2113.395 where: short stacking energy: -892.016 Base-Backbone interact. energy: -2.910 local terms energy: -846.760948 where: bonds (distance) C4'-P energy: -149.265 bonds (distance) P-C4' energy: -165.576 flat angles C4'-P-C4' energy: -167.803 flat angles P-C4'-P energy: -129.588 tors. eta vs tors. theta energy: -234.529 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: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2740.056574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.056574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.056574 (E_RNA) where: Base-Base interactions energy: -1914.735 where: short stacking energy: -843.339 Base-Backbone interact. energy: -2.978 local terms energy: -822.344030 where: bonds (distance) C4'-P energy: -157.413 bonds (distance) P-C4' energy: -134.794 flat angles C4'-P-C4' energy: -177.553 flat angles P-C4'-P energy: -140.078 tors. eta vs tors. theta energy: -212.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2451.520827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.520827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.520827 (E_RNA) where: Base-Base interactions energy: -1695.473 where: short stacking energy: -695.234 Base-Backbone interact. energy: 0.878 local terms energy: -756.925531 where: bonds (distance) C4'-P energy: -158.513 bonds (distance) P-C4' energy: -181.089 flat angles C4'-P-C4' energy: -155.200 flat angles P-C4'-P energy: -96.417 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: 8, replica: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2270.886126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2270.886126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2270.886126 (E_RNA) where: Base-Base interactions energy: -1534.937 where: short stacking energy: -706.390 Base-Backbone interact. energy: 8.251 local terms energy: -744.199708 where: bonds (distance) C4'-P energy: -151.040 bonds (distance) P-C4' energy: -159.339 flat angles C4'-P-C4' energy: -154.255 flat angles P-C4'-P energy: -111.308 tors. eta vs tors. theta energy: -168.257 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: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -2035.959555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.959555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.959555 (E_RNA) where: Base-Base interactions energy: -1363.266 where: short stacking energy: -589.085 Base-Backbone interact. energy: -1.247 local terms energy: -671.447518 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -141.973 flat angles C4'-P-C4' energy: -177.591 flat angles P-C4'-P energy: -95.915 tors. eta vs tors. theta energy: -122.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1458.162625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.162625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.162625 (E_RNA) where: Base-Base interactions energy: -928.956 where: short stacking energy: -443.368 Base-Backbone interact. energy: -0.093 local terms energy: -529.113581 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -142.423 flat angles C4'-P-C4' energy: -135.080 flat angles P-C4'-P energy: -67.142 tors. eta vs tors. theta energy: -51.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3457.279917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.279917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.279917 (E_RNA) where: Base-Base interactions energy: -2439.394 where: short stacking energy: -1053.565 Base-Backbone interact. energy: -4.172 local terms energy: -1013.713750 where: bonds (distance) C4'-P energy: -186.994 bonds (distance) P-C4' energy: -168.534 flat angles C4'-P-C4' energy: -214.102 flat angles P-C4'-P energy: -148.525 tors. eta vs tors. theta energy: -295.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3284.163335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.163335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.163335 (E_RNA) where: Base-Base interactions energy: -2323.308 where: short stacking energy: -948.238 Base-Backbone interact. energy: -6.452 local terms energy: -954.403615 where: bonds (distance) C4'-P energy: -170.399 bonds (distance) P-C4' energy: -178.586 flat angles C4'-P-C4' energy: -206.521 flat angles P-C4'-P energy: -141.030 tors. eta vs tors. theta energy: -257.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -3134.210097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.210097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.210097 (E_RNA) where: Base-Base interactions energy: -2266.511 where: short stacking energy: -918.173 Base-Backbone interact. energy: 2.748 local terms energy: -870.447492 where: bonds (distance) C4'-P energy: -147.414 bonds (distance) P-C4' energy: -164.230 flat angles C4'-P-C4' energy: -180.115 flat angles P-C4'-P energy: -126.747 tors. eta vs tors. theta energy: -251.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -3050.069952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.069952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.069952 (E_RNA) where: Base-Base interactions energy: -2142.635 where: short stacking energy: -867.014 Base-Backbone interact. energy: -3.280 local terms energy: -904.154836 where: bonds (distance) C4'-P energy: -160.773 bonds (distance) P-C4' energy: -170.400 flat angles C4'-P-C4' energy: -191.710 flat angles P-C4'-P energy: -133.292 tors. eta vs tors. theta energy: -247.980 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: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2990.509667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.509667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.509667 (E_RNA) where: Base-Base interactions energy: -2102.039 where: short stacking energy: -870.525 Base-Backbone interact. energy: -1.774 local terms energy: -886.695983 where: bonds (distance) C4'-P energy: -164.394 bonds (distance) P-C4' energy: -178.206 flat angles C4'-P-C4' energy: -197.370 flat angles P-C4'-P energy: -125.524 tors. eta vs tors. theta energy: -221.201 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: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2770.790592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.790592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.790592 (E_RNA) where: Base-Base interactions energy: -1946.325 where: short stacking energy: -817.461 Base-Backbone interact. energy: -1.438 local terms energy: -823.027416 where: bonds (distance) C4'-P energy: -153.036 bonds (distance) P-C4' energy: -142.307 flat angles C4'-P-C4' energy: -194.036 flat angles P-C4'-P energy: -123.163 tors. eta vs tors. theta energy: -210.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2498.451573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.451573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.451573 (E_RNA) where: Base-Base interactions energy: -1739.660 where: short stacking energy: -725.395 Base-Backbone interact. energy: 1.459 local terms energy: -760.249879 where: bonds (distance) C4'-P energy: -151.461 bonds (distance) P-C4' energy: -153.702 flat angles C4'-P-C4' energy: -175.028 flat angles P-C4'-P energy: -107.336 tors. eta vs tors. theta energy: -172.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2303.857203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.857203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.857203 (E_RNA) where: Base-Base interactions energy: -1572.321 where: short stacking energy: -688.477 Base-Backbone interact. energy: -0.898 local terms energy: -730.638365 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -144.849 flat angles C4'-P-C4' energy: -165.543 flat angles P-C4'-P energy: -92.613 tors. eta vs tors. theta energy: -165.245 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: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -2002.864856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.864856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.864856 (E_RNA) where: Base-Base interactions energy: -1342.067 where: short stacking energy: -571.274 Base-Backbone interact. energy: 2.305 local terms energy: -663.102934 where: bonds (distance) C4'-P energy: -134.665 bonds (distance) P-C4' energy: -144.084 flat angles C4'-P-C4' energy: -166.306 flat angles P-C4'-P energy: -88.598 tors. eta vs tors. theta energy: -129.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1446.262841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.262841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.262841 (E_RNA) where: Base-Base interactions energy: -892.700 where: short stacking energy: -418.876 Base-Backbone interact. energy: 2.935 local terms energy: -556.498401 where: bonds (distance) C4'-P energy: -129.726 bonds (distance) P-C4' energy: -151.013 flat angles C4'-P-C4' energy: -152.966 flat angles P-C4'-P energy: -85.390 tors. eta vs tors. theta energy: -37.404 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: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3445.354177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3445.354177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3445.354177 (E_RNA) where: Base-Base interactions energy: -2450.382 where: short stacking energy: -1070.720 Base-Backbone interact. energy: 0.069 local terms energy: -995.040552 where: bonds (distance) C4'-P energy: -174.600 bonds (distance) P-C4' energy: -188.976 flat angles C4'-P-C4' energy: -216.911 flat angles P-C4'-P energy: -129.931 tors. eta vs tors. theta energy: -284.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -3296.661985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.661985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.661985 (E_RNA) where: Base-Base interactions energy: -2324.596 where: short stacking energy: -967.945 Base-Backbone interact. energy: -5.157 local terms energy: -966.909900 where: bonds (distance) C4'-P energy: -174.944 bonds (distance) P-C4' energy: -178.339 flat angles C4'-P-C4' energy: -215.264 flat angles P-C4'-P energy: -133.530 tors. eta vs tors. theta energy: -264.833 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: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -3178.322805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.322805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.322805 (E_RNA) where: Base-Base interactions energy: -2272.951 where: short stacking energy: -908.577 Base-Backbone interact. energy: 0.703 local terms energy: -906.075353 where: bonds (distance) C4'-P energy: -165.722 bonds (distance) P-C4' energy: -172.522 flat angles C4'-P-C4' energy: -206.419 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -251.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -3009.998785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.998785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.998785 (E_RNA) where: Base-Base interactions energy: -2127.686 where: short stacking energy: -921.233 Base-Backbone interact. energy: -4.357 local terms energy: -877.956072 where: bonds (distance) C4'-P energy: -166.303 bonds (distance) P-C4' energy: -152.477 flat angles C4'-P-C4' energy: -201.871 flat angles P-C4'-P energy: -115.414 tors. eta vs tors. theta energy: -241.891 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: 321 Temperature: 1.100000 Total energy: -2959.387481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.387481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.387481 (E_RNA) where: Base-Base interactions energy: -2104.672 where: short stacking energy: -871.618 Base-Backbone interact. energy: 0.264 local terms energy: -854.980404 where: bonds (distance) C4'-P energy: -160.163 bonds (distance) P-C4' energy: -165.676 flat angles C4'-P-C4' energy: -183.463 flat angles P-C4'-P energy: -113.342 tors. eta vs tors. theta energy: -232.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2727.022322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.022322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.022322 (E_RNA) where: Base-Base interactions energy: -1901.260 where: short stacking energy: -809.916 Base-Backbone interact. energy: -0.397 local terms energy: -825.365468 where: bonds (distance) C4'-P energy: -144.422 bonds (distance) P-C4' energy: -175.181 flat angles C4'-P-C4' energy: -194.742 flat angles P-C4'-P energy: -111.512 tors. eta vs tors. theta energy: -199.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2534.172310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.172310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.172310 (E_RNA) where: Base-Base interactions energy: -1758.764 where: short stacking energy: -743.935 Base-Backbone interact. energy: -3.560 local terms energy: -771.848483 where: bonds (distance) C4'-P energy: -161.399 bonds (distance) P-C4' energy: -145.876 flat angles C4'-P-C4' energy: -171.449 flat angles P-C4'-P energy: -103.998 tors. eta vs tors. theta energy: -189.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2324.742353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.742353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.742353 (E_RNA) where: Base-Base interactions energy: -1575.072 where: short stacking energy: -695.471 Base-Backbone interact. energy: -4.048 local terms energy: -745.622139 where: bonds (distance) C4'-P energy: -148.050 bonds (distance) P-C4' energy: -173.149 flat angles C4'-P-C4' energy: -162.578 flat angles P-C4'-P energy: -101.548 tors. eta vs tors. theta energy: -160.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -2027.389980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.389980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.389980 (E_RNA) where: Base-Base interactions energy: -1384.880 where: short stacking energy: -602.915 Base-Backbone interact. energy: 3.804 local terms energy: -646.313847 where: bonds (distance) C4'-P energy: -128.130 bonds (distance) P-C4' energy: -152.722 flat angles C4'-P-C4' energy: -147.427 flat angles P-C4'-P energy: -93.428 tors. eta vs tors. theta energy: -124.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1426.212066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.212066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.212066 (E_RNA) where: Base-Base interactions energy: -861.876 where: short stacking energy: -433.800 Base-Backbone interact. energy: 4.484 local terms energy: -568.819494 where: bonds (distance) C4'-P energy: -146.068 bonds (distance) P-C4' energy: -145.476 flat angles C4'-P-C4' energy: -138.319 flat angles P-C4'-P energy: -76.862 tors. eta vs tors. theta energy: -62.094 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: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3461.766877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.766877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.766877 (E_RNA) where: Base-Base interactions energy: -2444.830 where: short stacking energy: -1067.213 Base-Backbone interact. energy: -6.118 local terms energy: -1010.818884 where: bonds (distance) C4'-P energy: -187.294 bonds (distance) P-C4' energy: -178.670 flat angles C4'-P-C4' energy: -206.964 flat angles P-C4'-P energy: -137.648 tors. eta vs tors. theta energy: -300.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3256.365043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.365043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.365043 (E_RNA) where: Base-Base interactions energy: -2287.083 where: short stacking energy: -947.629 Base-Backbone interact. energy: -2.033 local terms energy: -967.249506 where: bonds (distance) C4'-P energy: -189.047 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -209.899 flat angles P-C4'-P energy: -146.128 tors. eta vs tors. theta energy: -247.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -3161.471457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.471457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.471457 (E_RNA) where: Base-Base interactions energy: -2235.902 where: short stacking energy: -912.747 Base-Backbone interact. energy: 0.224 local terms energy: -925.793645 where: bonds (distance) C4'-P energy: -174.780 bonds (distance) P-C4' energy: -186.091 flat angles C4'-P-C4' energy: -193.078 flat angles P-C4'-P energy: -124.547 tors. eta vs tors. theta energy: -247.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -3023.450500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.450500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.450500 (E_RNA) where: Base-Base interactions energy: -2139.736 where: short stacking energy: -933.991 Base-Backbone interact. energy: 0.593 local terms energy: -884.307941 where: bonds (distance) C4'-P energy: -182.591 bonds (distance) P-C4' energy: -158.922 flat angles C4'-P-C4' energy: -196.675 flat angles P-C4'-P energy: -107.194 tors. eta vs tors. theta energy: -238.926 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: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2888.711625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.711625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.711625 (E_RNA) where: Base-Base interactions energy: -2041.320 where: short stacking energy: -860.950 Base-Backbone interact. energy: 0.516 local terms energy: -847.908211 where: bonds (distance) C4'-P energy: -160.866 bonds (distance) P-C4' energy: -175.363 flat angles C4'-P-C4' energy: -164.888 flat angles P-C4'-P energy: -126.532 tors. eta vs tors. theta energy: -220.260 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: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2785.135767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.135767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.135767 (E_RNA) where: Base-Base interactions energy: -1959.483 where: short stacking energy: -827.314 Base-Backbone interact. energy: 2.226 local terms energy: -827.878675 where: bonds (distance) C4'-P energy: -154.639 bonds (distance) P-C4' energy: -163.657 flat angles C4'-P-C4' energy: -186.520 flat angles P-C4'-P energy: -118.416 tors. eta vs tors. theta energy: -204.647 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: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2538.390979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.390979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.390979 (E_RNA) where: Base-Base interactions energy: -1756.679 where: short stacking energy: -701.609 Base-Backbone interact. energy: -1.084 local terms energy: -780.627779 where: bonds (distance) C4'-P energy: -143.884 bonds (distance) P-C4' energy: -164.135 flat angles C4'-P-C4' energy: -188.276 flat angles P-C4'-P energy: -103.726 tors. eta vs tors. theta energy: -180.606 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: 8 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2300.810469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.810469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.810469 (E_RNA) where: Base-Base interactions energy: -1571.743 where: short stacking energy: -704.721 Base-Backbone interact. energy: -1.125 local terms energy: -727.942994 where: bonds (distance) C4'-P energy: -132.409 bonds (distance) P-C4' energy: -155.337 flat angles C4'-P-C4' energy: -173.864 flat angles P-C4'-P energy: -101.977 tors. eta vs tors. theta energy: -164.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -2040.144566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.144566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.144566 (E_RNA) where: Base-Base interactions energy: -1370.283 where: short stacking energy: -608.106 Base-Backbone interact. energy: 1.438 local terms energy: -671.300155 where: bonds (distance) C4'-P energy: -131.435 bonds (distance) P-C4' energy: -129.871 flat angles C4'-P-C4' energy: -168.792 flat angles P-C4'-P energy: -105.556 tors. eta vs tors. theta energy: -135.646 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: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1513.845323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.845323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.845323 (E_RNA) where: Base-Base interactions energy: -958.225 where: short stacking energy: -445.249 Base-Backbone interact. energy: 0.563 local terms energy: -556.183473 where: bonds (distance) C4'-P energy: -127.247 bonds (distance) P-C4' energy: -166.328 flat angles C4'-P-C4' energy: -115.645 flat angles P-C4'-P energy: -92.378 tors. eta vs tors. theta energy: -54.585 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: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3479.581571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.581571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.581571 (E_RNA) where: Base-Base interactions energy: -2455.015 where: short stacking energy: -1049.145 Base-Backbone interact. energy: -9.402 local terms energy: -1015.164745 where: bonds (distance) C4'-P energy: -170.768 bonds (distance) P-C4' energy: -191.082 flat angles C4'-P-C4' energy: -214.656 flat angles P-C4'-P energy: -141.328 tors. eta vs tors. theta energy: -297.331 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3260.261126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.261126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.261126 (E_RNA) where: Base-Base interactions energy: -2306.450 where: short stacking energy: -952.776 Base-Backbone interact. energy: -2.270 local terms energy: -951.541105 where: bonds (distance) C4'-P energy: -167.973 bonds (distance) P-C4' energy: -194.587 flat angles C4'-P-C4' energy: -207.476 flat angles P-C4'-P energy: -134.284 tors. eta vs tors. theta energy: -247.220 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: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -3155.810797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.810797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.810797 (E_RNA) where: Base-Base interactions energy: -2261.877 where: short stacking energy: -934.742 Base-Backbone interact. energy: -1.521 local terms energy: -892.412434 where: bonds (distance) C4'-P energy: -166.858 bonds (distance) P-C4' energy: -170.735 flat angles C4'-P-C4' energy: -191.332 flat angles P-C4'-P energy: -117.147 tors. eta vs tors. theta energy: -246.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -3026.542853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.542853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.542853 (E_RNA) where: Base-Base interactions energy: -2132.387 where: short stacking energy: -883.964 Base-Backbone interact. energy: -1.137 local terms energy: -893.018560 where: bonds (distance) C4'-P energy: -172.723 bonds (distance) P-C4' energy: -156.597 flat angles C4'-P-C4' energy: -206.901 flat angles P-C4'-P energy: -129.912 tors. eta vs tors. theta energy: -226.885 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: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2946.461119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.461119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.461119 (E_RNA) where: Base-Base interactions energy: -2066.927 where: short stacking energy: -862.099 Base-Backbone interact. energy: -6.608 local terms energy: -872.925586 where: bonds (distance) C4'-P energy: -168.643 bonds (distance) P-C4' energy: -155.328 flat angles C4'-P-C4' energy: -208.874 flat angles P-C4'-P energy: -116.271 tors. eta vs tors. theta energy: -223.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2780.783136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.783136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.783136 (E_RNA) where: Base-Base interactions energy: -1956.028 where: short stacking energy: -826.589 Base-Backbone interact. energy: -4.521 local terms energy: -820.234182 where: bonds (distance) C4'-P energy: -160.600 bonds (distance) P-C4' energy: -143.831 flat angles C4'-P-C4' energy: -179.019 flat angles P-C4'-P energy: -118.079 tors. eta vs tors. theta energy: -218.706 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: 1 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2592.351139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.351139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.351139 (E_RNA) where: Base-Base interactions energy: -1806.917 where: short stacking energy: -786.202 Base-Backbone interact. energy: -3.775 local terms energy: -781.658687 where: bonds (distance) C4'-P energy: -149.836 bonds (distance) P-C4' energy: -148.418 flat angles C4'-P-C4' energy: -181.272 flat angles P-C4'-P energy: -109.335 tors. eta vs tors. theta energy: -192.798 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: 8 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -2283.167443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.167443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.167443 (E_RNA) where: Base-Base interactions energy: -1572.690 where: short stacking energy: -641.492 Base-Backbone interact. energy: 0.454 local terms energy: -710.931607 where: bonds (distance) C4'-P energy: -144.566 bonds (distance) P-C4' energy: -147.416 flat angles C4'-P-C4' energy: -162.770 flat angles P-C4'-P energy: -111.183 tors. eta vs tors. theta energy: -144.996 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: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1873.818048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.818048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.818048 (E_RNA) where: Base-Base interactions energy: -1292.752 where: short stacking energy: -587.949 Base-Backbone interact. energy: 3.204 local terms energy: -584.270623 where: bonds (distance) C4'-P energy: -121.801 bonds (distance) P-C4' energy: -145.704 flat angles C4'-P-C4' energy: -149.941 flat angles P-C4'-P energy: -71.071 tors. eta vs tors. theta energy: -95.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1468.168337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.168337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.168337 (E_RNA) where: Base-Base interactions energy: -919.454 where: short stacking energy: -448.685 Base-Backbone interact. energy: 0.581 local terms energy: -549.294880 where: bonds (distance) C4'-P energy: -128.478 bonds (distance) P-C4' energy: -141.809 flat angles C4'-P-C4' energy: -146.001 flat angles P-C4'-P energy: -70.820 tors. eta vs tors. theta energy: -62.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3481.684260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.684260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.684260 (E_RNA) where: Base-Base interactions energy: -2445.822 where: short stacking energy: -1039.996 Base-Backbone interact. energy: -8.658 local terms energy: -1027.204215 where: bonds (distance) C4'-P energy: -186.530 bonds (distance) P-C4' energy: -187.161 flat angles C4'-P-C4' energy: -217.603 flat angles P-C4'-P energy: -141.668 tors. eta vs tors. theta energy: -294.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3251.734538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.734538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.734538 (E_RNA) where: Base-Base interactions energy: -2287.001 where: short stacking energy: -929.561 Base-Backbone interact. energy: -2.371 local terms energy: -962.363139 where: bonds (distance) C4'-P energy: -187.479 bonds (distance) P-C4' energy: -185.785 flat angles C4'-P-C4' energy: -200.004 flat angles P-C4'-P energy: -136.621 tors. eta vs tors. theta energy: -252.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -3165.803115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.803115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.803115 (E_RNA) where: Base-Base interactions energy: -2258.813 where: short stacking energy: -928.794 Base-Backbone interact. energy: -1.371 local terms energy: -905.618919 where: bonds (distance) C4'-P energy: -158.535 bonds (distance) P-C4' energy: -166.249 flat angles C4'-P-C4' energy: -201.377 flat angles P-C4'-P energy: -132.611 tors. eta vs tors. theta energy: -246.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -3012.126700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.126700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.126700 (E_RNA) where: Base-Base interactions energy: -2117.322 where: short stacking energy: -863.042 Base-Backbone interact. energy: -6.355 local terms energy: -888.449254 where: bonds (distance) C4'-P energy: -173.392 bonds (distance) P-C4' energy: -158.995 flat angles C4'-P-C4' energy: -203.541 flat angles P-C4'-P energy: -121.455 tors. eta vs tors. theta energy: -231.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2946.699475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.699475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.699475 (E_RNA) where: Base-Base interactions energy: -2105.806 where: short stacking energy: -889.643 Base-Backbone interact. energy: -4.148 local terms energy: -836.745410 where: bonds (distance) C4'-P energy: -144.178 bonds (distance) P-C4' energy: -156.457 flat angles C4'-P-C4' energy: -195.422 flat angles P-C4'-P energy: -115.677 tors. eta vs tors. theta energy: -225.011 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: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2769.708584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.708584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.708584 (E_RNA) where: Base-Base interactions energy: -1947.091 where: short stacking energy: -820.894 Base-Backbone interact. energy: 1.827 local terms energy: -824.444690 where: bonds (distance) C4'-P energy: -147.036 bonds (distance) P-C4' energy: -154.024 flat angles C4'-P-C4' energy: -194.469 flat angles P-C4'-P energy: -113.512 tors. eta vs tors. theta energy: -215.405 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: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2618.167085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.167085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.167085 (E_RNA) where: Base-Base interactions energy: -1843.876 where: short stacking energy: -805.748 Base-Backbone interact. energy: -0.499 local terms energy: -773.792257 where: bonds (distance) C4'-P energy: -144.190 bonds (distance) P-C4' energy: -127.236 flat angles C4'-P-C4' energy: -183.746 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -212.915 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: 8 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -2176.509537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.509537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.509537 (E_RNA) where: Base-Base interactions energy: -1435.630 where: short stacking energy: -631.359 Base-Backbone interact. energy: 0.114 local terms energy: -740.993246 where: bonds (distance) C4'-P energy: -171.033 bonds (distance) P-C4' energy: -136.360 flat angles C4'-P-C4' energy: -156.553 flat angles P-C4'-P energy: -112.246 tors. eta vs tors. theta energy: -164.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1852.092834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.092834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.092834 (E_RNA) where: Base-Base interactions energy: -1195.829 where: short stacking energy: -551.898 Base-Backbone interact. energy: -1.777 local terms energy: -654.486639 where: bonds (distance) C4'-P energy: -164.547 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -145.579 flat angles P-C4'-P energy: -79.946 tors. eta vs tors. theta energy: -105.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1562.701753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.701753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.701753 (E_RNA) where: Base-Base interactions energy: -990.460 where: short stacking energy: -477.894 Base-Backbone interact. energy: 0.409 local terms energy: -572.650274 where: bonds (distance) C4'-P energy: -122.064 bonds (distance) P-C4' energy: -164.034 flat angles C4'-P-C4' energy: -152.967 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -66.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3454.533064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.533064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.533064 (E_RNA) where: Base-Base interactions energy: -2434.295 where: short stacking energy: -1036.351 Base-Backbone interact. energy: -9.070 local terms energy: -1011.168032 where: bonds (distance) C4'-P energy: -176.730 bonds (distance) P-C4' energy: -195.350 flat angles C4'-P-C4' energy: -218.898 flat angles P-C4'-P energy: -137.604 tors. eta vs tors. theta energy: -282.585 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: 6 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3273.271528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.271528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.271528 (E_RNA) where: Base-Base interactions energy: -2333.710 where: short stacking energy: -956.358 Base-Backbone interact. energy: -2.110 local terms energy: -937.451344 where: bonds (distance) C4'-P energy: -173.628 bonds (distance) P-C4' energy: -172.933 flat angles C4'-P-C4' energy: -201.483 flat angles P-C4'-P energy: -135.984 tors. eta vs tors. theta energy: -253.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -3157.000747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.000747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.000747 (E_RNA) where: Base-Base interactions energy: -2231.810 where: short stacking energy: -930.980 Base-Backbone interact. energy: -1.471 local terms energy: -923.719610 where: bonds (distance) C4'-P energy: -174.010 bonds (distance) P-C4' energy: -181.167 flat angles C4'-P-C4' energy: -197.674 flat angles P-C4'-P energy: -137.606 tors. eta vs tors. theta energy: -233.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -3036.722517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.722517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.722517 (E_RNA) where: Base-Base interactions energy: -2126.235 where: short stacking energy: -869.940 Base-Backbone interact. energy: -4.823 local terms energy: -905.665131 where: bonds (distance) C4'-P energy: -170.758 bonds (distance) P-C4' energy: -181.879 flat angles C4'-P-C4' energy: -202.893 flat angles P-C4'-P energy: -126.722 tors. eta vs tors. theta energy: -223.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2912.130486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.130486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.130486 (E_RNA) where: Base-Base interactions energy: -2044.081 where: short stacking energy: -865.755 Base-Backbone interact. energy: 11.810 local terms energy: -879.859969 where: bonds (distance) C4'-P energy: -166.380 bonds (distance) P-C4' energy: -174.546 flat angles C4'-P-C4' energy: -182.121 flat angles P-C4'-P energy: -117.988 tors. eta vs tors. theta energy: -238.825 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: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2813.211252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.211252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.211252 (E_RNA) where: Base-Base interactions energy: -1956.003 where: short stacking energy: -829.179 Base-Backbone interact. energy: -2.095 local terms energy: -855.113132 where: bonds (distance) C4'-P energy: -174.115 bonds (distance) P-C4' energy: -172.305 flat angles C4'-P-C4' energy: -171.196 flat angles P-C4'-P energy: -117.987 tors. eta vs tors. theta energy: -219.510 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: 1 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2569.413508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.413508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.413508 (E_RNA) where: Base-Base interactions energy: -1730.927 where: short stacking energy: -762.052 Base-Backbone interact. energy: -3.751 local terms energy: -834.735683 where: bonds (distance) C4'-P energy: -146.370 bonds (distance) P-C4' energy: -177.015 flat angles C4'-P-C4' energy: -176.295 flat angles P-C4'-P energy: -118.841 tors. eta vs tors. theta energy: -216.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -2225.704039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.704039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.704039 (E_RNA) where: Base-Base interactions energy: -1521.180 where: short stacking energy: -627.898 Base-Backbone interact. energy: -0.354 local terms energy: -704.169615 where: bonds (distance) C4'-P energy: -144.753 bonds (distance) P-C4' energy: -160.665 flat angles C4'-P-C4' energy: -167.265 flat angles P-C4'-P energy: -108.054 tors. eta vs tors. theta energy: -123.432 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: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1889.117637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.117637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.117637 (E_RNA) where: Base-Base interactions energy: -1225.941 where: short stacking energy: -537.279 Base-Backbone interact. energy: 1.137 local terms energy: -664.313616 where: bonds (distance) C4'-P energy: -144.094 bonds (distance) P-C4' energy: -177.872 flat angles C4'-P-C4' energy: -147.694 flat angles P-C4'-P energy: -87.124 tors. eta vs tors. theta energy: -107.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1534.195936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.195936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.195936 (E_RNA) where: Base-Base interactions energy: -983.130 where: short stacking energy: -449.064 Base-Backbone interact. energy: -1.718 local terms energy: -549.348662 where: bonds (distance) C4'-P energy: -131.521 bonds (distance) P-C4' energy: -153.046 flat angles C4'-P-C4' energy: -138.259 flat angles P-C4'-P energy: -76.141 tors. eta vs tors. theta energy: -50.383 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: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3421.261556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3421.261556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3421.261556 (E_RNA) where: Base-Base interactions energy: -2433.267 where: short stacking energy: -1024.223 Base-Backbone interact. energy: -2.956 local terms energy: -985.038562 where: bonds (distance) C4'-P energy: -175.113 bonds (distance) P-C4' energy: -192.024 flat angles C4'-P-C4' energy: -200.812 flat angles P-C4'-P energy: -132.535 tors. eta vs tors. theta energy: -284.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3260.944402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.944402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.944402 (E_RNA) where: Base-Base interactions energy: -2296.633 where: short stacking energy: -947.260 Base-Backbone interact. energy: -4.614 local terms energy: -959.697865 where: bonds (distance) C4'-P energy: -174.848 bonds (distance) P-C4' energy: -190.437 flat angles C4'-P-C4' energy: -206.242 flat angles P-C4'-P energy: -127.702 tors. eta vs tors. theta energy: -260.468 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: 326 Temperature: 1.000000 Total energy: -3102.808773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.808773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.808773 (E_RNA) where: Base-Base interactions energy: -2229.072 where: short stacking energy: -914.385 Base-Backbone interact. energy: -2.376 local terms energy: -871.361031 where: bonds (distance) C4'-P energy: -174.969 bonds (distance) P-C4' energy: -137.155 flat angles C4'-P-C4' energy: -197.623 flat angles P-C4'-P energy: -117.637 tors. eta vs tors. theta energy: -243.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -3023.984167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.984167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.984167 (E_RNA) where: Base-Base interactions energy: -2149.552 where: short stacking energy: -879.235 Base-Backbone interact. energy: -6.864 local terms energy: -867.568180 where: bonds (distance) C4'-P energy: -150.346 bonds (distance) P-C4' energy: -175.729 flat angles C4'-P-C4' energy: -196.205 flat angles P-C4'-P energy: -129.546 tors. eta vs tors. theta energy: -215.742 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: 326 Temperature: 1.100000 Total energy: -2858.020908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.020908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.020908 (E_RNA) where: Base-Base interactions energy: -2020.546 where: short stacking energy: -848.501 Base-Backbone interact. energy: -2.743 local terms energy: -834.732244 where: bonds (distance) C4'-P energy: -154.544 bonds (distance) P-C4' energy: -170.615 flat angles C4'-P-C4' energy: -198.742 flat angles P-C4'-P energy: -110.638 tors. eta vs tors. theta energy: -200.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2794.601950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.601950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.601950 (E_RNA) where: Base-Base interactions energy: -1962.380 where: short stacking energy: -849.525 Base-Backbone interact. energy: 1.594 local terms energy: -833.815372 where: bonds (distance) C4'-P energy: -149.025 bonds (distance) P-C4' energy: -148.110 flat angles C4'-P-C4' energy: -184.481 flat angles P-C4'-P energy: -111.167 tors. eta vs tors. theta energy: -241.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2573.415095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.415095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.415095 (E_RNA) where: Base-Base interactions energy: -1755.613 where: short stacking energy: -763.191 Base-Backbone interact. energy: -1.780 local terms energy: -816.021826 where: bonds (distance) C4'-P energy: -147.722 bonds (distance) P-C4' energy: -165.680 flat angles C4'-P-C4' energy: -180.676 flat angles P-C4'-P energy: -122.871 tors. eta vs tors. theta energy: -199.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -2229.771714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.771714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.771714 (E_RNA) where: Base-Base interactions energy: -1498.620 where: short stacking energy: -661.298 Base-Backbone interact. energy: -5.588 local terms energy: -725.563486 where: bonds (distance) C4'-P energy: -153.319 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -167.326 flat angles P-C4'-P energy: -91.923 tors. eta vs tors. theta energy: -157.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1971.684351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.684351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.684351 (E_RNA) where: Base-Base interactions energy: -1289.060 where: short stacking energy: -561.635 Base-Backbone interact. energy: -4.279 local terms energy: -678.345591 where: bonds (distance) C4'-P energy: -141.382 bonds (distance) P-C4' energy: -155.087 flat angles C4'-P-C4' energy: -156.818 flat angles P-C4'-P energy: -102.958 tors. eta vs tors. theta energy: -122.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1533.374771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.374771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.374771 (E_RNA) where: Base-Base interactions energy: -957.125 where: short stacking energy: -431.754 Base-Backbone interact. energy: -0.683 local terms energy: -575.566468 where: bonds (distance) C4'-P energy: -143.730 bonds (distance) P-C4' energy: -156.440 flat angles C4'-P-C4' energy: -138.537 flat angles P-C4'-P energy: -69.454 tors. eta vs tors. theta energy: -67.404 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: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3459.351798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3459.351798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3459.351798 (E_RNA) where: Base-Base interactions energy: -2455.235 where: short stacking energy: -1060.723 Base-Backbone interact. energy: -2.423 local terms energy: -1001.693659 where: bonds (distance) C4'-P energy: -174.082 bonds (distance) P-C4' energy: -189.047 flat angles C4'-P-C4' energy: -219.207 flat angles P-C4'-P energy: -132.586 tors. eta vs tors. theta energy: -286.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -3265.731815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.731815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.731815 (E_RNA) where: Base-Base interactions energy: -2315.497 where: short stacking energy: -965.155 Base-Backbone interact. energy: -5.673 local terms energy: -944.562157 where: bonds (distance) C4'-P energy: -173.102 bonds (distance) P-C4' energy: -171.590 flat angles C4'-P-C4' energy: -202.989 flat angles P-C4'-P energy: -132.371 tors. eta vs tors. theta energy: -264.511 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: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -3105.431835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.431835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.431835 (E_RNA) where: Base-Base interactions energy: -2192.849 where: short stacking energy: -898.951 Base-Backbone interact. energy: -4.573 local terms energy: -908.009735 where: bonds (distance) C4'-P energy: -178.762 bonds (distance) P-C4' energy: -173.967 flat angles C4'-P-C4' energy: -191.453 flat angles P-C4'-P energy: -132.758 tors. eta vs tors. theta energy: -231.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -3021.850246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.850246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.850246 (E_RNA) where: Base-Base interactions energy: -2109.444 where: short stacking energy: -865.286 Base-Backbone interact. energy: -2.723 local terms energy: -909.683491 where: bonds (distance) C4'-P energy: -162.629 bonds (distance) P-C4' energy: -170.439 flat angles C4'-P-C4' energy: -204.538 flat angles P-C4'-P energy: -136.175 tors. eta vs tors. theta energy: -235.903 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: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -2914.639630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.639630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.639630 (E_RNA) where: Base-Base interactions energy: -2043.677 where: short stacking energy: -861.383 Base-Backbone interact. energy: -3.151 local terms energy: -867.812164 where: bonds (distance) C4'-P energy: -153.288 bonds (distance) P-C4' energy: -163.706 flat angles C4'-P-C4' energy: -196.402 flat angles P-C4'-P energy: -132.068 tors. eta vs tors. theta energy: -222.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -2787.965559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.965559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.965559 (E_RNA) where: Base-Base interactions energy: -1974.508 where: short stacking energy: -847.362 Base-Backbone interact. energy: -2.201 local terms energy: -811.256087 where: bonds (distance) C4'-P energy: -133.980 bonds (distance) P-C4' energy: -167.652 flat angles C4'-P-C4' energy: -177.715 flat angles P-C4'-P energy: -104.484 tors. eta vs tors. theta energy: -227.425 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: 1 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2498.286628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.286628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.286628 (E_RNA) where: Base-Base interactions energy: -1761.963 where: short stacking energy: -750.478 Base-Backbone interact. energy: -1.112 local terms energy: -735.211961 where: bonds (distance) C4'-P energy: -141.630 bonds (distance) P-C4' energy: -152.112 flat angles C4'-P-C4' energy: -163.111 flat angles P-C4'-P energy: -96.011 tors. eta vs tors. theta energy: -182.348 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: 8 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -2179.662903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.662903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.662903 (E_RNA) where: Base-Base interactions energy: -1459.412 where: short stacking energy: -638.710 Base-Backbone interact. energy: -3.404 local terms energy: -716.847607 where: bonds (distance) C4'-P energy: -145.181 bonds (distance) P-C4' energy: -148.219 flat angles C4'-P-C4' energy: -171.061 flat angles P-C4'-P energy: -113.037 tors. eta vs tors. theta energy: -139.349 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: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1968.836657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.836657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.836657 (E_RNA) where: Base-Base interactions energy: -1326.609 where: short stacking energy: -566.379 Base-Backbone interact. energy: 3.054 local terms energy: -645.281437 where: bonds (distance) C4'-P energy: -145.526 bonds (distance) P-C4' energy: -145.176 flat angles C4'-P-C4' energy: -149.317 flat angles P-C4'-P energy: -99.650 tors. eta vs tors. theta energy: -105.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1505.742739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.742739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.742739 (E_RNA) where: Base-Base interactions energy: -948.677 where: short stacking energy: -444.070 Base-Backbone interact. energy: 3.869 local terms energy: -560.934501 where: bonds (distance) C4'-P energy: -149.859 bonds (distance) P-C4' energy: -138.249 flat angles C4'-P-C4' energy: -129.279 flat angles P-C4'-P energy: -84.414 tors. eta vs tors. theta energy: -59.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3458.790947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.790947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.790947 (E_RNA) where: Base-Base interactions energy: -2434.555 where: short stacking energy: -1042.189 Base-Backbone interact. energy: -9.092 local terms energy: -1015.143863 where: bonds (distance) C4'-P energy: -171.927 bonds (distance) P-C4' energy: -195.614 flat angles C4'-P-C4' energy: -203.601 flat angles P-C4'-P energy: -148.644 tors. eta vs tors. theta energy: -295.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3262.376614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.376614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.376614 (E_RNA) where: Base-Base interactions energy: -2322.650 where: short stacking energy: -963.107 Base-Backbone interact. energy: 2.340 local terms energy: -942.066508 where: bonds (distance) C4'-P energy: -168.962 bonds (distance) P-C4' energy: -177.357 flat angles C4'-P-C4' energy: -211.706 flat angles P-C4'-P energy: -131.804 tors. eta vs tors. theta energy: -252.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -3106.321714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.321714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.321714 (E_RNA) where: Base-Base interactions energy: -2209.678 where: short stacking energy: -902.655 Base-Backbone interact. energy: -0.001 local terms energy: -896.642285 where: bonds (distance) C4'-P energy: -165.108 bonds (distance) P-C4' energy: -171.861 flat angles C4'-P-C4' energy: -204.346 flat angles P-C4'-P energy: -126.347 tors. eta vs tors. theta energy: -228.980 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: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -3015.402194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.402194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.402194 (E_RNA) where: Base-Base interactions energy: -2147.106 where: short stacking energy: -885.014 Base-Backbone interact. energy: -0.270 local terms energy: -868.025704 where: bonds (distance) C4'-P energy: -157.054 bonds (distance) P-C4' energy: -180.580 flat angles C4'-P-C4' energy: -189.553 flat angles P-C4'-P energy: -115.510 tors. eta vs tors. theta energy: -225.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2870.748554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.748554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.748554 (E_RNA) where: Base-Base interactions energy: -2052.643 where: short stacking energy: -837.523 Base-Backbone interact. energy: -2.976 local terms energy: -815.128989 where: bonds (distance) C4'-P energy: -154.131 bonds (distance) P-C4' energy: -155.622 flat angles C4'-P-C4' energy: -185.202 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -215.620 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: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -2823.142229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.142229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.142229 (E_RNA) where: Base-Base interactions energy: -1979.588 where: short stacking energy: -842.288 Base-Backbone interact. energy: -2.867 local terms energy: -840.687171 where: bonds (distance) C4'-P energy: -155.490 bonds (distance) P-C4' energy: -143.515 flat angles C4'-P-C4' energy: -187.232 flat angles P-C4'-P energy: -137.192 tors. eta vs tors. theta energy: -217.259 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: 1 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2520.096724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.096724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.096724 (E_RNA) where: Base-Base interactions energy: -1754.211 where: short stacking energy: -750.141 Base-Backbone interact. energy: -3.496 local terms energy: -762.389005 where: bonds (distance) C4'-P energy: -160.911 bonds (distance) P-C4' energy: -148.146 flat angles C4'-P-C4' energy: -162.756 flat angles P-C4'-P energy: -99.032 tors. eta vs tors. theta energy: -191.545 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: 8, replica: 8 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -2237.132949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.132949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.132949 (E_RNA) where: Base-Base interactions energy: -1513.915 where: short stacking energy: -692.343 Base-Backbone interact. energy: -3.376 local terms energy: -719.841990 where: bonds (distance) C4'-P energy: -144.818 bonds (distance) P-C4' energy: -144.593 flat angles C4'-P-C4' energy: -162.143 flat angles P-C4'-P energy: -116.201 tors. eta vs tors. theta energy: -152.088 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: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1984.738064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.738064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.738064 (E_RNA) where: Base-Base interactions energy: -1313.384 where: short stacking energy: -584.933 Base-Backbone interact. energy: -0.695 local terms energy: -670.658861 where: bonds (distance) C4'-P energy: -146.175 bonds (distance) P-C4' energy: -139.431 flat angles C4'-P-C4' energy: -160.109 flat angles P-C4'-P energy: -104.765 tors. eta vs tors. theta energy: -120.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1521.935594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.935594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.935594 (E_RNA) where: Base-Base interactions energy: -974.575 where: short stacking energy: -478.274 Base-Backbone interact. energy: 7.599 local terms energy: -554.959574 where: bonds (distance) C4'-P energy: -121.456 bonds (distance) P-C4' energy: -147.363 flat angles C4'-P-C4' energy: -141.323 flat angles P-C4'-P energy: -93.784 tors. eta vs tors. theta energy: -51.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3452.499072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3452.499072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3452.499072 (E_RNA) where: Base-Base interactions energy: -2444.541 where: short stacking energy: -1042.446 Base-Backbone interact. energy: -6.153 local terms energy: -1001.804138 where: bonds (distance) C4'-P energy: -171.196 bonds (distance) P-C4' energy: -200.032 flat angles C4'-P-C4' energy: -208.122 flat angles P-C4'-P energy: -130.078 tors. eta vs tors. theta energy: -292.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3327.430371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.430371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.430371 (E_RNA) where: Base-Base interactions energy: -2336.012 where: short stacking energy: -959.049 Base-Backbone interact. energy: -3.735 local terms energy: -987.682737 where: bonds (distance) C4'-P energy: -187.168 bonds (distance) P-C4' energy: -188.015 flat angles C4'-P-C4' energy: -210.186 flat angles P-C4'-P energy: -137.432 tors. eta vs tors. theta energy: -264.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -3158.311983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.311983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.311983 (E_RNA) where: Base-Base interactions energy: -2234.493 where: short stacking energy: -942.387 Base-Backbone interact. energy: 4.611 local terms energy: -928.430778 where: bonds (distance) C4'-P energy: -173.286 bonds (distance) P-C4' energy: -185.933 flat angles C4'-P-C4' energy: -190.185 flat angles P-C4'-P energy: -137.567 tors. eta vs tors. theta energy: -241.460 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: 7 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -3004.128848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.128848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.128848 (E_RNA) where: Base-Base interactions energy: -2145.393 where: short stacking energy: -880.359 Base-Backbone interact. energy: -3.665 local terms energy: -855.071584 where: bonds (distance) C4'-P energy: -159.225 bonds (distance) P-C4' energy: -168.337 flat angles C4'-P-C4' energy: -193.276 flat angles P-C4'-P energy: -126.344 tors. eta vs tors. theta energy: -207.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2888.620484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.620484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.620484 (E_RNA) where: Base-Base interactions energy: -2062.874 where: short stacking energy: -872.047 Base-Backbone interact. energy: 2.184 local terms energy: -827.930815 where: bonds (distance) C4'-P energy: -154.038 bonds (distance) P-C4' energy: -155.601 flat angles C4'-P-C4' energy: -189.655 flat angles P-C4'-P energy: -113.767 tors. eta vs tors. theta energy: -214.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2785.054643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.054643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.054643 (E_RNA) where: Base-Base interactions energy: -1921.292 where: short stacking energy: -823.715 Base-Backbone interact. energy: -0.638 local terms energy: -863.124701 where: bonds (distance) C4'-P energy: -159.414 bonds (distance) P-C4' energy: -174.100 flat angles C4'-P-C4' energy: -187.153 flat angles P-C4'-P energy: -127.813 tors. eta vs tors. theta energy: -214.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2529.636408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.636408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.636408 (E_RNA) where: Base-Base interactions energy: -1764.042 where: short stacking energy: -737.868 Base-Backbone interact. energy: 2.212 local terms energy: -767.806378 where: bonds (distance) C4'-P energy: -149.304 bonds (distance) P-C4' energy: -157.547 flat angles C4'-P-C4' energy: -157.437 flat angles P-C4'-P energy: -100.637 tors. eta vs tors. theta energy: -202.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -2281.220069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.220069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.220069 (E_RNA) where: Base-Base interactions energy: -1569.492 where: short stacking energy: -673.844 Base-Backbone interact. energy: 9.416 local terms energy: -721.143659 where: bonds (distance) C4'-P energy: -138.993 bonds (distance) P-C4' energy: -157.220 flat angles C4'-P-C4' energy: -172.872 flat angles P-C4'-P energy: -103.194 tors. eta vs tors. theta energy: -148.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1985.132390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.132390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.132390 (E_RNA) where: Base-Base interactions energy: -1344.868 where: short stacking energy: -577.391 Base-Backbone interact. energy: 2.076 local terms energy: -642.340191 where: bonds (distance) C4'-P energy: -130.427 bonds (distance) P-C4' energy: -148.248 flat angles C4'-P-C4' energy: -160.930 flat angles P-C4'-P energy: -81.165 tors. eta vs tors. theta energy: -121.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1505.708567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.708567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.708567 (E_RNA) where: Base-Base interactions energy: -957.869 where: short stacking energy: -452.479 Base-Backbone interact. energy: 3.757 local terms energy: -551.596834 where: bonds (distance) C4'-P energy: -145.148 bonds (distance) P-C4' energy: -151.993 flat angles C4'-P-C4' energy: -142.616 flat angles P-C4'-P energy: -59.687 tors. eta vs tors. theta energy: -52.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3464.266404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.266404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.266404 (E_RNA) where: Base-Base interactions energy: -2462.429 where: short stacking energy: -1046.606 Base-Backbone interact. energy: -4.768 local terms energy: -997.069405 where: bonds (distance) C4'-P energy: -175.206 bonds (distance) P-C4' energy: -185.773 flat angles C4'-P-C4' energy: -218.251 flat angles P-C4'-P energy: -129.676 tors. eta vs tors. theta energy: -288.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3287.559012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.559012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.559012 (E_RNA) where: Base-Base interactions energy: -2328.379 where: short stacking energy: -954.277 Base-Backbone interact. energy: -8.843 local terms energy: -950.337261 where: bonds (distance) C4'-P energy: -170.214 bonds (distance) P-C4' energy: -181.623 flat angles C4'-P-C4' energy: -191.023 flat angles P-C4'-P energy: -141.113 tors. eta vs tors. theta energy: -266.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -3127.589942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.589942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.589942 (E_RNA) where: Base-Base interactions energy: -2194.908 where: short stacking energy: -913.232 Base-Backbone interact. energy: -0.022 local terms energy: -932.659711 where: bonds (distance) C4'-P energy: -184.028 bonds (distance) P-C4' energy: -178.864 flat angles C4'-P-C4' energy: -204.885 flat angles P-C4'-P energy: -117.436 tors. eta vs tors. theta energy: -247.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2990.951000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.951000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.951000 (E_RNA) where: Base-Base interactions energy: -2156.030 where: short stacking energy: -861.763 Base-Backbone interact. energy: -0.901 local terms energy: -834.019858 where: bonds (distance) C4'-P energy: -161.992 bonds (distance) P-C4' energy: -161.618 flat angles C4'-P-C4' energy: -187.699 flat angles P-C4'-P energy: -105.296 tors. eta vs tors. theta energy: -217.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2962.959014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.959014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.959014 (E_RNA) where: Base-Base interactions energy: -2062.345 where: short stacking energy: -879.525 Base-Backbone interact. energy: -1.226 local terms energy: -899.388042 where: bonds (distance) C4'-P energy: -178.984 bonds (distance) P-C4' energy: -165.286 flat angles C4'-P-C4' energy: -192.873 flat angles P-C4'-P energy: -118.037 tors. eta vs tors. theta energy: -244.208 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: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2767.140427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.140427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.140427 (E_RNA) where: Base-Base interactions energy: -1917.558 where: short stacking energy: -832.007 Base-Backbone interact. energy: -4.662 local terms energy: -844.920981 where: bonds (distance) C4'-P energy: -150.016 bonds (distance) P-C4' energy: -170.629 flat angles C4'-P-C4' energy: -191.983 flat angles P-C4'-P energy: -113.510 tors. eta vs tors. theta energy: -218.784 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: 1 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -2562.956084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.956084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.956084 (E_RNA) where: Base-Base interactions energy: -1744.598 where: short stacking energy: -779.177 Base-Backbone interact. energy: 0.162 local terms energy: -818.520455 where: bonds (distance) C4'-P energy: -153.589 bonds (distance) P-C4' energy: -176.521 flat angles C4'-P-C4' energy: -180.188 flat angles P-C4'-P energy: -104.233 tors. eta vs tors. theta energy: -203.989 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: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -2284.759609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.759609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.759609 (E_RNA) where: Base-Base interactions energy: -1623.641 where: short stacking energy: -696.245 Base-Backbone interact. energy: 0.675 local terms energy: -661.793895 where: bonds (distance) C4'-P energy: -143.204 bonds (distance) P-C4' energy: -124.039 flat angles C4'-P-C4' energy: -147.435 flat angles P-C4'-P energy: -93.299 tors. eta vs tors. theta energy: -153.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1969.442874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.442874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.442874 (E_RNA) where: Base-Base interactions energy: -1369.039 where: short stacking energy: -608.231 Base-Backbone interact. energy: -0.321 local terms energy: -600.083153 where: bonds (distance) C4'-P energy: -109.540 bonds (distance) P-C4' energy: -135.910 flat angles C4'-P-C4' energy: -123.695 flat angles P-C4'-P energy: -113.823 tors. eta vs tors. theta energy: -117.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1530.760712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.760712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.760712 (E_RNA) where: Base-Base interactions energy: -957.690 where: short stacking energy: -429.287 Base-Backbone interact. energy: 4.023 local terms energy: -577.094157 where: bonds (distance) C4'-P energy: -137.417 bonds (distance) P-C4' energy: -153.248 flat angles C4'-P-C4' energy: -123.552 flat angles P-C4'-P energy: -96.844 tors. eta vs tors. theta energy: -66.034 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: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3447.637235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3447.637235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3447.637235 (E_RNA) where: Base-Base interactions energy: -2429.617 where: short stacking energy: -1023.241 Base-Backbone interact. energy: -6.001 local terms energy: -1012.019355 where: bonds (distance) C4'-P energy: -181.514 bonds (distance) P-C4' energy: -173.402 flat angles C4'-P-C4' energy: -207.927 flat angles P-C4'-P energy: -161.862 tors. eta vs tors. theta energy: -287.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3284.075536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.075536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.075536 (E_RNA) where: Base-Base interactions energy: -2328.406 where: short stacking energy: -938.438 Base-Backbone interact. energy: 1.620 local terms energy: -957.289364 where: bonds (distance) C4'-P energy: -180.812 bonds (distance) P-C4' energy: -178.076 flat angles C4'-P-C4' energy: -216.210 flat angles P-C4'-P energy: -131.103 tors. eta vs tors. theta energy: -251.089 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: 331 Temperature: 1.000000 Total energy: -3113.010345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.010345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.010345 (E_RNA) where: Base-Base interactions energy: -2199.264 where: short stacking energy: -907.609 Base-Backbone interact. energy: -0.561 local terms energy: -913.184909 where: bonds (distance) C4'-P energy: -156.707 bonds (distance) P-C4' energy: -173.446 flat angles C4'-P-C4' energy: -195.615 flat angles P-C4'-P energy: -151.785 tors. eta vs tors. theta energy: -235.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -3023.714603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.714603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.714603 (E_RNA) where: Base-Base interactions energy: -2166.455 where: short stacking energy: -889.683 Base-Backbone interact. energy: -4.632 local terms energy: -852.627647 where: bonds (distance) C4'-P energy: -155.982 bonds (distance) P-C4' energy: -189.915 flat angles C4'-P-C4' energy: -180.783 flat angles P-C4'-P energy: -114.583 tors. eta vs tors. theta energy: -211.364 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: 331 Temperature: 1.100000 Total energy: -2955.287235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.287235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.287235 (E_RNA) where: Base-Base interactions energy: -2100.591 where: short stacking energy: -889.377 Base-Backbone interact. energy: -3.627 local terms energy: -851.069156 where: bonds (distance) C4'-P energy: -164.735 bonds (distance) P-C4' energy: -157.939 flat angles C4'-P-C4' energy: -172.335 flat angles P-C4'-P energy: -126.445 tors. eta vs tors. theta energy: -229.616 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: 331 Temperature: 1.150000 Total energy: -2773.884937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.884937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.884937 (E_RNA) where: Base-Base interactions energy: -1912.158 where: short stacking energy: -832.088 Base-Backbone interact. energy: -3.606 local terms energy: -858.120910 where: bonds (distance) C4'-P energy: -166.328 bonds (distance) P-C4' energy: -161.417 flat angles C4'-P-C4' energy: -190.463 flat angles P-C4'-P energy: -130.304 tors. eta vs tors. theta energy: -209.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2536.344480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.344480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.344480 (E_RNA) where: Base-Base interactions energy: -1743.573 where: short stacking energy: -740.329 Base-Backbone interact. energy: -2.763 local terms energy: -790.008157 where: bonds (distance) C4'-P energy: -136.567 bonds (distance) P-C4' energy: -169.808 flat angles C4'-P-C4' energy: -176.221 flat angles P-C4'-P energy: -118.021 tors. eta vs tors. theta energy: -189.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -2280.230176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.230176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.230176 (E_RNA) where: Base-Base interactions energy: -1581.235 where: short stacking energy: -671.657 Base-Backbone interact. energy: -2.317 local terms energy: -696.677874 where: bonds (distance) C4'-P energy: -159.839 bonds (distance) P-C4' energy: -153.066 flat angles C4'-P-C4' energy: -141.240 flat angles P-C4'-P energy: -92.663 tors. eta vs tors. theta energy: -149.870 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: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -2040.225301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.225301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.225301 (E_RNA) where: Base-Base interactions energy: -1384.085 where: short stacking energy: -616.958 Base-Backbone interact. energy: -2.363 local terms energy: -653.777070 where: bonds (distance) C4'-P energy: -132.812 bonds (distance) P-C4' energy: -151.790 flat angles C4'-P-C4' energy: -158.135 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -134.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1525.395484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.395484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.395484 (E_RNA) where: Base-Base interactions energy: -979.301 where: short stacking energy: -453.790 Base-Backbone interact. energy: -0.740 local terms energy: -545.354575 where: bonds (distance) C4'-P energy: -150.263 bonds (distance) P-C4' energy: -136.880 flat angles C4'-P-C4' energy: -138.724 flat angles P-C4'-P energy: -66.852 tors. eta vs tors. theta energy: -52.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3472.025794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.025794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.025794 (E_RNA) where: Base-Base interactions energy: -2469.558 where: short stacking energy: -1040.568 Base-Backbone interact. energy: -7.392 local terms energy: -995.076184 where: bonds (distance) C4'-P energy: -184.861 bonds (distance) P-C4' energy: -183.391 flat angles C4'-P-C4' energy: -201.309 flat angles P-C4'-P energy: -132.589 tors. eta vs tors. theta energy: -292.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -3335.258583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.258583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.258583 (E_RNA) where: Base-Base interactions energy: -2350.018 where: short stacking energy: -976.187 Base-Backbone interact. energy: -1.658 local terms energy: -983.581963 where: bonds (distance) C4'-P energy: -174.577 bonds (distance) P-C4' energy: -185.690 flat angles C4'-P-C4' energy: -213.307 flat angles P-C4'-P energy: -144.112 tors. eta vs tors. theta energy: -265.897 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: 332 Temperature: 1.000000 Total energy: -3189.463118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.463118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.463118 (E_RNA) where: Base-Base interactions energy: -2255.707 where: short stacking energy: -955.167 Base-Backbone interact. energy: 1.407 local terms energy: -935.162943 where: bonds (distance) C4'-P energy: -165.341 bonds (distance) P-C4' energy: -186.405 flat angles C4'-P-C4' energy: -204.084 flat angles P-C4'-P energy: -138.245 tors. eta vs tors. theta energy: -241.088 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: 332 Temperature: 1.050000 Total energy: -3034.491211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.491211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.491211 (E_RNA) where: Base-Base interactions energy: -2138.853 where: short stacking energy: -898.435 Base-Backbone interact. energy: -1.325 local terms energy: -894.313865 where: bonds (distance) C4'-P energy: -157.619 bonds (distance) P-C4' energy: -182.742 flat angles C4'-P-C4' energy: -184.223 flat angles P-C4'-P energy: -126.337 tors. eta vs tors. theta energy: -243.393 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: 332 Temperature: 1.100000 Total energy: -2903.721294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.721294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.721294 (E_RNA) where: Base-Base interactions energy: -2043.495 where: short stacking energy: -835.599 Base-Backbone interact. energy: -5.035 local terms energy: -855.191345 where: bonds (distance) C4'-P energy: -161.388 bonds (distance) P-C4' energy: -174.151 flat angles C4'-P-C4' energy: -189.915 flat angles P-C4'-P energy: -125.018 tors. eta vs tors. theta energy: -204.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2808.592494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.592494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.592494 (E_RNA) where: Base-Base interactions energy: -1994.435 where: short stacking energy: -891.563 Base-Backbone interact. energy: -1.286 local terms energy: -812.871536 where: bonds (distance) C4'-P energy: -126.022 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -178.219 flat angles P-C4'-P energy: -129.483 tors. eta vs tors. theta energy: -232.957 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: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2590.459085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.459085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.459085 (E_RNA) where: Base-Base interactions energy: -1770.668 where: short stacking energy: -750.864 Base-Backbone interact. energy: -1.332 local terms energy: -818.459119 where: bonds (distance) C4'-P energy: -149.625 bonds (distance) P-C4' energy: -165.176 flat angles C4'-P-C4' energy: -177.128 flat angles P-C4'-P energy: -117.994 tors. eta vs tors. theta energy: -208.536 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: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2273.837960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.837960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.837960 (E_RNA) where: Base-Base interactions energy: -1563.702 where: short stacking energy: -702.554 Base-Backbone interact. energy: 1.496 local terms energy: -711.632694 where: bonds (distance) C4'-P energy: -156.241 bonds (distance) P-C4' energy: -134.830 flat angles C4'-P-C4' energy: -151.365 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -168.996 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: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -2103.086959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.086959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.086959 (E_RNA) where: Base-Base interactions energy: -1477.982 where: short stacking energy: -644.966 Base-Backbone interact. energy: 4.270 local terms energy: -629.374481 where: bonds (distance) C4'-P energy: -141.111 bonds (distance) P-C4' energy: -110.989 flat angles C4'-P-C4' energy: -141.320 flat angles P-C4'-P energy: -110.776 tors. eta vs tors. theta energy: -125.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1459.184365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.184365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.184365 (E_RNA) where: Base-Base interactions energy: -986.659 where: short stacking energy: -423.689 Base-Backbone interact. energy: 4.811 local terms energy: -477.335728 where: bonds (distance) C4'-P energy: -122.501 bonds (distance) P-C4' energy: -123.727 flat angles C4'-P-C4' energy: -137.086 flat angles P-C4'-P energy: -66.810 tors. eta vs tors. theta energy: -27.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3464.863709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.863709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.863709 (E_RNA) where: Base-Base interactions energy: -2443.771 where: short stacking energy: -1046.312 Base-Backbone interact. energy: 2.083 local terms energy: -1023.175637 where: bonds (distance) C4'-P energy: -189.027 bonds (distance) P-C4' energy: -192.794 flat angles C4'-P-C4' energy: -219.955 flat angles P-C4'-P energy: -137.553 tors. eta vs tors. theta energy: -283.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3382.972167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3382.972167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3382.972167 (E_RNA) where: Base-Base interactions energy: -2406.565 where: short stacking energy: -986.005 Base-Backbone interact. energy: -3.963 local terms energy: -972.443630 where: bonds (distance) C4'-P energy: -173.619 bonds (distance) P-C4' energy: -186.113 flat angles C4'-P-C4' energy: -202.537 flat angles P-C4'-P energy: -148.791 tors. eta vs tors. theta energy: -261.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -3153.912830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.912830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.912830 (E_RNA) where: Base-Base interactions energy: -2258.239 where: short stacking energy: -934.302 Base-Backbone interact. energy: -2.912 local terms energy: -892.761504 where: bonds (distance) C4'-P energy: -167.179 bonds (distance) P-C4' energy: -181.571 flat angles C4'-P-C4' energy: -186.033 flat angles P-C4'-P energy: -105.206 tors. eta vs tors. theta energy: -252.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -3016.151132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.151132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.151132 (E_RNA) where: Base-Base interactions energy: -2126.902 where: short stacking energy: -921.645 Base-Backbone interact. energy: -5.871 local terms energy: -883.378292 where: bonds (distance) C4'-P energy: -170.003 bonds (distance) P-C4' energy: -157.844 flat angles C4'-P-C4' energy: -190.696 flat angles P-C4'-P energy: -119.431 tors. eta vs tors. theta energy: -245.404 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: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2913.515204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.515204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.515204 (E_RNA) where: Base-Base interactions energy: -2044.407 where: short stacking energy: -853.733 Base-Backbone interact. energy: -2.695 local terms energy: -866.412297 where: bonds (distance) C4'-P energy: -170.220 bonds (distance) P-C4' energy: -159.208 flat angles C4'-P-C4' energy: -182.769 flat angles P-C4'-P energy: -134.933 tors. eta vs tors. theta energy: -219.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2798.425719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.425719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.425719 (E_RNA) where: Base-Base interactions energy: -1938.353 where: short stacking energy: -863.636 Base-Backbone interact. energy: -2.453 local terms energy: -857.619977 where: bonds (distance) C4'-P energy: -170.047 bonds (distance) P-C4' energy: -160.120 flat angles C4'-P-C4' energy: -199.342 flat angles P-C4'-P energy: -110.741 tors. eta vs tors. theta energy: -217.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2692.495178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.495178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.495178 (E_RNA) where: Base-Base interactions energy: -1875.052 where: short stacking energy: -830.384 Base-Backbone interact. energy: -3.119 local terms energy: -814.324910 where: bonds (distance) C4'-P energy: -151.482 bonds (distance) P-C4' energy: -148.891 flat angles C4'-P-C4' energy: -179.092 flat angles P-C4'-P energy: -124.829 tors. eta vs tors. theta energy: -210.031 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: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -2271.347755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.347755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.347755 (E_RNA) where: Base-Base interactions energy: -1558.629 where: short stacking energy: -700.543 Base-Backbone interact. energy: 2.336 local terms energy: -715.054312 where: bonds (distance) C4'-P energy: -141.305 bonds (distance) P-C4' energy: -147.252 flat angles C4'-P-C4' energy: -153.880 flat angles P-C4'-P energy: -111.576 tors. eta vs tors. theta energy: -161.041 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: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -2128.716527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.716527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.716527 (E_RNA) where: Base-Base interactions energy: -1415.234 where: short stacking energy: -602.014 Base-Backbone interact. energy: -1.801 local terms energy: -711.682210 where: bonds (distance) C4'-P energy: -129.586 bonds (distance) P-C4' energy: -159.272 flat angles C4'-P-C4' energy: -170.725 flat angles P-C4'-P energy: -107.951 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: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1447.455171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.455171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.455171 (E_RNA) where: Base-Base interactions energy: -887.039 where: short stacking energy: -405.369 Base-Backbone interact. energy: 0.289 local terms energy: -560.705305 where: bonds (distance) C4'-P energy: -146.073 bonds (distance) P-C4' energy: -152.928 flat angles C4'-P-C4' energy: -139.444 flat angles P-C4'-P energy: -85.190 tors. eta vs tors. theta energy: -37.069 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: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3462.032707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.032707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.032707 (E_RNA) where: Base-Base interactions energy: -2437.903 where: short stacking energy: -1049.349 Base-Backbone interact. energy: -7.690 local terms energy: -1016.440031 where: bonds (distance) C4'-P energy: -174.399 bonds (distance) P-C4' energy: -188.025 flat angles C4'-P-C4' energy: -225.176 flat angles P-C4'-P energy: -141.252 tors. eta vs tors. theta energy: -287.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -3338.132036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3338.132036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3338.132036 (E_RNA) where: Base-Base interactions energy: -2382.312 where: short stacking energy: -991.771 Base-Backbone interact. energy: -1.324 local terms energy: -954.496258 where: bonds (distance) C4'-P energy: -181.895 bonds (distance) P-C4' energy: -172.450 flat angles C4'-P-C4' energy: -199.073 flat angles P-C4'-P energy: -136.237 tors. eta vs tors. theta energy: -264.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -3145.636524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.636524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.636524 (E_RNA) where: Base-Base interactions energy: -2239.031 where: short stacking energy: -939.558 Base-Backbone interact. energy: -3.085 local terms energy: -903.520054 where: bonds (distance) C4'-P energy: -178.892 bonds (distance) P-C4' energy: -165.620 flat angles C4'-P-C4' energy: -195.460 flat angles P-C4'-P energy: -121.778 tors. eta vs tors. theta energy: -241.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -3080.009620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.009620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.009620 (E_RNA) where: Base-Base interactions energy: -2158.887 where: short stacking energy: -894.008 Base-Backbone interact. energy: 1.539 local terms energy: -922.661866 where: bonds (distance) C4'-P energy: -169.822 bonds (distance) P-C4' energy: -186.762 flat angles C4'-P-C4' energy: -194.573 flat angles P-C4'-P energy: -130.550 tors. eta vs tors. theta energy: -240.955 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: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2917.978561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.978561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.978561 (E_RNA) where: Base-Base interactions energy: -2053.757 where: short stacking energy: -861.539 Base-Backbone interact. energy: 1.474 local terms energy: -865.695782 where: bonds (distance) C4'-P energy: -169.142 bonds (distance) P-C4' energy: -180.663 flat angles C4'-P-C4' energy: -183.640 flat angles P-C4'-P energy: -120.192 tors. eta vs tors. theta energy: -212.058 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: 334 Temperature: 1.150000 Total energy: -2739.624666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.624666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.624666 (E_RNA) where: Base-Base interactions energy: -1890.472 where: short stacking energy: -818.094 Base-Backbone interact. energy: -0.669 local terms energy: -848.483701 where: bonds (distance) C4'-P energy: -165.975 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -189.270 flat angles P-C4'-P energy: -114.182 tors. eta vs tors. theta energy: -228.535 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: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2652.819432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.819432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.819432 (E_RNA) where: Base-Base interactions energy: -1827.714 where: short stacking energy: -779.848 Base-Backbone interact. energy: -4.539 local terms energy: -820.566377 where: bonds (distance) C4'-P energy: -167.356 bonds (distance) P-C4' energy: -176.242 flat angles C4'-P-C4' energy: -153.882 flat angles P-C4'-P energy: -122.012 tors. eta vs tors. theta energy: -201.076 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: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -2265.860284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.860284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.860284 (E_RNA) where: Base-Base interactions energy: -1556.608 where: short stacking energy: -713.165 Base-Backbone interact. energy: -2.526 local terms energy: -706.726600 where: bonds (distance) C4'-P energy: -150.798 bonds (distance) P-C4' energy: -148.255 flat angles C4'-P-C4' energy: -167.781 flat angles P-C4'-P energy: -86.392 tors. eta vs tors. theta energy: -153.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -2073.552765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.552765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.552765 (E_RNA) where: Base-Base interactions energy: -1377.216 where: short stacking energy: -630.119 Base-Backbone interact. energy: -3.856 local terms energy: -692.480694 where: bonds (distance) C4'-P energy: -135.440 bonds (distance) P-C4' energy: -162.087 flat angles C4'-P-C4' energy: -163.266 flat angles P-C4'-P energy: -95.617 tors. eta vs tors. theta energy: -136.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1508.038817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.038817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.038817 (E_RNA) where: Base-Base interactions energy: -924.875 where: short stacking energy: -408.452 Base-Backbone interact. energy: 2.157 local terms energy: -585.320950 where: bonds (distance) C4'-P energy: -156.197 bonds (distance) P-C4' energy: -149.763 flat angles C4'-P-C4' energy: -131.103 flat angles P-C4'-P energy: -113.533 tors. eta vs tors. theta energy: -34.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3465.961289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.961289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.961289 (E_RNA) where: Base-Base interactions energy: -2454.299 where: short stacking energy: -1068.397 Base-Backbone interact. energy: -7.535 local terms energy: -1004.127675 where: bonds (distance) C4'-P energy: -175.752 bonds (distance) P-C4' energy: -183.173 flat angles C4'-P-C4' energy: -214.443 flat angles P-C4'-P energy: -136.009 tors. eta vs tors. theta energy: -294.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -3312.182577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.182577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.182577 (E_RNA) where: Base-Base interactions energy: -2381.698 where: short stacking energy: -980.908 Base-Backbone interact. energy: 1.731 local terms energy: -932.216312 where: bonds (distance) C4'-P energy: -157.821 bonds (distance) P-C4' energy: -175.374 flat angles C4'-P-C4' energy: -195.700 flat angles P-C4'-P energy: -131.145 tors. eta vs tors. theta energy: -272.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -3132.052020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.052020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.052020 (E_RNA) where: Base-Base interactions energy: -2220.199 where: short stacking energy: -935.928 Base-Backbone interact. energy: 5.939 local terms energy: -917.792490 where: bonds (distance) C4'-P energy: -175.906 bonds (distance) P-C4' energy: -172.192 flat angles C4'-P-C4' energy: -202.880 flat angles P-C4'-P energy: -124.977 tors. eta vs tors. theta energy: -241.837 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: 335 Temperature: 1.050000 Total energy: -3083.782899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.782899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.782899 (E_RNA) where: Base-Base interactions energy: -2179.023 where: short stacking energy: -897.659 Base-Backbone interact. energy: -2.284 local terms energy: -902.476021 where: bonds (distance) C4'-P energy: -166.723 bonds (distance) P-C4' energy: -181.430 flat angles C4'-P-C4' energy: -190.853 flat angles P-C4'-P energy: -122.046 tors. eta vs tors. theta energy: -241.424 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: 335 Temperature: 1.100000 Total energy: -2937.668062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.668062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.668062 (E_RNA) where: Base-Base interactions energy: -2094.304 where: short stacking energy: -876.893 Base-Backbone interact. energy: -4.802 local terms energy: -838.561962 where: bonds (distance) C4'-P energy: -156.700 bonds (distance) P-C4' energy: -163.978 flat angles C4'-P-C4' energy: -185.330 flat angles P-C4'-P energy: -122.790 tors. eta vs tors. theta energy: -209.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2792.428158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.428158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.428158 (E_RNA) where: Base-Base interactions energy: -1972.373 where: short stacking energy: -834.587 Base-Backbone interact. energy: -5.262 local terms energy: -814.793956 where: bonds (distance) C4'-P energy: -156.704 bonds (distance) P-C4' energy: -150.455 flat angles C4'-P-C4' energy: -188.544 flat angles P-C4'-P energy: -113.240 tors. eta vs tors. theta energy: -205.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2588.400830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.400830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.400830 (E_RNA) where: Base-Base interactions energy: -1804.287 where: short stacking energy: -785.993 Base-Backbone interact. energy: -2.610 local terms energy: -781.503134 where: bonds (distance) C4'-P energy: -147.891 bonds (distance) P-C4' energy: -139.966 flat angles C4'-P-C4' energy: -171.834 flat angles P-C4'-P energy: -115.622 tors. eta vs tors. theta energy: -206.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -2287.081711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.081711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.081711 (E_RNA) where: Base-Base interactions energy: -1531.491 where: short stacking energy: -654.601 Base-Backbone interact. energy: -4.461 local terms energy: -751.129880 where: bonds (distance) C4'-P energy: -153.172 bonds (distance) P-C4' energy: -149.615 flat angles C4'-P-C4' energy: -189.488 flat angles P-C4'-P energy: -100.794 tors. eta vs tors. theta energy: -158.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -2085.284044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.284044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.284044 (E_RNA) where: Base-Base interactions energy: -1374.706 where: short stacking energy: -605.223 Base-Backbone interact. energy: -3.999 local terms energy: -706.578531 where: bonds (distance) C4'-P energy: -140.619 bonds (distance) P-C4' energy: -132.779 flat angles C4'-P-C4' energy: -170.674 flat angles P-C4'-P energy: -107.289 tors. eta vs tors. theta energy: -155.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1544.832383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.832383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.832383 (E_RNA) where: Base-Base interactions energy: -987.992 where: short stacking energy: -445.393 Base-Backbone interact. energy: 0.431 local terms energy: -557.270778 where: bonds (distance) C4'-P energy: -146.265 bonds (distance) P-C4' energy: -146.435 flat angles C4'-P-C4' energy: -141.734 flat angles P-C4'-P energy: -79.395 tors. eta vs tors. theta energy: -43.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3447.768842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3447.768842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3447.768842 (E_RNA) where: Base-Base interactions energy: -2436.486 where: short stacking energy: -1033.903 Base-Backbone interact. energy: -0.016 local terms energy: -1011.267484 where: bonds (distance) C4'-P energy: -179.051 bonds (distance) P-C4' energy: -184.759 flat angles C4'-P-C4' energy: -213.851 flat angles P-C4'-P energy: -136.580 tors. eta vs tors. theta energy: -297.026 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: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -3303.550638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.550638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.550638 (E_RNA) where: Base-Base interactions energy: -2352.971 where: short stacking energy: -965.197 Base-Backbone interact. energy: -0.324 local terms energy: -950.256564 where: bonds (distance) C4'-P energy: -165.973 bonds (distance) P-C4' energy: -179.498 flat angles C4'-P-C4' energy: -202.691 flat angles P-C4'-P energy: -140.444 tors. eta vs tors. theta energy: -261.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -3152.269696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.269696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.269696 (E_RNA) where: Base-Base interactions energy: -2275.693 where: short stacking energy: -923.590 Base-Backbone interact. energy: 3.474 local terms energy: -880.050884 where: bonds (distance) C4'-P energy: -148.434 bonds (distance) P-C4' energy: -171.816 flat angles C4'-P-C4' energy: -193.391 flat angles P-C4'-P energy: -107.518 tors. eta vs tors. theta energy: -258.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -3026.646624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.646624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.646624 (E_RNA) where: Base-Base interactions energy: -2148.439 where: short stacking energy: -924.554 Base-Backbone interact. energy: 0.661 local terms energy: -878.868731 where: bonds (distance) C4'-P energy: -148.863 bonds (distance) P-C4' energy: -167.658 flat angles C4'-P-C4' energy: -181.451 flat angles P-C4'-P energy: -140.788 tors. eta vs tors. theta energy: -240.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2958.379131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.379131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.379131 (E_RNA) where: Base-Base interactions energy: -2100.774 where: short stacking energy: -847.918 Base-Backbone interact. energy: 0.167 local terms energy: -857.771592 where: bonds (distance) C4'-P energy: -161.735 bonds (distance) P-C4' energy: -170.851 flat angles C4'-P-C4' energy: -180.136 flat angles P-C4'-P energy: -139.740 tors. eta vs tors. theta energy: -205.310 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: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2793.676597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.676597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.676597 (E_RNA) where: Base-Base interactions energy: -1931.421 where: short stacking energy: -818.931 Base-Backbone interact. energy: -0.221 local terms energy: -862.034834 where: bonds (distance) C4'-P energy: -162.948 bonds (distance) P-C4' energy: -172.630 flat angles C4'-P-C4' energy: -185.673 flat angles P-C4'-P energy: -126.916 tors. eta vs tors. theta energy: -213.868 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: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2569.083280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2569.083280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2569.083280 (E_RNA) where: Base-Base interactions energy: -1795.071 where: short stacking energy: -796.777 Base-Backbone interact. energy: 1.001 local terms energy: -775.012941 where: bonds (distance) C4'-P energy: -133.216 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -181.344 flat angles P-C4'-P energy: -100.755 tors. eta vs tors. theta energy: -217.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -2281.914857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.914857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.914857 (E_RNA) where: Base-Base interactions energy: -1564.674 where: short stacking energy: -676.453 Base-Backbone interact. energy: 6.540 local terms energy: -723.781038 where: bonds (distance) C4'-P energy: -147.814 bonds (distance) P-C4' energy: -154.101 flat angles C4'-P-C4' energy: -165.194 flat angles P-C4'-P energy: -78.876 tors. eta vs tors. theta energy: -177.796 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: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -2018.169035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.169035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.169035 (E_RNA) where: Base-Base interactions energy: -1366.753 where: short stacking energy: -606.317 Base-Backbone interact. energy: -1.554 local terms energy: -649.861854 where: bonds (distance) C4'-P energy: -137.002 bonds (distance) P-C4' energy: -148.028 flat angles C4'-P-C4' energy: -130.514 flat angles P-C4'-P energy: -104.450 tors. eta vs tors. theta energy: -129.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1578.391321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.391321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.391321 (E_RNA) where: Base-Base interactions energy: -1015.626 where: short stacking energy: -447.418 Base-Backbone interact. energy: 5.089 local terms energy: -567.853780 where: bonds (distance) C4'-P energy: -157.894 bonds (distance) P-C4' energy: -143.885 flat angles C4'-P-C4' energy: -129.534 flat angles P-C4'-P energy: -87.419 tors. eta vs tors. theta energy: -49.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3438.130023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3438.130023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3438.130023 (E_RNA) where: Base-Base interactions energy: -2439.893 where: short stacking energy: -1028.680 Base-Backbone interact. energy: -6.301 local terms energy: -991.936348 where: bonds (distance) C4'-P energy: -174.444 bonds (distance) P-C4' energy: -180.812 flat angles C4'-P-C4' energy: -221.323 flat angles P-C4'-P energy: -136.596 tors. eta vs tors. theta energy: -278.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3288.959650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.959650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.959650 (E_RNA) where: Base-Base interactions energy: -2321.640 where: short stacking energy: -920.133 Base-Backbone interact. energy: -4.359 local terms energy: -962.960501 where: bonds (distance) C4'-P energy: -183.257 bonds (distance) P-C4' energy: -182.288 flat angles C4'-P-C4' energy: -207.661 flat angles P-C4'-P energy: -130.577 tors. eta vs tors. theta energy: -259.177 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: 3, replica: 5 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -3155.955113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.955113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.955113 (E_RNA) where: Base-Base interactions energy: -2225.696 where: short stacking energy: -923.273 Base-Backbone interact. energy: -2.559 local terms energy: -927.700636 where: bonds (distance) C4'-P energy: -157.018 bonds (distance) P-C4' energy: -173.941 flat angles C4'-P-C4' energy: -214.360 flat angles P-C4'-P energy: -134.982 tors. eta vs tors. theta energy: -247.398 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: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -3009.565998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.565998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.565998 (E_RNA) where: Base-Base interactions energy: -2153.514 where: short stacking energy: -884.491 Base-Backbone interact. energy: -5.792 local terms energy: -850.259271 where: bonds (distance) C4'-P energy: -145.059 bonds (distance) P-C4' energy: -169.305 flat angles C4'-P-C4' energy: -189.226 flat angles P-C4'-P energy: -128.699 tors. eta vs tors. theta energy: -217.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2965.955462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.955462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.955462 (E_RNA) where: Base-Base interactions energy: -2099.843 where: short stacking energy: -872.094 Base-Backbone interact. energy: -0.362 local terms energy: -865.750346 where: bonds (distance) C4'-P energy: -172.062 bonds (distance) P-C4' energy: -171.600 flat angles C4'-P-C4' energy: -185.366 flat angles P-C4'-P energy: -122.511 tors. eta vs tors. theta energy: -214.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2759.252193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2759.252193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2759.252193 (E_RNA) where: Base-Base interactions energy: -1894.641 where: short stacking energy: -795.765 Base-Backbone interact. energy: -2.803 local terms energy: -861.808201 where: bonds (distance) C4'-P energy: -162.832 bonds (distance) P-C4' energy: -153.125 flat angles C4'-P-C4' energy: -200.535 flat angles P-C4'-P energy: -138.304 tors. eta vs tors. theta energy: -207.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2545.107725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.107725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.107725 (E_RNA) where: Base-Base interactions energy: -1774.153 where: short stacking energy: -748.197 Base-Backbone interact. energy: -0.262 local terms energy: -770.692404 where: bonds (distance) C4'-P energy: -144.051 bonds (distance) P-C4' energy: -146.576 flat angles C4'-P-C4' energy: -182.530 flat angles P-C4'-P energy: -114.379 tors. eta vs tors. theta energy: -183.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -2240.851697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2240.851697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2240.851697 (E_RNA) where: Base-Base interactions energy: -1535.508 where: short stacking energy: -682.322 Base-Backbone interact. energy: 1.528 local terms energy: -706.871580 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -156.032 flat angles C4'-P-C4' energy: -154.803 flat angles P-C4'-P energy: -94.362 tors. eta vs tors. theta energy: -160.874 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: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1953.790252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.790252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.790252 (E_RNA) where: Base-Base interactions energy: -1296.019 where: short stacking energy: -559.029 Base-Backbone interact. energy: 3.410 local terms energy: -661.181381 where: bonds (distance) C4'-P energy: -153.036 bonds (distance) P-C4' energy: -154.494 flat angles C4'-P-C4' energy: -152.051 flat angles P-C4'-P energy: -100.513 tors. eta vs tors. theta energy: -101.087 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: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1549.641971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.641971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.641971 (E_RNA) where: Base-Base interactions energy: -980.991 where: short stacking energy: -420.921 Base-Backbone interact. energy: -0.161 local terms energy: -568.490151 where: bonds (distance) C4'-P energy: -140.259 bonds (distance) P-C4' energy: -158.644 flat angles C4'-P-C4' energy: -135.318 flat angles P-C4'-P energy: -86.130 tors. eta vs tors. theta energy: -48.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3439.934243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3439.934243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3439.934243 (E_RNA) where: Base-Base interactions energy: -2412.416 where: short stacking energy: -1012.400 Base-Backbone interact. energy: -3.401 local terms energy: -1024.117874 where: bonds (distance) C4'-P energy: -186.002 bonds (distance) P-C4' energy: -186.575 flat angles C4'-P-C4' energy: -216.757 flat angles P-C4'-P energy: -147.380 tors. eta vs tors. theta energy: -287.404 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: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3291.763012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.763012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.763012 (E_RNA) where: Base-Base interactions energy: -2320.502 where: short stacking energy: -937.222 Base-Backbone interact. energy: -1.030 local terms energy: -970.230614 where: bonds (distance) C4'-P energy: -184.635 bonds (distance) P-C4' energy: -179.914 flat angles C4'-P-C4' energy: -211.046 flat angles P-C4'-P energy: -145.282 tors. eta vs tors. theta energy: -249.355 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: 3, replica: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -3170.781025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.781025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.781025 (E_RNA) where: Base-Base interactions energy: -2265.311 where: short stacking energy: -915.613 Base-Backbone interact. energy: 2.592 local terms energy: -908.062592 where: bonds (distance) C4'-P energy: -155.712 bonds (distance) P-C4' energy: -184.789 flat angles C4'-P-C4' energy: -209.516 flat angles P-C4'-P energy: -117.005 tors. eta vs tors. theta energy: -241.041 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: 338 Temperature: 1.050000 Total energy: -3025.049930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.049930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.049930 (E_RNA) where: Base-Base interactions energy: -2141.042 where: short stacking energy: -901.118 Base-Backbone interact. energy: 1.613 local terms energy: -885.620303 where: bonds (distance) C4'-P energy: -167.214 bonds (distance) P-C4' energy: -159.728 flat angles C4'-P-C4' energy: -189.780 flat angles P-C4'-P energy: -146.132 tors. eta vs tors. theta energy: -222.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2923.259520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.259520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.259520 (E_RNA) where: Base-Base interactions energy: -2055.093 where: short stacking energy: -857.613 Base-Backbone interact. energy: -0.709 local terms energy: -867.456953 where: bonds (distance) C4'-P energy: -157.146 bonds (distance) P-C4' energy: -169.969 flat angles C4'-P-C4' energy: -186.375 flat angles P-C4'-P energy: -127.801 tors. eta vs tors. theta energy: -226.167 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: 9 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2807.311912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.311912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.311912 (E_RNA) where: Base-Base interactions energy: -1949.680 where: short stacking energy: -851.878 Base-Backbone interact. energy: 2.422 local terms energy: -860.054518 where: bonds (distance) C4'-P energy: -176.684 bonds (distance) P-C4' energy: -162.167 flat angles C4'-P-C4' energy: -187.065 flat angles P-C4'-P energy: -114.752 tors. eta vs tors. theta energy: -219.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2521.639765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.639765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.639765 (E_RNA) where: Base-Base interactions energy: -1731.737 where: short stacking energy: -762.495 Base-Backbone interact. energy: -2.706 local terms energy: -787.196647 where: bonds (distance) C4'-P energy: -143.695 bonds (distance) P-C4' energy: -162.648 flat angles C4'-P-C4' energy: -169.947 flat angles P-C4'-P energy: -116.814 tors. eta vs tors. theta energy: -194.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2312.865649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.865649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.865649 (E_RNA) where: Base-Base interactions energy: -1605.791 where: short stacking energy: -684.171 Base-Backbone interact. energy: -1.506 local terms energy: -705.569214 where: bonds (distance) C4'-P energy: -132.714 bonds (distance) P-C4' energy: -174.306 flat angles C4'-P-C4' energy: -161.786 flat angles P-C4'-P energy: -85.985 tors. eta vs tors. theta energy: -150.778 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: 3 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1885.444224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.444224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.444224 (E_RNA) where: Base-Base interactions energy: -1262.077 where: short stacking energy: -541.515 Base-Backbone interact. energy: 9.897 local terms energy: -633.264932 where: bonds (distance) C4'-P energy: -145.512 bonds (distance) P-C4' energy: -144.048 flat angles C4'-P-C4' energy: -159.936 flat angles P-C4'-P energy: -73.162 tors. eta vs tors. theta energy: -110.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1610.062076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.062076 (E_RNA) where: Base-Base interactions energy: -1069.436 where: short stacking energy: -513.591 Base-Backbone interact. energy: 1.580 local terms energy: -542.205542 where: bonds (distance) C4'-P energy: -120.814 bonds (distance) P-C4' energy: -137.810 flat angles C4'-P-C4' energy: -142.475 flat angles P-C4'-P energy: -82.372 tors. eta vs tors. theta energy: -58.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3446.562238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.562238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.562238 (E_RNA) where: Base-Base interactions energy: -2439.690 where: short stacking energy: -1051.518 Base-Backbone interact. energy: -6.273 local terms energy: -1000.599681 where: bonds (distance) C4'-P energy: -172.859 bonds (distance) P-C4' energy: -169.647 flat angles C4'-P-C4' energy: -218.140 flat angles P-C4'-P energy: -144.981 tors. eta vs tors. theta energy: -294.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3269.064353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.064353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.064353 (E_RNA) where: Base-Base interactions energy: -2339.798 where: short stacking energy: -945.482 Base-Backbone interact. energy: -5.306 local terms energy: -923.960254 where: bonds (distance) C4'-P energy: -174.056 bonds (distance) P-C4' energy: -169.059 flat angles C4'-P-C4' energy: -186.708 flat angles P-C4'-P energy: -141.061 tors. eta vs tors. theta energy: -253.076 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: 339 Temperature: 1.000000 Total energy: -3184.814460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.814460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.814460 (E_RNA) where: Base-Base interactions energy: -2242.200 where: short stacking energy: -915.706 Base-Backbone interact. energy: -1.255 local terms energy: -941.359798 where: bonds (distance) C4'-P energy: -171.307 bonds (distance) P-C4' energy: -187.808 flat angles C4'-P-C4' energy: -221.040 flat angles P-C4'-P energy: -116.734 tors. eta vs tors. theta energy: -244.471 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: 339 Temperature: 1.050000 Total energy: -3076.525054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.525054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.525054 (E_RNA) where: Base-Base interactions energy: -2220.751 where: short stacking energy: -922.520 Base-Backbone interact. energy: -3.293 local terms energy: -852.480954 where: bonds (distance) C4'-P energy: -150.828 bonds (distance) P-C4' energy: -165.297 flat angles C4'-P-C4' energy: -185.468 flat angles P-C4'-P energy: -123.021 tors. eta vs tors. theta energy: -227.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2938.301986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.301986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.301986 (E_RNA) where: Base-Base interactions energy: -2071.131 where: short stacking energy: -875.450 Base-Backbone interact. energy: 7.221 local terms energy: -874.391998 where: bonds (distance) C4'-P energy: -161.120 bonds (distance) P-C4' energy: -172.041 flat angles C4'-P-C4' energy: -201.319 flat angles P-C4'-P energy: -125.258 tors. eta vs tors. theta energy: -214.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2795.586553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.586553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.586553 (E_RNA) where: Base-Base interactions energy: -1953.146 where: short stacking energy: -840.278 Base-Backbone interact. energy: -5.499 local terms energy: -836.942238 where: bonds (distance) C4'-P energy: -155.046 bonds (distance) P-C4' energy: -144.776 flat angles C4'-P-C4' energy: -185.586 flat angles P-C4'-P energy: -133.561 tors. eta vs tors. theta energy: -217.973 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: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2547.430034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.430034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.430034 (E_RNA) where: Base-Base interactions energy: -1752.468 where: short stacking energy: -731.644 Base-Backbone interact. energy: -2.557 local terms energy: -792.404551 where: bonds (distance) C4'-P energy: -141.430 bonds (distance) P-C4' energy: -175.989 flat angles C4'-P-C4' energy: -187.209 flat angles P-C4'-P energy: -116.522 tors. eta vs tors. theta energy: -171.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -2218.920683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.920683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.920683 (E_RNA) where: Base-Base interactions energy: -1535.994 where: short stacking energy: -645.689 Base-Backbone interact. energy: 4.731 local terms energy: -687.657420 where: bonds (distance) C4'-P energy: -142.350 bonds (distance) P-C4' energy: -150.129 flat angles C4'-P-C4' energy: -152.101 flat angles P-C4'-P energy: -105.997 tors. eta vs tors. theta energy: -137.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -2020.334986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.334986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.334986 (E_RNA) where: Base-Base interactions energy: -1361.048 where: short stacking energy: -617.608 Base-Backbone interact. energy: 3.908 local terms energy: -663.195157 where: bonds (distance) C4'-P energy: -146.878 bonds (distance) P-C4' energy: -143.481 flat angles C4'-P-C4' energy: -152.432 flat angles P-C4'-P energy: -91.206 tors. eta vs tors. theta energy: -129.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1479.177847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.177847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.177847 (E_RNA) where: Base-Base interactions energy: -870.485 where: short stacking energy: -433.648 Base-Backbone interact. energy: 8.504 local terms energy: -617.197083 where: bonds (distance) C4'-P energy: -142.416 bonds (distance) P-C4' energy: -156.321 flat angles C4'-P-C4' energy: -149.816 flat angles P-C4'-P energy: -87.734 tors. eta vs tors. theta energy: -80.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3453.859380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3453.859380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3453.859380 (E_RNA) where: Base-Base interactions energy: -2452.291 where: short stacking energy: -1031.199 Base-Backbone interact. energy: 2.334 local terms energy: -1003.901525 where: bonds (distance) C4'-P energy: -178.268 bonds (distance) P-C4' energy: -179.943 flat angles C4'-P-C4' energy: -211.575 flat angles P-C4'-P energy: -145.838 tors. eta vs tors. theta energy: -288.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3243.914046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.914046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.914046 (E_RNA) where: Base-Base interactions energy: -2325.972 where: short stacking energy: -969.002 Base-Backbone interact. energy: 1.351 local terms energy: -919.292959 where: bonds (distance) C4'-P energy: -155.286 bonds (distance) P-C4' energy: -160.540 flat angles C4'-P-C4' energy: -204.835 flat angles P-C4'-P energy: -138.828 tors. eta vs tors. theta energy: -259.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -3117.818148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.818148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.818148 (E_RNA) where: Base-Base interactions energy: -2232.764 where: short stacking energy: -930.498 Base-Backbone interact. energy: -6.168 local terms energy: -878.885575 where: bonds (distance) C4'-P energy: -150.091 bonds (distance) P-C4' energy: -169.258 flat angles C4'-P-C4' energy: -205.115 flat angles P-C4'-P energy: -106.830 tors. eta vs tors. theta energy: -247.591 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: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -3044.525162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.525162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.525162 (E_RNA) where: Base-Base interactions energy: -2175.424 where: short stacking energy: -893.594 Base-Backbone interact. energy: 4.280 local terms energy: -873.381064 where: bonds (distance) C4'-P energy: -164.949 bonds (distance) P-C4' energy: -178.008 flat angles C4'-P-C4' energy: -206.738 flat angles P-C4'-P energy: -111.039 tors. eta vs tors. theta energy: -212.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2905.127593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.127593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.127593 (E_RNA) where: Base-Base interactions energy: -2027.209 where: short stacking energy: -848.676 Base-Backbone interact. energy: 0.624 local terms energy: -878.542742 where: bonds (distance) C4'-P energy: -158.321 bonds (distance) P-C4' energy: -164.145 flat angles C4'-P-C4' energy: -193.560 flat angles P-C4'-P energy: -138.032 tors. eta vs tors. theta energy: -224.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2817.535657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.535657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.535657 (E_RNA) where: Base-Base interactions energy: -1993.046 where: short stacking energy: -815.331 Base-Backbone interact. energy: -3.962 local terms energy: -820.527118 where: bonds (distance) C4'-P energy: -159.654 bonds (distance) P-C4' energy: -156.376 flat angles C4'-P-C4' energy: -167.154 flat angles P-C4'-P energy: -109.150 tors. eta vs tors. theta energy: -228.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2496.081126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.081126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.081126 (E_RNA) where: Base-Base interactions energy: -1723.731 where: short stacking energy: -738.711 Base-Backbone interact. energy: -2.690 local terms energy: -769.659929 where: bonds (distance) C4'-P energy: -144.526 bonds (distance) P-C4' energy: -167.750 flat angles C4'-P-C4' energy: -171.000 flat angles P-C4'-P energy: -102.756 tors. eta vs tors. theta energy: -183.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -2237.483377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.483377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.483377 (E_RNA) where: Base-Base interactions energy: -1510.375 where: short stacking energy: -664.867 Base-Backbone interact. energy: -4.099 local terms energy: -723.009369 where: bonds (distance) C4'-P energy: -141.968 bonds (distance) P-C4' energy: -167.584 flat angles C4'-P-C4' energy: -165.652 flat angles P-C4'-P energy: -103.783 tors. eta vs tors. theta energy: -144.024 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: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1978.649683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.649683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.649683 (E_RNA) where: Base-Base interactions energy: -1351.746 where: short stacking energy: -584.665 Base-Backbone interact. energy: 0.181 local terms energy: -627.084831 where: bonds (distance) C4'-P energy: -144.502 bonds (distance) P-C4' energy: -148.285 flat angles C4'-P-C4' energy: -141.822 flat angles P-C4'-P energy: -91.787 tors. eta vs tors. theta energy: -100.689 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: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1473.665253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.665253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.665253 (E_RNA) where: Base-Base interactions energy: -916.059 where: short stacking energy: -418.883 Base-Backbone interact. energy: 6.221 local terms energy: -563.827700 where: bonds (distance) C4'-P energy: -153.107 bonds (distance) P-C4' energy: -162.232 flat angles C4'-P-C4' energy: -129.836 flat angles P-C4'-P energy: -81.796 tors. eta vs tors. theta energy: -36.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3454.890529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.890529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.890529 (E_RNA) where: Base-Base interactions energy: -2458.406 where: short stacking energy: -1031.186 Base-Backbone interact. energy: -2.849 local terms energy: -993.635419 where: bonds (distance) C4'-P energy: -180.017 bonds (distance) P-C4' energy: -180.785 flat angles C4'-P-C4' energy: -208.913 flat angles P-C4'-P energy: -146.128 tors. eta vs tors. theta energy: -277.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3290.448915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.448915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.448915 (E_RNA) where: Base-Base interactions energy: -2318.575 where: short stacking energy: -960.457 Base-Backbone interact. energy: 2.146 local terms energy: -974.019779 where: bonds (distance) C4'-P energy: -173.887 bonds (distance) P-C4' energy: -185.564 flat angles C4'-P-C4' energy: -208.601 flat angles P-C4'-P energy: -148.611 tors. eta vs tors. theta energy: -257.356 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: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -3099.730419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.730419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.730419 (E_RNA) where: Base-Base interactions energy: -2247.585 where: short stacking energy: -892.869 Base-Backbone interact. energy: -1.477 local terms energy: -850.668240 where: bonds (distance) C4'-P energy: -151.580 bonds (distance) P-C4' energy: -130.838 flat angles C4'-P-C4' energy: -204.637 flat angles P-C4'-P energy: -137.468 tors. eta vs tors. theta energy: -226.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -3053.200845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.200845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.200845 (E_RNA) where: Base-Base interactions energy: -2186.743 where: short stacking energy: -922.648 Base-Backbone interact. energy: 1.551 local terms energy: -868.009302 where: bonds (distance) C4'-P energy: -150.894 bonds (distance) P-C4' energy: -152.884 flat angles C4'-P-C4' energy: -193.806 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -240.796 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: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2872.835239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.835239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.835239 (E_RNA) where: Base-Base interactions energy: -2028.287 where: short stacking energy: -846.733 Base-Backbone interact. energy: 2.877 local terms energy: -847.425399 where: bonds (distance) C4'-P energy: -158.740 bonds (distance) P-C4' energy: -142.850 flat angles C4'-P-C4' energy: -193.409 flat angles P-C4'-P energy: -133.082 tors. eta vs tors. theta energy: -219.345 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: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2770.821133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.821133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.821133 (E_RNA) where: Base-Base interactions energy: -1960.397 where: short stacking energy: -806.763 Base-Backbone interact. energy: -2.132 local terms energy: -808.292816 where: bonds (distance) C4'-P energy: -157.148 bonds (distance) P-C4' energy: -147.938 flat angles C4'-P-C4' energy: -177.267 flat angles P-C4'-P energy: -113.640 tors. eta vs tors. theta energy: -212.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2520.002449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.002449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.002449 (E_RNA) where: Base-Base interactions energy: -1746.277 where: short stacking energy: -768.999 Base-Backbone interact. energy: 12.743 local terms energy: -786.468625 where: bonds (distance) C4'-P energy: -142.737 bonds (distance) P-C4' energy: -169.055 flat angles C4'-P-C4' energy: -168.084 flat angles P-C4'-P energy: -119.730 tors. eta vs tors. theta energy: -186.863 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: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -2242.611745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.611745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.611745 (E_RNA) where: Base-Base interactions energy: -1564.691 where: short stacking energy: -672.517 Base-Backbone interact. energy: -1.221 local terms energy: -676.700015 where: bonds (distance) C4'-P energy: -132.256 bonds (distance) P-C4' energy: -136.285 flat angles C4'-P-C4' energy: -154.719 flat angles P-C4'-P energy: -104.737 tors. eta vs tors. theta energy: -148.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -2032.889301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.889301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.889301 (E_RNA) where: Base-Base interactions energy: -1333.839 where: short stacking energy: -577.741 Base-Backbone interact. energy: -3.189 local terms energy: -695.861239 where: bonds (distance) C4'-P energy: -163.192 bonds (distance) P-C4' energy: -155.239 flat angles C4'-P-C4' energy: -168.512 flat angles P-C4'-P energy: -86.756 tors. eta vs tors. theta energy: -122.162 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: 341 Temperature: 1.350000 Total energy: -1493.425946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.425946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.425946 (E_RNA) where: Base-Base interactions energy: -944.925 where: short stacking energy: -448.626 Base-Backbone interact. energy: 1.959 local terms energy: -550.459930 where: bonds (distance) C4'-P energy: -146.713 bonds (distance) P-C4' energy: -137.407 flat angles C4'-P-C4' energy: -131.157 flat angles P-C4'-P energy: -80.191 tors. eta vs tors. theta energy: -54.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3458.508612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.508612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.508612 (E_RNA) where: Base-Base interactions energy: -2432.377 where: short stacking energy: -1023.075 Base-Backbone interact. energy: -6.740 local terms energy: -1019.391637 where: bonds (distance) C4'-P energy: -175.320 bonds (distance) P-C4' energy: -203.290 flat angles C4'-P-C4' energy: -213.992 flat angles P-C4'-P energy: -144.248 tors. eta vs tors. theta energy: -282.542 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: 6 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -3337.017017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.017017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.017017 (E_RNA) where: Base-Base interactions energy: -2343.033 where: short stacking energy: -972.458 Base-Backbone interact. energy: -6.079 local terms energy: -987.905583 where: bonds (distance) C4'-P energy: -171.617 bonds (distance) P-C4' energy: -194.770 flat angles C4'-P-C4' energy: -218.876 flat angles P-C4'-P energy: -136.966 tors. eta vs tors. theta energy: -265.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -3122.973422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.973422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.973422 (E_RNA) where: Base-Base interactions energy: -2191.717 where: short stacking energy: -929.264 Base-Backbone interact. energy: 0.856 local terms energy: -932.111602 where: bonds (distance) C4'-P energy: -188.351 bonds (distance) P-C4' energy: -163.444 flat angles C4'-P-C4' energy: -212.718 flat angles P-C4'-P energy: -126.483 tors. eta vs tors. theta energy: -241.117 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: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -3065.902353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.902353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.902353 (E_RNA) where: Base-Base interactions energy: -2194.017 where: short stacking energy: -911.518 Base-Backbone interact. energy: 0.245 local terms energy: -872.130270 where: bonds (distance) C4'-P energy: -155.496 bonds (distance) P-C4' energy: -168.390 flat angles C4'-P-C4' energy: -202.180 flat angles P-C4'-P energy: -112.586 tors. eta vs tors. theta energy: -233.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2949.839072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.839072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.839072 (E_RNA) where: Base-Base interactions energy: -2083.397 where: short stacking energy: -879.830 Base-Backbone interact. energy: -4.320 local terms energy: -862.121719 where: bonds (distance) C4'-P energy: -158.653 bonds (distance) P-C4' energy: -169.756 flat angles C4'-P-C4' energy: -189.649 flat angles P-C4'-P energy: -113.444 tors. eta vs tors. theta energy: -230.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2851.074024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.074024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.074024 (E_RNA) where: Base-Base interactions energy: -1998.048 where: short stacking energy: -868.223 Base-Backbone interact. energy: -1.882 local terms energy: -851.144155 where: bonds (distance) C4'-P energy: -144.080 bonds (distance) P-C4' energy: -163.309 flat angles C4'-P-C4' energy: -185.446 flat angles P-C4'-P energy: -120.833 tors. eta vs tors. theta energy: -237.476 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: 1 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2579.845372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.845372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.845372 (E_RNA) where: Base-Base interactions energy: -1792.856 where: short stacking energy: -722.519 Base-Backbone interact. energy: -0.076 local terms energy: -786.913478 where: bonds (distance) C4'-P energy: -154.158 bonds (distance) P-C4' energy: -159.125 flat angles C4'-P-C4' energy: -161.184 flat angles P-C4'-P energy: -130.855 tors. eta vs tors. theta energy: -181.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -2177.656568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.656568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.656568 (E_RNA) where: Base-Base interactions energy: -1486.343 where: short stacking energy: -628.231 Base-Backbone interact. energy: 0.726 local terms energy: -692.039638 where: bonds (distance) C4'-P energy: -154.271 bonds (distance) P-C4' energy: -148.485 flat angles C4'-P-C4' energy: -152.429 flat angles P-C4'-P energy: -99.794 tors. eta vs tors. theta energy: -137.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -2004.331209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.331209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.331209 (E_RNA) where: Base-Base interactions energy: -1371.219 where: short stacking energy: -612.958 Base-Backbone interact. energy: 4.600 local terms energy: -637.712110 where: bonds (distance) C4'-P energy: -152.697 bonds (distance) P-C4' energy: -149.392 flat angles C4'-P-C4' energy: -124.074 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -133.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1500.013603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.013603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.013603 (E_RNA) where: Base-Base interactions energy: -903.800 where: short stacking energy: -413.602 Base-Backbone interact. energy: 2.149 local terms energy: -598.363087 where: bonds (distance) C4'-P energy: -145.262 bonds (distance) P-C4' energy: -160.197 flat angles C4'-P-C4' energy: -129.535 flat angles P-C4'-P energy: -103.337 tors. eta vs tors. theta energy: -60.032 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: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3464.412495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.412495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.412495 (E_RNA) where: Base-Base interactions energy: -2440.605 where: short stacking energy: -1059.595 Base-Backbone interact. energy: -6.768 local terms energy: -1017.040279 where: bonds (distance) C4'-P energy: -171.139 bonds (distance) P-C4' energy: -198.549 flat angles C4'-P-C4' energy: -213.673 flat angles P-C4'-P energy: -145.441 tors. eta vs tors. theta energy: -288.238 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: 2, replica: 6 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -3320.847549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.847549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.847549 (E_RNA) where: Base-Base interactions energy: -2369.132 where: short stacking energy: -1005.565 Base-Backbone interact. energy: -5.261 local terms energy: -946.454928 where: bonds (distance) C4'-P energy: -152.924 bonds (distance) P-C4' energy: -167.798 flat angles C4'-P-C4' energy: -213.022 flat angles P-C4'-P energy: -132.816 tors. eta vs tors. theta energy: -279.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -3180.128785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.128785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.128785 (E_RNA) where: Base-Base interactions energy: -2235.730 where: short stacking energy: -938.077 Base-Backbone interact. energy: -1.050 local terms energy: -943.348794 where: bonds (distance) C4'-P energy: -160.394 bonds (distance) P-C4' energy: -193.675 flat angles C4'-P-C4' energy: -208.064 flat angles P-C4'-P energy: -123.400 tors. eta vs tors. theta energy: -257.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -3091.375915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.375915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.375915 (E_RNA) where: Base-Base interactions energy: -2201.136 where: short stacking energy: -926.298 Base-Backbone interact. energy: -5.619 local terms energy: -884.620289 where: bonds (distance) C4'-P energy: -177.784 bonds (distance) P-C4' energy: -161.794 flat angles C4'-P-C4' energy: -185.309 flat angles P-C4'-P energy: -120.220 tors. eta vs tors. theta energy: -239.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2992.886786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.886786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.886786 (E_RNA) where: Base-Base interactions energy: -2117.947 where: short stacking energy: -858.454 Base-Backbone interact. energy: -3.091 local terms energy: -871.848859 where: bonds (distance) C4'-P energy: -160.628 bonds (distance) P-C4' energy: -172.151 flat angles C4'-P-C4' energy: -190.197 flat angles P-C4'-P energy: -128.575 tors. eta vs tors. theta energy: -220.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2784.105020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.105020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.105020 (E_RNA) where: Base-Base interactions energy: -1945.480 where: short stacking energy: -845.744 Base-Backbone interact. energy: -1.472 local terms energy: -837.153244 where: bonds (distance) C4'-P energy: -150.666 bonds (distance) P-C4' energy: -156.012 flat angles C4'-P-C4' energy: -200.183 flat angles P-C4'-P energy: -110.416 tors. eta vs tors. theta energy: -219.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2599.251495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.251495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.251495 (E_RNA) where: Base-Base interactions energy: -1824.931 where: short stacking energy: -770.485 Base-Backbone interact. energy: 0.856 local terms energy: -775.176923 where: bonds (distance) C4'-P energy: -136.439 bonds (distance) P-C4' energy: -162.493 flat angles C4'-P-C4' energy: -176.283 flat angles P-C4'-P energy: -109.104 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: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -2201.778181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2201.778181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2201.778181 (E_RNA) where: Base-Base interactions energy: -1524.305 where: short stacking energy: -682.492 Base-Backbone interact. energy: -2.458 local terms energy: -675.015233 where: bonds (distance) C4'-P energy: -131.387 bonds (distance) P-C4' energy: -150.188 flat angles C4'-P-C4' energy: -183.285 flat angles P-C4'-P energy: -65.421 tors. eta vs tors. theta energy: -144.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -2065.650954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.650954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.650954 (E_RNA) where: Base-Base interactions energy: -1431.031 where: short stacking energy: -586.067 Base-Backbone interact. energy: 7.157 local terms energy: -641.776316 where: bonds (distance) C4'-P energy: -144.623 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -161.057 flat angles P-C4'-P energy: -79.214 tors. eta vs tors. theta energy: -107.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1489.435183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.435183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.435183 (E_RNA) where: Base-Base interactions energy: -954.790 where: short stacking energy: -446.481 Base-Backbone interact. energy: -0.472 local terms energy: -534.173369 where: bonds (distance) C4'-P energy: -130.635 bonds (distance) P-C4' energy: -147.589 flat angles C4'-P-C4' energy: -139.013 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -36.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3462.444743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.444743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.444743 (E_RNA) where: Base-Base interactions energy: -2449.394 where: short stacking energy: -1052.502 Base-Backbone interact. energy: -5.394 local terms energy: -1007.656425 where: bonds (distance) C4'-P energy: -182.014 bonds (distance) P-C4' energy: -189.617 flat angles C4'-P-C4' energy: -207.853 flat angles P-C4'-P energy: -132.525 tors. eta vs tors. theta energy: -295.648 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: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -3318.381419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.381419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.381419 (E_RNA) where: Base-Base interactions energy: -2368.801 where: short stacking energy: -950.376 Base-Backbone interact. energy: -6.532 local terms energy: -943.048029 where: bonds (distance) C4'-P energy: -162.260 bonds (distance) P-C4' energy: -191.764 flat angles C4'-P-C4' energy: -203.056 flat angles P-C4'-P energy: -129.133 tors. eta vs tors. theta energy: -256.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -3165.149375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.149375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.149375 (E_RNA) where: Base-Base interactions energy: -2257.081 where: short stacking energy: -952.584 Base-Backbone interact. energy: -7.731 local terms energy: -900.337329 where: bonds (distance) C4'-P energy: -166.292 bonds (distance) P-C4' energy: -172.598 flat angles C4'-P-C4' energy: -194.290 flat angles P-C4'-P energy: -137.384 tors. eta vs tors. theta energy: -229.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -3069.651148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.651148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.651148 (E_RNA) where: Base-Base interactions energy: -2169.924 where: short stacking energy: -873.959 Base-Backbone interact. energy: -3.939 local terms energy: -895.788120 where: bonds (distance) C4'-P energy: -172.490 bonds (distance) P-C4' energy: -163.147 flat angles C4'-P-C4' energy: -202.436 flat angles P-C4'-P energy: -119.361 tors. eta vs tors. theta energy: -238.353 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: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2952.207484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.207484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.207484 (E_RNA) where: Base-Base interactions energy: -2104.524 where: short stacking energy: -900.071 Base-Backbone interact. energy: -1.641 local terms energy: -846.042913 where: bonds (distance) C4'-P energy: -144.907 bonds (distance) P-C4' energy: -162.081 flat angles C4'-P-C4' energy: -185.979 flat angles P-C4'-P energy: -126.144 tors. eta vs tors. theta energy: -226.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2736.723965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.723965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.723965 (E_RNA) where: Base-Base interactions energy: -1913.081 where: short stacking energy: -796.812 Base-Backbone interact. energy: -3.403 local terms energy: -820.239942 where: bonds (distance) C4'-P energy: -157.817 bonds (distance) P-C4' energy: -155.648 flat angles C4'-P-C4' energy: -194.070 flat angles P-C4'-P energy: -119.951 tors. eta vs tors. theta energy: -192.754 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: 1 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2517.504564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.504564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.504564 (E_RNA) where: Base-Base interactions energy: -1752.409 where: short stacking energy: -737.000 Base-Backbone interact. energy: -2.842 local terms energy: -762.253578 where: bonds (distance) C4'-P energy: -144.506 bonds (distance) P-C4' energy: -138.658 flat angles C4'-P-C4' energy: -186.860 flat angles P-C4'-P energy: -94.836 tors. eta vs tors. theta energy: -197.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -2249.325225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.325225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.325225 (E_RNA) where: Base-Base interactions energy: -1545.429 where: short stacking energy: -702.364 Base-Backbone interact. energy: -4.116 local terms energy: -699.780565 where: bonds (distance) C4'-P energy: -123.482 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -168.266 flat angles P-C4'-P energy: -103.495 tors. eta vs tors. theta energy: -147.252 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: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1962.570288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.570288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.570288 (E_RNA) where: Base-Base interactions energy: -1336.445 where: short stacking energy: -550.464 Base-Backbone interact. energy: -0.612 local terms energy: -625.512672 where: bonds (distance) C4'-P energy: -124.190 bonds (distance) P-C4' energy: -180.371 flat angles C4'-P-C4' energy: -143.067 flat angles P-C4'-P energy: -74.410 tors. eta vs tors. theta energy: -103.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1453.444979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.444979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.444979 (E_RNA) where: Base-Base interactions energy: -916.253 where: short stacking energy: -421.737 Base-Backbone interact. energy: 4.082 local terms energy: -541.273872 where: bonds (distance) C4'-P energy: -139.529 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -118.909 flat angles P-C4'-P energy: -96.876 tors. eta vs tors. theta energy: -33.445 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: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3469.081541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.081541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.081541 (E_RNA) where: Base-Base interactions energy: -2463.042 where: short stacking energy: -1055.172 Base-Backbone interact. energy: -5.982 local terms energy: -1000.056866 where: bonds (distance) C4'-P energy: -172.204 bonds (distance) P-C4' energy: -192.449 flat angles C4'-P-C4' energy: -215.670 flat angles P-C4'-P energy: -128.436 tors. eta vs tors. theta energy: -291.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3340.176006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3340.176006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3340.176006 (E_RNA) where: Base-Base interactions energy: -2400.461 where: short stacking energy: -990.832 Base-Backbone interact. energy: -4.483 local terms energy: -935.232016 where: bonds (distance) C4'-P energy: -175.377 bonds (distance) P-C4' energy: -166.794 flat angles C4'-P-C4' energy: -212.262 flat angles P-C4'-P energy: -126.899 tors. eta vs tors. theta energy: -253.901 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: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -3141.397661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.397661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.397661 (E_RNA) where: Base-Base interactions energy: -2264.932 where: short stacking energy: -919.331 Base-Backbone interact. energy: -4.607 local terms energy: -871.858353 where: bonds (distance) C4'-P energy: -152.310 bonds (distance) P-C4' energy: -179.631 flat angles C4'-P-C4' energy: -190.216 flat angles P-C4'-P energy: -120.960 tors. eta vs tors. theta energy: -228.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -3064.735980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.735980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.735980 (E_RNA) where: Base-Base interactions energy: -2187.654 where: short stacking energy: -913.895 Base-Backbone interact. energy: -0.854 local terms energy: -876.227329 where: bonds (distance) C4'-P energy: -157.595 bonds (distance) P-C4' energy: -176.380 flat angles C4'-P-C4' energy: -191.677 flat angles P-C4'-P energy: -119.954 tors. eta vs tors. theta energy: -230.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2933.842553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.842553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.842553 (E_RNA) where: Base-Base interactions energy: -2080.824 where: short stacking energy: -873.064 Base-Backbone interact. energy: -4.751 local terms energy: -848.268321 where: bonds (distance) C4'-P energy: -169.635 bonds (distance) P-C4' energy: -152.042 flat angles C4'-P-C4' energy: -191.523 flat angles P-C4'-P energy: -112.221 tors. eta vs tors. theta energy: -222.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2724.113103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.113103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.113103 (E_RNA) where: Base-Base interactions energy: -1883.517 where: short stacking energy: -809.692 Base-Backbone interact. energy: -2.826 local terms energy: -837.770226 where: bonds (distance) C4'-P energy: -168.285 bonds (distance) P-C4' energy: -157.707 flat angles C4'-P-C4' energy: -183.273 flat angles P-C4'-P energy: -110.644 tors. eta vs tors. theta energy: -217.861 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: 1 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2568.282264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.282264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.282264 (E_RNA) where: Base-Base interactions energy: -1798.154 where: short stacking energy: -803.110 Base-Backbone interact. energy: -2.081 local terms energy: -768.046560 where: bonds (distance) C4'-P energy: -126.224 bonds (distance) P-C4' energy: -151.860 flat angles C4'-P-C4' energy: -179.569 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -202.628 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: 345 Temperature: 1.250000 Total energy: -2206.200838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2206.200838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2206.200838 (E_RNA) where: Base-Base interactions energy: -1506.612 where: short stacking energy: -636.325 Base-Backbone interact. energy: 6.960 local terms energy: -706.549146 where: bonds (distance) C4'-P energy: -159.394 bonds (distance) P-C4' energy: -167.559 flat angles C4'-P-C4' energy: -159.315 flat angles P-C4'-P energy: -91.270 tors. eta vs tors. theta energy: -129.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -2057.905170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.905170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.905170 (E_RNA) where: Base-Base interactions energy: -1386.336 where: short stacking energy: -583.400 Base-Backbone interact. energy: 0.834 local terms energy: -672.402820 where: bonds (distance) C4'-P energy: -136.764 bonds (distance) P-C4' energy: -150.598 flat angles C4'-P-C4' energy: -157.526 flat angles P-C4'-P energy: -109.460 tors. eta vs tors. theta energy: -118.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1437.817353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.817353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.817353 (E_RNA) where: Base-Base interactions energy: -885.210 where: short stacking energy: -432.352 Base-Backbone interact. energy: 1.587 local terms energy: -554.194011 where: bonds (distance) C4'-P energy: -146.429 bonds (distance) P-C4' energy: -143.990 flat angles C4'-P-C4' energy: -134.706 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -43.297 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: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3482.220898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.220898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.220898 (E_RNA) where: Base-Base interactions energy: -2472.295 where: short stacking energy: -1055.632 Base-Backbone interact. energy: -3.932 local terms energy: -1005.993946 where: bonds (distance) C4'-P energy: -175.508 bonds (distance) P-C4' energy: -187.353 flat angles C4'-P-C4' energy: -213.926 flat angles P-C4'-P energy: -134.184 tors. eta vs tors. theta energy: -295.023 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: 6 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3294.630826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.630826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.630826 (E_RNA) where: Base-Base interactions energy: -2344.531 where: short stacking energy: -962.256 Base-Backbone interact. energy: -4.953 local terms energy: -945.146900 where: bonds (distance) C4'-P energy: -165.792 bonds (distance) P-C4' energy: -182.879 flat angles C4'-P-C4' energy: -205.456 flat angles P-C4'-P energy: -129.103 tors. eta vs tors. theta energy: -261.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -3166.682425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.682425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.682425 (E_RNA) where: Base-Base interactions energy: -2264.668 where: short stacking energy: -933.354 Base-Backbone interact. energy: -4.348 local terms energy: -897.667022 where: bonds (distance) C4'-P energy: -177.594 bonds (distance) P-C4' energy: -172.039 flat angles C4'-P-C4' energy: -189.130 flat angles P-C4'-P energy: -122.002 tors. eta vs tors. theta energy: -236.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -3027.134731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.134731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.134731 (E_RNA) where: Base-Base interactions energy: -2143.942 where: short stacking energy: -892.983 Base-Backbone interact. energy: -6.172 local terms energy: -877.021022 where: bonds (distance) C4'-P energy: -160.857 bonds (distance) P-C4' energy: -174.095 flat angles C4'-P-C4' energy: -181.493 flat angles P-C4'-P energy: -127.621 tors. eta vs tors. theta energy: -232.955 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: 5, replica: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2900.387812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.387812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.387812 (E_RNA) where: Base-Base interactions energy: -2028.020 where: short stacking energy: -843.153 Base-Backbone interact. energy: 8.915 local terms energy: -881.283024 where: bonds (distance) C4'-P energy: -177.549 bonds (distance) P-C4' energy: -189.298 flat angles C4'-P-C4' energy: -186.239 flat angles P-C4'-P energy: -117.838 tors. eta vs tors. theta energy: -210.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2750.279298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.279298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.279298 (E_RNA) where: Base-Base interactions energy: -1882.268 where: short stacking energy: -829.766 Base-Backbone interact. energy: -2.870 local terms energy: -865.141088 where: bonds (distance) C4'-P energy: -179.128 bonds (distance) P-C4' energy: -161.737 flat angles C4'-P-C4' energy: -185.131 flat angles P-C4'-P energy: -106.229 tors. eta vs tors. theta energy: -232.917 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: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2574.046449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.046449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.046449 (E_RNA) where: Base-Base interactions energy: -1760.207 where: short stacking energy: -777.531 Base-Backbone interact. energy: -1.123 local terms energy: -812.716744 where: bonds (distance) C4'-P energy: -156.552 bonds (distance) P-C4' energy: -158.601 flat angles C4'-P-C4' energy: -189.692 flat angles P-C4'-P energy: -114.997 tors. eta vs tors. theta energy: -192.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -2282.919170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.919170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.919170 (E_RNA) where: Base-Base interactions energy: -1553.315 where: short stacking energy: -687.624 Base-Backbone interact. energy: -1.903 local terms energy: -727.701053 where: bonds (distance) C4'-P energy: -131.128 bonds (distance) P-C4' energy: -168.245 flat angles C4'-P-C4' energy: -163.507 flat angles P-C4'-P energy: -108.883 tors. eta vs tors. theta energy: -155.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -2023.173049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.173049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.173049 (E_RNA) where: Base-Base interactions energy: -1347.222 where: short stacking energy: -575.021 Base-Backbone interact. energy: -3.825 local terms energy: -672.126452 where: bonds (distance) C4'-P energy: -128.624 bonds (distance) P-C4' energy: -156.042 flat angles C4'-P-C4' energy: -163.049 flat angles P-C4'-P energy: -100.260 tors. eta vs tors. theta energy: -124.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1425.068305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.068305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.068305 (E_RNA) where: Base-Base interactions energy: -886.905 where: short stacking energy: -411.507 Base-Backbone interact. energy: 6.428 local terms energy: -544.591126 where: bonds (distance) C4'-P energy: -141.034 bonds (distance) P-C4' energy: -139.565 flat angles C4'-P-C4' energy: -156.010 flat angles P-C4'-P energy: -87.542 tors. eta vs tors. theta energy: -20.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3441.976942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.976942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.976942 (E_RNA) where: Base-Base interactions energy: -2430.085 where: short stacking energy: -1043.277 Base-Backbone interact. energy: -7.675 local terms energy: -1004.217049 where: bonds (distance) C4'-P energy: -204.199 bonds (distance) P-C4' energy: -169.314 flat angles C4'-P-C4' energy: -211.220 flat angles P-C4'-P energy: -126.972 tors. eta vs tors. theta energy: -292.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -3315.153015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.153015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.153015 (E_RNA) where: Base-Base interactions energy: -2366.498 where: short stacking energy: -958.014 Base-Backbone interact. energy: -4.808 local terms energy: -943.846588 where: bonds (distance) C4'-P energy: -163.528 bonds (distance) P-C4' energy: -174.919 flat angles C4'-P-C4' energy: -215.740 flat angles P-C4'-P energy: -130.911 tors. eta vs tors. theta energy: -258.749 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: 3, replica: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -3179.958950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3179.958950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3179.958950 (E_RNA) where: Base-Base interactions energy: -2255.835 where: short stacking energy: -916.439 Base-Backbone interact. energy: -4.664 local terms energy: -919.459557 where: bonds (distance) C4'-P energy: -188.522 bonds (distance) P-C4' energy: -169.947 flat angles C4'-P-C4' energy: -195.432 flat angles P-C4'-P energy: -132.388 tors. eta vs tors. theta energy: -233.172 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: 347 Temperature: 1.050000 Total energy: -3026.928208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.928208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.928208 (E_RNA) where: Base-Base interactions energy: -2183.431 where: short stacking energy: -927.244 Base-Backbone interact. energy: -0.101 local terms energy: -843.396068 where: bonds (distance) C4'-P energy: -157.657 bonds (distance) P-C4' energy: -169.252 flat angles C4'-P-C4' energy: -189.187 flat angles P-C4'-P energy: -102.863 tors. eta vs tors. theta energy: -224.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2894.905628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.905628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.905628 (E_RNA) where: Base-Base interactions energy: -2075.523 where: short stacking energy: -856.315 Base-Backbone interact. energy: 9.274 local terms energy: -828.656856 where: bonds (distance) C4'-P energy: -153.058 bonds (distance) P-C4' energy: -172.890 flat angles C4'-P-C4' energy: -191.464 flat angles P-C4'-P energy: -111.145 tors. eta vs tors. theta energy: -200.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2727.784031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.784031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.784031 (E_RNA) where: Base-Base interactions energy: -1902.302 where: short stacking energy: -853.555 Base-Backbone interact. energy: 3.808 local terms energy: -829.289364 where: bonds (distance) C4'-P energy: -136.699 bonds (distance) P-C4' energy: -163.057 flat angles C4'-P-C4' energy: -173.096 flat angles P-C4'-P energy: -128.492 tors. eta vs tors. theta energy: -227.945 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: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2501.761273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.761273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.761273 (E_RNA) where: Base-Base interactions energy: -1723.383 where: short stacking energy: -777.608 Base-Backbone interact. energy: 0.480 local terms energy: -778.858955 where: bonds (distance) C4'-P energy: -152.703 bonds (distance) P-C4' energy: -164.483 flat angles C4'-P-C4' energy: -162.496 flat angles P-C4'-P energy: -107.581 tors. eta vs tors. theta energy: -191.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -2274.187937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.187937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.187937 (E_RNA) where: Base-Base interactions energy: -1526.081 where: short stacking energy: -666.686 Base-Backbone interact. energy: 3.649 local terms energy: -751.756455 where: bonds (distance) C4'-P energy: -159.167 bonds (distance) P-C4' energy: -154.295 flat angles C4'-P-C4' energy: -175.424 flat angles P-C4'-P energy: -108.269 tors. eta vs tors. theta energy: -154.602 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: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -2039.770137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.770137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.770137 (E_RNA) where: Base-Base interactions energy: -1430.683 where: short stacking energy: -605.631 Base-Backbone interact. energy: -1.377 local terms energy: -607.710005 where: bonds (distance) C4'-P energy: -130.236 bonds (distance) P-C4' energy: -135.660 flat angles C4'-P-C4' energy: -156.070 flat angles P-C4'-P energy: -80.642 tors. eta vs tors. theta energy: -105.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1445.835766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.835766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.835766 (E_RNA) where: Base-Base interactions energy: -905.903 where: short stacking energy: -436.383 Base-Backbone interact. energy: 6.527 local terms energy: -546.459420 where: bonds (distance) C4'-P energy: -130.513 bonds (distance) P-C4' energy: -121.415 flat angles C4'-P-C4' energy: -140.180 flat angles P-C4'-P energy: -93.848 tors. eta vs tors. theta energy: -60.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3464.569355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.569355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.569355 (E_RNA) where: Base-Base interactions energy: -2439.151 where: short stacking energy: -1030.256 Base-Backbone interact. energy: -5.903 local terms energy: -1019.515647 where: bonds (distance) C4'-P energy: -173.063 bonds (distance) P-C4' energy: -182.996 flat angles C4'-P-C4' energy: -221.943 flat angles P-C4'-P energy: -136.971 tors. eta vs tors. theta energy: -304.544 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: 6 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -3281.047789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.047789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.047789 (E_RNA) where: Base-Base interactions energy: -2318.729 where: short stacking energy: -930.834 Base-Backbone interact. energy: -4.117 local terms energy: -958.202543 where: bonds (distance) C4'-P energy: -185.697 bonds (distance) P-C4' energy: -198.515 flat angles C4'-P-C4' energy: -199.927 flat angles P-C4'-P energy: -119.767 tors. eta vs tors. theta energy: -254.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -3129.125447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.125447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.125447 (E_RNA) where: Base-Base interactions energy: -2220.470 where: short stacking energy: -913.705 Base-Backbone interact. energy: -1.985 local terms energy: -906.670098 where: bonds (distance) C4'-P energy: -170.631 bonds (distance) P-C4' energy: -195.047 flat angles C4'-P-C4' energy: -194.423 flat angles P-C4'-P energy: -126.267 tors. eta vs tors. theta energy: -220.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -3053.990761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.990761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.990761 (E_RNA) where: Base-Base interactions energy: -2155.288 where: short stacking energy: -893.069 Base-Backbone interact. energy: -3.806 local terms energy: -894.897285 where: bonds (distance) C4'-P energy: -165.237 bonds (distance) P-C4' energy: -163.039 flat angles C4'-P-C4' energy: -207.908 flat angles P-C4'-P energy: -129.244 tors. eta vs tors. theta energy: -229.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2895.258745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.258745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.258745 (E_RNA) where: Base-Base interactions energy: -2066.301 where: short stacking energy: -825.917 Base-Backbone interact. energy: 2.171 local terms energy: -831.128438 where: bonds (distance) C4'-P energy: -169.476 bonds (distance) P-C4' energy: -151.346 flat angles C4'-P-C4' energy: -194.592 flat angles P-C4'-P energy: -108.107 tors. eta vs tors. theta energy: -207.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2742.074067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.074067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.074067 (E_RNA) where: Base-Base interactions energy: -1933.927 where: short stacking energy: -842.023 Base-Backbone interact. energy: 0.784 local terms energy: -808.931290 where: bonds (distance) C4'-P energy: -146.434 bonds (distance) P-C4' energy: -159.368 flat angles C4'-P-C4' energy: -175.595 flat angles P-C4'-P energy: -97.699 tors. eta vs tors. theta energy: -229.835 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: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2567.338573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.338573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.338573 (E_RNA) where: Base-Base interactions energy: -1758.567 where: short stacking energy: -771.210 Base-Backbone interact. energy: -2.248 local terms energy: -806.523017 where: bonds (distance) C4'-P energy: -157.290 bonds (distance) P-C4' energy: -155.932 flat angles C4'-P-C4' energy: -192.386 flat angles P-C4'-P energy: -115.658 tors. eta vs tors. theta energy: -185.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -2185.523663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.523663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.523663 (E_RNA) where: Base-Base interactions energy: -1482.344 where: short stacking energy: -667.646 Base-Backbone interact. energy: -3.439 local terms energy: -699.740615 where: bonds (distance) C4'-P energy: -148.787 bonds (distance) P-C4' energy: -164.244 flat angles C4'-P-C4' energy: -167.348 flat angles P-C4'-P energy: -77.245 tors. eta vs tors. theta energy: -142.116 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: 3 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1989.487908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.487908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.487908 (E_RNA) where: Base-Base interactions energy: -1338.608 where: short stacking energy: -588.749 Base-Backbone interact. energy: 4.066 local terms energy: -654.945719 where: bonds (distance) C4'-P energy: -137.755 bonds (distance) P-C4' energy: -166.023 flat angles C4'-P-C4' energy: -160.456 flat angles P-C4'-P energy: -77.735 tors. eta vs tors. theta energy: -112.977 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: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1467.515542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.515542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.515542 (E_RNA) where: Base-Base interactions energy: -930.706 where: short stacking energy: -447.513 Base-Backbone interact. energy: 2.005 local terms energy: -538.814534 where: bonds (distance) C4'-P energy: -156.674 bonds (distance) P-C4' energy: -131.484 flat angles C4'-P-C4' energy: -121.151 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: -47.287 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: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3489.181946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3489.181946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3489.181946 (E_RNA) where: Base-Base interactions energy: -2500.307 where: short stacking energy: -1089.488 Base-Backbone interact. energy: -4.231 local terms energy: -984.644698 where: bonds (distance) C4'-P energy: -159.914 bonds (distance) P-C4' energy: -180.971 flat angles C4'-P-C4' energy: -208.650 flat angles P-C4'-P energy: -134.037 tors. eta vs tors. theta energy: -301.073 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: 6 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3330.030562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.030562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.030562 (E_RNA) where: Base-Base interactions energy: -2391.504 where: short stacking energy: -992.018 Base-Backbone interact. energy: -2.564 local terms energy: -935.962758 where: bonds (distance) C4'-P energy: -172.367 bonds (distance) P-C4' energy: -186.000 flat angles C4'-P-C4' energy: -200.177 flat angles P-C4'-P energy: -115.933 tors. eta vs tors. theta energy: -261.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -3130.661410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.661410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.661410 (E_RNA) where: Base-Base interactions energy: -2233.717 where: short stacking energy: -886.238 Base-Backbone interact. energy: -6.424 local terms energy: -890.520439 where: bonds (distance) C4'-P energy: -175.501 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -196.048 flat angles P-C4'-P energy: -133.179 tors. eta vs tors. theta energy: -226.978 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: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -3016.842557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.842557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.842557 (E_RNA) where: Base-Base interactions energy: -2153.127 where: short stacking energy: -875.180 Base-Backbone interact. energy: -2.144 local terms energy: -861.571244 where: bonds (distance) C4'-P energy: -153.516 bonds (distance) P-C4' energy: -166.413 flat angles C4'-P-C4' energy: -186.647 flat angles P-C4'-P energy: -123.383 tors. eta vs tors. theta energy: -231.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2937.840518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.840518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.840518 (E_RNA) where: Base-Base interactions energy: -2071.673 where: short stacking energy: -853.101 Base-Backbone interact. energy: 2.422 local terms energy: -868.588824 where: bonds (distance) C4'-P energy: -162.393 bonds (distance) P-C4' energy: -166.819 flat angles C4'-P-C4' energy: -196.415 flat angles P-C4'-P energy: -130.872 tors. eta vs tors. theta energy: -212.089 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: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2750.405671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.405671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.405671 (E_RNA) where: Base-Base interactions energy: -1919.611 where: short stacking energy: -843.926 Base-Backbone interact. energy: 0.229 local terms energy: -831.023160 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -153.394 flat angles C4'-P-C4' energy: -195.833 flat angles P-C4'-P energy: -105.952 tors. eta vs tors. theta energy: -218.152 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: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2578.539802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.539802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.539802 (E_RNA) where: Base-Base interactions energy: -1764.433 where: short stacking energy: -786.737 Base-Backbone interact. energy: -1.869 local terms energy: -812.237402 where: bonds (distance) C4'-P energy: -142.859 bonds (distance) P-C4' energy: -166.878 flat angles C4'-P-C4' energy: -178.686 flat angles P-C4'-P energy: -121.145 tors. eta vs tors. theta energy: -202.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -2155.378692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2155.378692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2155.378692 (E_RNA) where: Base-Base interactions energy: -1492.317 where: short stacking energy: -613.197 Base-Backbone interact. energy: -1.520 local terms energy: -661.541216 where: bonds (distance) C4'-P energy: -145.966 bonds (distance) P-C4' energy: -152.852 flat angles C4'-P-C4' energy: -180.473 flat angles P-C4'-P energy: -79.818 tors. eta vs tors. theta energy: -102.433 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: 3 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1988.788742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.788742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.788742 (E_RNA) where: Base-Base interactions energy: -1339.976 where: short stacking energy: -581.632 Base-Backbone interact. energy: -0.090 local terms energy: -648.723313 where: bonds (distance) C4'-P energy: -140.636 bonds (distance) P-C4' energy: -172.647 flat angles C4'-P-C4' energy: -148.242 flat angles P-C4'-P energy: -77.033 tors. eta vs tors. theta energy: -110.164 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: 349 Temperature: 1.350000 Total energy: -1470.206499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.206499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.206499 (E_RNA) where: Base-Base interactions energy: -922.320 where: short stacking energy: -441.637 Base-Backbone interact. energy: -2.535 local terms energy: -545.351480 where: bonds (distance) C4'-P energy: -129.280 bonds (distance) P-C4' energy: -139.171 flat angles C4'-P-C4' energy: -149.909 flat angles P-C4'-P energy: -65.696 tors. eta vs tors. theta energy: -61.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3450.033315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.033315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.033315 (E_RNA) where: Base-Base interactions energy: -2430.236 where: short stacking energy: -1040.739 Base-Backbone interact. energy: -3.500 local terms energy: -1016.297285 where: bonds (distance) C4'-P energy: -164.933 bonds (distance) P-C4' energy: -187.607 flat angles C4'-P-C4' energy: -215.270 flat angles P-C4'-P energy: -140.055 tors. eta vs tors. theta energy: -308.432 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: 6 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3318.649944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.649944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.649944 (E_RNA) where: Base-Base interactions energy: -2358.866 where: short stacking energy: -963.734 Base-Backbone interact. energy: -4.549 local terms energy: -955.235124 where: bonds (distance) C4'-P energy: -179.658 bonds (distance) P-C4' energy: -176.425 flat angles C4'-P-C4' energy: -208.212 flat angles P-C4'-P energy: -130.518 tors. eta vs tors. theta energy: -260.422 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: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -3173.661545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.661545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.661545 (E_RNA) where: Base-Base interactions energy: -2272.631 where: short stacking energy: -957.537 Base-Backbone interact. energy: -2.260 local terms energy: -898.770552 where: bonds (distance) C4'-P energy: -161.093 bonds (distance) P-C4' energy: -171.577 flat angles C4'-P-C4' energy: -200.826 flat angles P-C4'-P energy: -123.765 tors. eta vs tors. theta energy: -241.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -3018.825855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.825855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.825855 (E_RNA) where: Base-Base interactions energy: -2168.710 where: short stacking energy: -867.815 Base-Backbone interact. energy: 1.635 local terms energy: -851.749884 where: bonds (distance) C4'-P energy: -155.080 bonds (distance) P-C4' energy: -176.775 flat angles C4'-P-C4' energy: -186.658 flat angles P-C4'-P energy: -111.931 tors. eta vs tors. theta energy: -221.305 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: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2945.640731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.640731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.640731 (E_RNA) where: Base-Base interactions energy: -2083.730 where: short stacking energy: -820.641 Base-Backbone interact. energy: 6.881 local terms energy: -868.791589 where: bonds (distance) C4'-P energy: -146.042 bonds (distance) P-C4' energy: -182.979 flat angles C4'-P-C4' energy: -192.184 flat angles P-C4'-P energy: -125.784 tors. eta vs tors. theta energy: -221.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2753.157359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.157359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.157359 (E_RNA) where: Base-Base interactions energy: -1933.908 where: short stacking energy: -854.188 Base-Backbone interact. energy: 4.320 local terms energy: -823.569096 where: bonds (distance) C4'-P energy: -149.116 bonds (distance) P-C4' energy: -147.370 flat angles C4'-P-C4' energy: -186.290 flat angles P-C4'-P energy: -113.882 tors. eta vs tors. theta energy: -226.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2532.134137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.134137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.134137 (E_RNA) where: Base-Base interactions energy: -1751.617 where: short stacking energy: -771.206 Base-Backbone interact. energy: -1.152 local terms energy: -779.364555 where: bonds (distance) C4'-P energy: -141.347 bonds (distance) P-C4' energy: -157.835 flat angles C4'-P-C4' energy: -175.963 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -203.051 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: 350 Temperature: 1.250000 Total energy: -2239.137733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.137733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.137733 (E_RNA) where: Base-Base interactions energy: -1556.032 where: short stacking energy: -672.098 Base-Backbone interact. energy: 6.587 local terms energy: -689.692876 where: bonds (distance) C4'-P energy: -139.378 bonds (distance) P-C4' energy: -137.159 flat angles C4'-P-C4' energy: -145.439 flat angles P-C4'-P energy: -97.093 tors. eta vs tors. theta energy: -170.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1945.879740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.879740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.879740 (E_RNA) where: Base-Base interactions energy: -1303.777 where: short stacking energy: -608.791 Base-Backbone interact. energy: -0.943 local terms energy: -641.159551 where: bonds (distance) C4'-P energy: -157.892 bonds (distance) P-C4' energy: -129.910 flat angles C4'-P-C4' energy: -144.975 flat angles P-C4'-P energy: -85.717 tors. eta vs tors. theta energy: -122.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1473.814220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.814220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.814220 (E_RNA) where: Base-Base interactions energy: -922.705 where: short stacking energy: -441.566 Base-Backbone interact. energy: -2.727 local terms energy: -548.382628 where: bonds (distance) C4'-P energy: -127.595 bonds (distance) P-C4' energy: -139.018 flat angles C4'-P-C4' energy: -133.970 flat angles P-C4'-P energy: -86.998 tors. eta vs tors. theta energy: -60.801 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: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3472.415256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.415256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.415256 (E_RNA) where: Base-Base interactions energy: -2464.117 where: short stacking energy: -1079.419 Base-Backbone interact. energy: -8.087 local terms energy: -1000.211585 where: bonds (distance) C4'-P energy: -165.397 bonds (distance) P-C4' energy: -192.126 flat angles C4'-P-C4' energy: -214.780 flat angles P-C4'-P energy: -130.375 tors. eta vs tors. theta energy: -297.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3315.890527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.890527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.890527 (E_RNA) where: Base-Base interactions energy: -2365.877 where: short stacking energy: -979.301 Base-Backbone interact. energy: -8.460 local terms energy: -941.553949 where: bonds (distance) C4'-P energy: -172.255 bonds (distance) P-C4' energy: -175.692 flat angles C4'-P-C4' energy: -196.134 flat angles P-C4'-P energy: -135.012 tors. eta vs tors. theta energy: -262.461 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: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -3158.331073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.331073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.331073 (E_RNA) where: Base-Base interactions energy: -2268.343 where: short stacking energy: -931.959 Base-Backbone interact. energy: -3.219 local terms energy: -886.768741 where: bonds (distance) C4'-P energy: -146.681 bonds (distance) P-C4' energy: -152.528 flat angles C4'-P-C4' energy: -211.977 flat angles P-C4'-P energy: -129.713 tors. eta vs tors. theta energy: -245.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -3032.981625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.981625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.981625 (E_RNA) where: Base-Base interactions energy: -2159.709 where: short stacking energy: -892.688 Base-Backbone interact. energy: -0.353 local terms energy: -872.919697 where: bonds (distance) C4'-P energy: -168.879 bonds (distance) P-C4' energy: -166.991 flat angles C4'-P-C4' energy: -201.590 flat angles P-C4'-P energy: -110.045 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: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2939.464594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.464594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.464594 (E_RNA) where: Base-Base interactions energy: -2095.480 where: short stacking energy: -867.005 Base-Backbone interact. energy: -2.834 local terms energy: -841.150637 where: bonds (distance) C4'-P energy: -154.817 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -182.058 flat angles P-C4'-P energy: -121.071 tors. eta vs tors. theta energy: -221.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2787.261853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.261853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.261853 (E_RNA) where: Base-Base interactions energy: -1933.986 where: short stacking energy: -810.855 Base-Backbone interact. energy: 1.830 local terms energy: -855.105260 where: bonds (distance) C4'-P energy: -154.192 bonds (distance) P-C4' energy: -158.647 flat angles C4'-P-C4' energy: -192.738 flat angles P-C4'-P energy: -134.761 tors. eta vs tors. theta energy: -214.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -2544.536063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.536063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.536063 (E_RNA) where: Base-Base interactions energy: -1773.281 where: short stacking energy: -815.379 Base-Backbone interact. energy: 0.016 local terms energy: -771.270558 where: bonds (distance) C4'-P energy: -146.606 bonds (distance) P-C4' energy: -129.009 flat angles C4'-P-C4' energy: -182.682 flat angles P-C4'-P energy: -105.071 tors. eta vs tors. theta energy: -207.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -2246.055576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.055576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.055576 (E_RNA) where: Base-Base interactions energy: -1555.764 where: short stacking energy: -680.061 Base-Backbone interact. energy: 0.127 local terms energy: -690.418848 where: bonds (distance) C4'-P energy: -107.414 bonds (distance) P-C4' energy: -154.106 flat angles C4'-P-C4' energy: -158.358 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -158.098 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: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1915.670284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.670284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.670284 (E_RNA) where: Base-Base interactions energy: -1316.489 where: short stacking energy: -561.758 Base-Backbone interact. energy: -2.957 local terms energy: -596.223777 where: bonds (distance) C4'-P energy: -119.871 bonds (distance) P-C4' energy: -137.174 flat angles C4'-P-C4' energy: -152.218 flat angles P-C4'-P energy: -76.792 tors. eta vs tors. theta energy: -110.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1426.590229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.590229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.590229 (E_RNA) where: Base-Base interactions energy: -914.140 where: short stacking energy: -416.641 Base-Backbone interact. energy: 3.066 local terms energy: -515.516806 where: bonds (distance) C4'-P energy: -141.660 bonds (distance) P-C4' energy: -133.885 flat angles C4'-P-C4' energy: -130.848 flat angles P-C4'-P energy: -78.189 tors. eta vs tors. theta energy: -30.935 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: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3482.310627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.310627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.310627 (E_RNA) where: Base-Base interactions energy: -2463.163 where: short stacking energy: -1042.560 Base-Backbone interact. energy: -6.598 local terms energy: -1012.550168 where: bonds (distance) C4'-P energy: -182.447 bonds (distance) P-C4' energy: -174.650 flat angles C4'-P-C4' energy: -222.705 flat angles P-C4'-P energy: -141.916 tors. eta vs tors. theta energy: -290.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -3327.681034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.681034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.681034 (E_RNA) where: Base-Base interactions energy: -2383.341 where: short stacking energy: -983.797 Base-Backbone interact. energy: 1.475 local terms energy: -945.815098 where: bonds (distance) C4'-P energy: -160.091 bonds (distance) P-C4' energy: -193.450 flat angles C4'-P-C4' energy: -196.405 flat angles P-C4'-P energy: -134.355 tors. eta vs tors. theta energy: -261.513 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: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -3189.300171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.300171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.300171 (E_RNA) where: Base-Base interactions energy: -2295.982 where: short stacking energy: -942.936 Base-Backbone interact. energy: -1.625 local terms energy: -891.693655 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -180.381 flat angles C4'-P-C4' energy: -193.732 flat angles P-C4'-P energy: -131.285 tors. eta vs tors. theta energy: -234.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -3017.780160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.780160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.780160 (E_RNA) where: Base-Base interactions energy: -2142.999 where: short stacking energy: -892.858 Base-Backbone interact. energy: -2.796 local terms energy: -871.985197 where: bonds (distance) C4'-P energy: -155.190 bonds (distance) P-C4' energy: -177.241 flat angles C4'-P-C4' energy: -183.548 flat angles P-C4'-P energy: -125.236 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: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2994.854810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.854810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.854810 (E_RNA) where: Base-Base interactions energy: -2142.167 where: short stacking energy: -842.722 Base-Backbone interact. energy: -3.733 local terms energy: -848.954668 where: bonds (distance) C4'-P energy: -164.725 bonds (distance) P-C4' energy: -169.995 flat angles C4'-P-C4' energy: -177.392 flat angles P-C4'-P energy: -110.396 tors. eta vs tors. theta energy: -226.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2731.125864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.125864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.125864 (E_RNA) where: Base-Base interactions energy: -1895.273 where: short stacking energy: -793.955 Base-Backbone interact. energy: 0.715 local terms energy: -836.567509 where: bonds (distance) C4'-P energy: -170.131 bonds (distance) P-C4' energy: -157.319 flat angles C4'-P-C4' energy: -181.606 flat angles P-C4'-P energy: -115.260 tors. eta vs tors. theta energy: -212.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2591.639107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.639107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.639107 (E_RNA) where: Base-Base interactions energy: -1786.319 where: short stacking energy: -785.945 Base-Backbone interact. energy: -1.619 local terms energy: -803.700827 where: bonds (distance) C4'-P energy: -153.924 bonds (distance) P-C4' energy: -146.466 flat angles C4'-P-C4' energy: -183.189 flat angles P-C4'-P energy: -120.487 tors. eta vs tors. theta energy: -199.635 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: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -2229.565708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.565708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.565708 (E_RNA) where: Base-Base interactions energy: -1514.274 where: short stacking energy: -660.339 Base-Backbone interact. energy: 2.932 local terms energy: -718.223469 where: bonds (distance) C4'-P energy: -157.294 bonds (distance) P-C4' energy: -167.079 flat angles C4'-P-C4' energy: -160.687 flat angles P-C4'-P energy: -87.400 tors. eta vs tors. theta energy: -145.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1916.180155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.180155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.180155 (E_RNA) where: Base-Base interactions energy: -1282.208 where: short stacking energy: -552.559 Base-Backbone interact. energy: 2.944 local terms energy: -636.916213 where: bonds (distance) C4'-P energy: -149.192 bonds (distance) P-C4' energy: -131.971 flat angles C4'-P-C4' energy: -172.066 flat angles P-C4'-P energy: -84.958 tors. eta vs tors. theta energy: -98.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1468.736634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.736634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.736634 (E_RNA) where: Base-Base interactions energy: -889.163 where: short stacking energy: -422.516 Base-Backbone interact. energy: 2.056 local terms energy: -581.629195 where: bonds (distance) C4'-P energy: -138.067 bonds (distance) P-C4' energy: -167.128 flat angles C4'-P-C4' energy: -147.830 flat angles P-C4'-P energy: -87.933 tors. eta vs tors. theta energy: -40.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3435.200928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.200928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.200928 (E_RNA) where: Base-Base interactions energy: -2416.532 where: short stacking energy: -1031.117 Base-Backbone interact. energy: -6.978 local terms energy: -1011.690439 where: bonds (distance) C4'-P energy: -183.031 bonds (distance) P-C4' energy: -191.212 flat angles C4'-P-C4' energy: -213.219 flat angles P-C4'-P energy: -128.488 tors. eta vs tors. theta energy: -295.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3304.415467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.415467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.415467 (E_RNA) where: Base-Base interactions energy: -2338.954 where: short stacking energy: -946.584 Base-Backbone interact. energy: -0.034 local terms energy: -965.428268 where: bonds (distance) C4'-P energy: -176.142 bonds (distance) P-C4' energy: -176.854 flat angles C4'-P-C4' energy: -211.141 flat angles P-C4'-P energy: -142.178 tors. eta vs tors. theta energy: -259.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -3209.230176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.230176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.230176 (E_RNA) where: Base-Base interactions energy: -2295.156 where: short stacking energy: -963.503 Base-Backbone interact. energy: -3.419 local terms energy: -910.655385 where: bonds (distance) C4'-P energy: -156.199 bonds (distance) P-C4' energy: -177.557 flat angles C4'-P-C4' energy: -214.891 flat angles P-C4'-P energy: -128.976 tors. eta vs tors. theta energy: -233.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -3015.574122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.574122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.574122 (E_RNA) where: Base-Base interactions energy: -2166.681 where: short stacking energy: -886.706 Base-Backbone interact. energy: -3.166 local terms energy: -845.726544 where: bonds (distance) C4'-P energy: -161.171 bonds (distance) P-C4' energy: -161.484 flat angles C4'-P-C4' energy: -182.537 flat angles P-C4'-P energy: -117.550 tors. eta vs tors. theta energy: -222.984 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: 5, replica: 5 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2944.191343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.191343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.191343 (E_RNA) where: Base-Base interactions energy: -2077.905 where: short stacking energy: -870.472 Base-Backbone interact. energy: 0.208 local terms energy: -866.493635 where: bonds (distance) C4'-P energy: -164.214 bonds (distance) P-C4' energy: -169.947 flat angles C4'-P-C4' energy: -185.411 flat angles P-C4'-P energy: -108.318 tors. eta vs tors. theta energy: -238.604 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: 9 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2810.647657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.647657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.647657 (E_RNA) where: Base-Base interactions energy: -1987.962 where: short stacking energy: -847.105 Base-Backbone interact. energy: -1.241 local terms energy: -821.444612 where: bonds (distance) C4'-P energy: -147.750 bonds (distance) P-C4' energy: -156.224 flat angles C4'-P-C4' energy: -183.413 flat angles P-C4'-P energy: -120.508 tors. eta vs tors. theta energy: -213.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2546.417313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.417313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.417313 (E_RNA) where: Base-Base interactions energy: -1758.494 where: short stacking energy: -789.787 Base-Backbone interact. energy: -1.732 local terms energy: -786.190700 where: bonds (distance) C4'-P energy: -153.660 bonds (distance) P-C4' energy: -149.252 flat angles C4'-P-C4' energy: -168.721 flat angles P-C4'-P energy: -100.425 tors. eta vs tors. theta energy: -214.133 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: 353 Temperature: 1.250000 Total energy: -2333.554387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.554387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.554387 (E_RNA) where: Base-Base interactions energy: -1616.352 where: short stacking energy: -726.784 Base-Backbone interact. energy: -2.675 local terms energy: -714.527178 where: bonds (distance) C4'-P energy: -131.082 bonds (distance) P-C4' energy: -154.187 flat angles C4'-P-C4' energy: -166.562 flat angles P-C4'-P energy: -111.375 tors. eta vs tors. theta energy: -151.321 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: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1956.411415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.411415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.411415 (E_RNA) where: Base-Base interactions energy: -1289.978 where: short stacking energy: -595.051 Base-Backbone interact. energy: -0.662 local terms energy: -665.771434 where: bonds (distance) C4'-P energy: -160.647 bonds (distance) P-C4' energy: -131.901 flat angles C4'-P-C4' energy: -170.188 flat angles P-C4'-P energy: -88.719 tors. eta vs tors. theta energy: -114.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1601.371420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.371420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.371420 (E_RNA) where: Base-Base interactions energy: -1003.814 where: short stacking energy: -499.575 Base-Backbone interact. energy: -0.144 local terms energy: -597.413071 where: bonds (distance) C4'-P energy: -135.535 bonds (distance) P-C4' energy: -153.580 flat angles C4'-P-C4' energy: -150.273 flat angles P-C4'-P energy: -94.888 tors. eta vs tors. theta energy: -63.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3470.587887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.587887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.587887 (E_RNA) where: Base-Base interactions energy: -2441.485 where: short stacking energy: -1056.956 Base-Backbone interact. energy: -8.118 local terms energy: -1020.984594 where: bonds (distance) C4'-P energy: -176.751 bonds (distance) P-C4' energy: -197.965 flat angles C4'-P-C4' energy: -214.614 flat angles P-C4'-P energy: -138.333 tors. eta vs tors. theta energy: -293.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3321.763729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.763729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.763729 (E_RNA) where: Base-Base interactions energy: -2355.286 where: short stacking energy: -936.811 Base-Backbone interact. energy: -6.135 local terms energy: -960.342251 where: bonds (distance) C4'-P energy: -170.054 bonds (distance) P-C4' energy: -184.466 flat angles C4'-P-C4' energy: -204.921 flat angles P-C4'-P energy: -144.478 tors. eta vs tors. theta energy: -256.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -3182.240335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.240335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.240335 (E_RNA) where: Base-Base interactions energy: -2243.557 where: short stacking energy: -944.773 Base-Backbone interact. energy: 0.012 local terms energy: -938.694749 where: bonds (distance) C4'-P energy: -164.266 bonds (distance) P-C4' energy: -169.083 flat angles C4'-P-C4' energy: -216.907 flat angles P-C4'-P energy: -134.743 tors. eta vs tors. theta energy: -253.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -3028.617167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.617167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.617167 (E_RNA) where: Base-Base interactions energy: -2150.190 where: short stacking energy: -891.768 Base-Backbone interact. energy: 2.616 local terms energy: -881.043239 where: bonds (distance) C4'-P energy: -159.285 bonds (distance) P-C4' energy: -173.654 flat angles C4'-P-C4' energy: -201.411 flat angles P-C4'-P energy: -113.948 tors. eta vs tors. theta energy: -232.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2962.605167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.605167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.605167 (E_RNA) where: Base-Base interactions energy: -2110.057 where: short stacking energy: -840.092 Base-Backbone interact. energy: -4.708 local terms energy: -847.839526 where: bonds (distance) C4'-P energy: -164.144 bonds (distance) P-C4' energy: -173.504 flat angles C4'-P-C4' energy: -183.459 flat angles P-C4'-P energy: -118.856 tors. eta vs tors. theta energy: -207.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2780.178962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.178962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.178962 (E_RNA) where: Base-Base interactions energy: -1962.754 where: short stacking energy: -859.932 Base-Backbone interact. energy: -4.893 local terms energy: -812.531679 where: bonds (distance) C4'-P energy: -151.514 bonds (distance) P-C4' energy: -139.034 flat angles C4'-P-C4' energy: -180.743 flat angles P-C4'-P energy: -116.972 tors. eta vs tors. theta energy: -224.270 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: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2521.841699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.841699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.841699 (E_RNA) where: Base-Base interactions energy: -1722.390 where: short stacking energy: -750.611 Base-Backbone interact. energy: -1.039 local terms energy: -798.412070 where: bonds (distance) C4'-P energy: -142.071 bonds (distance) P-C4' energy: -155.237 flat angles C4'-P-C4' energy: -189.170 flat angles P-C4'-P energy: -115.729 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: 8, replica: 8 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -2227.858052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.858052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.858052 (E_RNA) where: Base-Base interactions energy: -1560.906 where: short stacking energy: -667.742 Base-Backbone interact. energy: 2.950 local terms energy: -669.902084 where: bonds (distance) C4'-P energy: -121.820 bonds (distance) P-C4' energy: -144.012 flat angles C4'-P-C4' energy: -157.282 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -168.591 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: 3 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -2026.623566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.623566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.623566 (E_RNA) where: Base-Base interactions energy: -1324.892 where: short stacking energy: -597.217 Base-Backbone interact. energy: 4.241 local terms energy: -705.971634 where: bonds (distance) C4'-P energy: -171.510 bonds (distance) P-C4' energy: -156.672 flat angles C4'-P-C4' energy: -146.188 flat angles P-C4'-P energy: -102.909 tors. eta vs tors. theta energy: -128.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1512.837065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.837065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.837065 (E_RNA) where: Base-Base interactions energy: -978.913 where: short stacking energy: -451.214 Base-Backbone interact. energy: -0.130 local terms energy: -533.793997 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -141.777 flat angles C4'-P-C4' energy: -135.510 flat angles P-C4'-P energy: -71.963 tors. eta vs tors. theta energy: -44.413 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: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3457.362020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.362020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.362020 (E_RNA) where: Base-Base interactions energy: -2413.909 where: short stacking energy: -1020.891 Base-Backbone interact. energy: -1.372 local terms energy: -1042.080945 where: bonds (distance) C4'-P energy: -173.478 bonds (distance) P-C4' energy: -202.805 flat angles C4'-P-C4' energy: -213.552 flat angles P-C4'-P energy: -155.336 tors. eta vs tors. theta energy: -296.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3323.627059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.627059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.627059 (E_RNA) where: Base-Base interactions energy: -2369.614 where: short stacking energy: -955.130 Base-Backbone interact. energy: -8.845 local terms energy: -945.167795 where: bonds (distance) C4'-P energy: -168.330 bonds (distance) P-C4' energy: -173.066 flat angles C4'-P-C4' energy: -202.248 flat angles P-C4'-P energy: -137.176 tors. eta vs tors. theta energy: -264.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -3146.398527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.398527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.398527 (E_RNA) where: Base-Base interactions energy: -2252.499 where: short stacking energy: -913.135 Base-Backbone interact. energy: -0.755 local terms energy: -893.144433 where: bonds (distance) C4'-P energy: -169.927 bonds (distance) P-C4' energy: -169.336 flat angles C4'-P-C4' energy: -189.615 flat angles P-C4'-P energy: -129.196 tors. eta vs tors. theta energy: -235.070 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: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -3037.156798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.156798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.156798 (E_RNA) where: Base-Base interactions energy: -2154.819 where: short stacking energy: -897.677 Base-Backbone interact. energy: -4.679 local terms energy: -877.658909 where: bonds (distance) C4'-P energy: -148.380 bonds (distance) P-C4' energy: -171.894 flat angles C4'-P-C4' energy: -193.882 flat angles P-C4'-P energy: -129.844 tors. eta vs tors. theta energy: -233.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2893.784806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.784806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.784806 (E_RNA) where: Base-Base interactions energy: -2062.923 where: short stacking energy: -844.516 Base-Backbone interact. energy: -5.204 local terms energy: -825.658047 where: bonds (distance) C4'-P energy: -184.720 bonds (distance) P-C4' energy: -145.963 flat angles C4'-P-C4' energy: -178.456 flat angles P-C4'-P energy: -98.187 tors. eta vs tors. theta energy: -218.333 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: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2735.501032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.501032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.501032 (E_RNA) where: Base-Base interactions energy: -1916.367 where: short stacking energy: -820.653 Base-Backbone interact. energy: -0.498 local terms energy: -818.636328 where: bonds (distance) C4'-P energy: -149.318 bonds (distance) P-C4' energy: -154.383 flat angles C4'-P-C4' energy: -191.120 flat angles P-C4'-P energy: -111.655 tors. eta vs tors. theta energy: -212.160 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: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2483.805316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.805316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.805316 (E_RNA) where: Base-Base interactions energy: -1736.098 where: short stacking energy: -795.039 Base-Backbone interact. energy: 0.963 local terms energy: -748.670811 where: bonds (distance) C4'-P energy: -121.194 bonds (distance) P-C4' energy: -160.205 flat angles C4'-P-C4' energy: -168.020 flat angles P-C4'-P energy: -108.299 tors. eta vs tors. theta energy: -190.953 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: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -2289.660564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.660564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.660564 (E_RNA) where: Base-Base interactions energy: -1540.338 where: short stacking energy: -672.314 Base-Backbone interact. energy: -2.187 local terms energy: -747.135604 where: bonds (distance) C4'-P energy: -118.423 bonds (distance) P-C4' energy: -168.649 flat angles C4'-P-C4' energy: -177.243 flat angles P-C4'-P energy: -117.396 tors. eta vs tors. theta energy: -165.425 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: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1984.981991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.981991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.981991 (E_RNA) where: Base-Base interactions energy: -1324.617 where: short stacking energy: -602.076 Base-Backbone interact. energy: -0.595 local terms energy: -659.770024 where: bonds (distance) C4'-P energy: -145.955 bonds (distance) P-C4' energy: -166.882 flat angles C4'-P-C4' energy: -160.785 flat angles P-C4'-P energy: -78.023 tors. eta vs tors. theta energy: -108.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1540.066370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.066370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.066370 (E_RNA) where: Base-Base interactions energy: -976.407 where: short stacking energy: -457.876 Base-Backbone interact. energy: 3.597 local terms energy: -567.256188 where: bonds (distance) C4'-P energy: -152.270 bonds (distance) P-C4' energy: -128.965 flat angles C4'-P-C4' energy: -135.454 flat angles P-C4'-P energy: -98.040 tors. eta vs tors. theta energy: -52.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3455.749552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3455.749552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3455.749552 (E_RNA) where: Base-Base interactions energy: -2430.524 where: short stacking energy: -1037.720 Base-Backbone interact. energy: -2.485 local terms energy: -1022.740459 where: bonds (distance) C4'-P energy: -163.760 bonds (distance) P-C4' energy: -197.128 flat angles C4'-P-C4' energy: -221.820 flat angles P-C4'-P energy: -138.048 tors. eta vs tors. theta energy: -301.984 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: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3308.923863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3308.923863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3308.923863 (E_RNA) where: Base-Base interactions energy: -2373.796 where: short stacking energy: -974.405 Base-Backbone interact. energy: -3.093 local terms energy: -932.035301 where: bonds (distance) C4'-P energy: -167.086 bonds (distance) P-C4' energy: -174.876 flat angles C4'-P-C4' energy: -193.698 flat angles P-C4'-P energy: -138.599 tors. eta vs tors. theta energy: -257.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -3141.396445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.396445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.396445 (E_RNA) where: Base-Base interactions energy: -2245.575 where: short stacking energy: -920.186 Base-Backbone interact. energy: -6.237 local terms energy: -889.584745 where: bonds (distance) C4'-P energy: -172.480 bonds (distance) P-C4' energy: -173.995 flat angles C4'-P-C4' energy: -183.220 flat angles P-C4'-P energy: -125.506 tors. eta vs tors. theta energy: -234.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2960.228449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.228449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.228449 (E_RNA) where: Base-Base interactions energy: -2089.885 where: short stacking energy: -865.755 Base-Backbone interact. energy: -6.069 local terms energy: -864.274112 where: bonds (distance) C4'-P energy: -160.077 bonds (distance) P-C4' energy: -178.021 flat angles C4'-P-C4' energy: -181.150 flat angles P-C4'-P energy: -115.916 tors. eta vs tors. theta energy: -229.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2907.603739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.603739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.603739 (E_RNA) where: Base-Base interactions energy: -2077.207 where: short stacking energy: -849.236 Base-Backbone interact. energy: 0.377 local terms energy: -830.773570 where: bonds (distance) C4'-P energy: -173.982 bonds (distance) P-C4' energy: -161.533 flat angles C4'-P-C4' energy: -176.749 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -215.377 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2790.659805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.659805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.659805 (E_RNA) where: Base-Base interactions energy: -1973.776 where: short stacking energy: -821.221 Base-Backbone interact. energy: -3.471 local terms energy: -813.412604 where: bonds (distance) C4'-P energy: -144.013 bonds (distance) P-C4' energy: -154.197 flat angles C4'-P-C4' energy: -184.309 flat angles P-C4'-P energy: -116.944 tors. eta vs tors. theta energy: -213.949 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: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2446.811385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.811385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.811385 (E_RNA) where: Base-Base interactions energy: -1706.655 where: short stacking energy: -744.113 Base-Backbone interact. energy: -0.075 local terms energy: -740.081624 where: bonds (distance) C4'-P energy: -140.193 bonds (distance) P-C4' energy: -150.163 flat angles C4'-P-C4' energy: -167.372 flat angles P-C4'-P energy: -98.533 tors. eta vs tors. theta energy: -183.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -2339.805404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.805404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.805404 (E_RNA) where: Base-Base interactions energy: -1608.561 where: short stacking energy: -701.728 Base-Backbone interact. energy: -1.557 local terms energy: -729.688039 where: bonds (distance) C4'-P energy: -160.199 bonds (distance) P-C4' energy: -138.574 flat angles C4'-P-C4' energy: -167.956 flat angles P-C4'-P energy: -89.498 tors. eta vs tors. theta energy: -173.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -2038.780078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.780078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.780078 (E_RNA) where: Base-Base interactions energy: -1354.166 where: short stacking energy: -609.708 Base-Backbone interact. energy: 2.346 local terms energy: -686.959536 where: bonds (distance) C4'-P energy: -154.906 bonds (distance) P-C4' energy: -152.316 flat angles C4'-P-C4' energy: -162.062 flat angles P-C4'-P energy: -94.111 tors. eta vs tors. theta energy: -123.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1605.851633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.851633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.851633 (E_RNA) where: Base-Base interactions energy: -1034.948 where: short stacking energy: -465.638 Base-Backbone interact. energy: -2.383 local terms energy: -568.520763 where: bonds (distance) C4'-P energy: -142.837 bonds (distance) P-C4' energy: -155.798 flat angles C4'-P-C4' energy: -122.922 flat angles P-C4'-P energy: -92.661 tors. eta vs tors. theta energy: -54.303 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: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3490.942094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.942094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.942094 (E_RNA) where: Base-Base interactions energy: -2460.904 where: short stacking energy: -1056.259 Base-Backbone interact. energy: -6.808 local terms energy: -1023.230286 where: bonds (distance) C4'-P energy: -194.299 bonds (distance) P-C4' energy: -166.868 flat angles C4'-P-C4' energy: -206.845 flat angles P-C4'-P energy: -154.223 tors. eta vs tors. theta energy: -300.997 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: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3302.112080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.112080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.112080 (E_RNA) where: Base-Base interactions energy: -2326.862 where: short stacking energy: -942.169 Base-Backbone interact. energy: -4.839 local terms energy: -970.411620 where: bonds (distance) C4'-P energy: -179.345 bonds (distance) P-C4' energy: -190.237 flat angles C4'-P-C4' energy: -207.026 flat angles P-C4'-P energy: -125.865 tors. eta vs tors. theta energy: -267.938 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: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -3162.540812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.540812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.540812 (E_RNA) where: Base-Base interactions energy: -2250.749 where: short stacking energy: -936.760 Base-Backbone interact. energy: 1.160 local terms energy: -912.950845 where: bonds (distance) C4'-P energy: -172.659 bonds (distance) P-C4' energy: -170.775 flat angles C4'-P-C4' energy: -194.217 flat angles P-C4'-P energy: -139.162 tors. eta vs tors. theta energy: -236.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -3006.160429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.160429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.160429 (E_RNA) where: Base-Base interactions energy: -2113.098 where: short stacking energy: -878.407 Base-Backbone interact. energy: -0.347 local terms energy: -892.715673 where: bonds (distance) C4'-P energy: -152.469 bonds (distance) P-C4' energy: -182.813 flat angles C4'-P-C4' energy: -203.004 flat angles P-C4'-P energy: -126.633 tors. eta vs tors. theta energy: -227.797 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: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2923.895761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.895761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.895761 (E_RNA) where: Base-Base interactions energy: -2101.548 where: short stacking energy: -851.811 Base-Backbone interact. energy: -3.181 local terms energy: -819.167347 where: bonds (distance) C4'-P energy: -147.749 bonds (distance) P-C4' energy: -163.804 flat angles C4'-P-C4' energy: -183.185 flat angles P-C4'-P energy: -107.705 tors. eta vs tors. theta energy: -216.723 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: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2804.773847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.773847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.773847 (E_RNA) where: Base-Base interactions energy: -1970.378 where: short stacking energy: -861.670 Base-Backbone interact. energy: -2.663 local terms energy: -831.731923 where: bonds (distance) C4'-P energy: -145.878 bonds (distance) P-C4' energy: -147.486 flat angles C4'-P-C4' energy: -186.244 flat angles P-C4'-P energy: -118.338 tors. eta vs tors. theta energy: -233.786 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2478.995510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.995510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.995510 (E_RNA) where: Base-Base interactions energy: -1707.011 where: short stacking energy: -763.838 Base-Backbone interact. energy: -2.749 local terms energy: -769.235910 where: bonds (distance) C4'-P energy: -147.317 bonds (distance) P-C4' energy: -150.953 flat angles C4'-P-C4' energy: -181.537 flat angles P-C4'-P energy: -100.805 tors. eta vs tors. theta energy: -188.624 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: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -2377.331083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.331083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.331083 (E_RNA) where: Base-Base interactions energy: -1647.245 where: short stacking energy: -711.461 Base-Backbone interact. energy: -4.138 local terms energy: -725.948382 where: bonds (distance) C4'-P energy: -114.099 bonds (distance) P-C4' energy: -158.966 flat angles C4'-P-C4' energy: -171.655 flat angles P-C4'-P energy: -108.218 tors. eta vs tors. theta energy: -173.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1969.357341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.357341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.357341 (E_RNA) where: Base-Base interactions energy: -1323.347 where: short stacking energy: -576.089 Base-Backbone interact. energy: -1.706 local terms energy: -644.304222 where: bonds (distance) C4'-P energy: -159.119 bonds (distance) P-C4' energy: -132.251 flat angles C4'-P-C4' energy: -162.120 flat angles P-C4'-P energy: -73.149 tors. eta vs tors. theta energy: -117.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1494.031130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.031130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.031130 (E_RNA) where: Base-Base interactions energy: -942.715 where: short stacking energy: -422.909 Base-Backbone interact. energy: 14.893 local terms energy: -566.208615 where: bonds (distance) C4'-P energy: -130.129 bonds (distance) P-C4' energy: -167.949 flat angles C4'-P-C4' energy: -125.831 flat angles P-C4'-P energy: -93.488 tors. eta vs tors. theta energy: -48.813 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: 1, replica: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3469.482505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.482505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.482505 (E_RNA) where: Base-Base interactions energy: -2462.050 where: short stacking energy: -1049.277 Base-Backbone interact. energy: -5.488 local terms energy: -1001.944344 where: bonds (distance) C4'-P energy: -171.699 bonds (distance) P-C4' energy: -189.728 flat angles C4'-P-C4' energy: -193.272 flat angles P-C4'-P energy: -151.013 tors. eta vs tors. theta energy: -296.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -3318.440318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.440318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.440318 (E_RNA) where: Base-Base interactions energy: -2361.190 where: short stacking energy: -973.491 Base-Backbone interact. energy: -5.097 local terms energy: -952.152715 where: bonds (distance) C4'-P energy: -172.027 bonds (distance) P-C4' energy: -168.328 flat angles C4'-P-C4' energy: -222.256 flat angles P-C4'-P energy: -122.795 tors. eta vs tors. theta energy: -266.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -3150.659494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.659494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.659494 (E_RNA) where: Base-Base interactions energy: -2251.432 where: short stacking energy: -926.898 Base-Backbone interact. energy: -7.516 local terms energy: -891.712107 where: bonds (distance) C4'-P energy: -171.768 bonds (distance) P-C4' energy: -148.119 flat angles C4'-P-C4' energy: -202.852 flat angles P-C4'-P energy: -134.316 tors. eta vs tors. theta energy: -234.657 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: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -3019.154686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.154686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.154686 (E_RNA) where: Base-Base interactions energy: -2122.679 where: short stacking energy: -915.259 Base-Backbone interact. energy: -5.611 local terms energy: -890.865211 where: bonds (distance) C4'-P energy: -147.328 bonds (distance) P-C4' energy: -175.080 flat angles C4'-P-C4' energy: -199.301 flat angles P-C4'-P energy: -123.231 tors. eta vs tors. theta energy: -245.925 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: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2949.317835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.317835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.317835 (E_RNA) where: Base-Base interactions energy: -2111.384 where: short stacking energy: -811.375 Base-Backbone interact. energy: 6.944 local terms energy: -844.877656 where: bonds (distance) C4'-P energy: -165.639 bonds (distance) P-C4' energy: -167.544 flat angles C4'-P-C4' energy: -185.524 flat angles P-C4'-P energy: -114.364 tors. eta vs tors. theta energy: -211.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2785.202628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.202628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.202628 (E_RNA) where: Base-Base interactions energy: -1914.238 where: short stacking energy: -843.315 Base-Backbone interact. energy: -4.035 local terms energy: -866.929702 where: bonds (distance) C4'-P energy: -151.147 bonds (distance) P-C4' energy: -175.951 flat angles C4'-P-C4' energy: -193.903 flat angles P-C4'-P energy: -116.745 tors. eta vs tors. theta energy: -229.184 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: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2426.675752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.675752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.675752 (E_RNA) where: Base-Base interactions energy: -1676.358 where: short stacking energy: -729.383 Base-Backbone interact. energy: -3.581 local terms energy: -746.736733 where: bonds (distance) C4'-P energy: -139.802 bonds (distance) P-C4' energy: -156.027 flat angles C4'-P-C4' energy: -184.176 flat angles P-C4'-P energy: -101.827 tors. eta vs tors. theta energy: -164.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -2295.881949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2295.881949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2295.881949 (E_RNA) where: Base-Base interactions energy: -1523.227 where: short stacking energy: -682.822 Base-Backbone interact. energy: 5.143 local terms energy: -777.798320 where: bonds (distance) C4'-P energy: -150.624 bonds (distance) P-C4' energy: -169.159 flat angles C4'-P-C4' energy: -168.441 flat angles P-C4'-P energy: -118.546 tors. eta vs tors. theta energy: -171.029 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: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1960.897630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.897630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.897630 (E_RNA) where: Base-Base interactions energy: -1323.516 where: short stacking energy: -587.145 Base-Backbone interact. energy: 3.354 local terms energy: -640.735899 where: bonds (distance) C4'-P energy: -153.903 bonds (distance) P-C4' energy: -147.852 flat angles C4'-P-C4' energy: -149.140 flat angles P-C4'-P energy: -73.761 tors. eta vs tors. theta energy: -116.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1548.339703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.339703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.339703 (E_RNA) where: Base-Base interactions energy: -1023.737 where: short stacking energy: -451.901 Base-Backbone interact. energy: -0.871 local terms energy: -523.731653 where: bonds (distance) C4'-P energy: -120.732 bonds (distance) P-C4' energy: -151.027 flat angles C4'-P-C4' energy: -102.134 flat angles P-C4'-P energy: -94.550 tors. eta vs tors. theta energy: -55.289 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: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3515.039613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.039613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.039613 (E_RNA) where: Base-Base interactions energy: -2487.751 where: short stacking energy: -1042.035 Base-Backbone interact. energy: -3.279 local terms energy: -1024.009379 where: bonds (distance) C4'-P energy: -174.202 bonds (distance) P-C4' energy: -188.965 flat angles C4'-P-C4' energy: -214.515 flat angles P-C4'-P energy: -154.525 tors. eta vs tors. theta energy: -291.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3309.858603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.858603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.858603 (E_RNA) where: Base-Base interactions energy: -2338.112 where: short stacking energy: -960.225 Base-Backbone interact. energy: -3.629 local terms energy: -968.117185 where: bonds (distance) C4'-P energy: -181.664 bonds (distance) P-C4' energy: -191.082 flat angles C4'-P-C4' energy: -210.139 flat angles P-C4'-P energy: -121.886 tors. eta vs tors. theta energy: -263.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -3125.770666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.770666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.770666 (E_RNA) where: Base-Base interactions energy: -2209.046 where: short stacking energy: -910.549 Base-Backbone interact. energy: 0.439 local terms energy: -917.163278 where: bonds (distance) C4'-P energy: -168.471 bonds (distance) P-C4' energy: -187.452 flat angles C4'-P-C4' energy: -205.389 flat angles P-C4'-P energy: -117.230 tors. eta vs tors. theta energy: -238.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2991.312919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.312919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.312919 (E_RNA) where: Base-Base interactions energy: -2130.900 where: short stacking energy: -878.667 Base-Backbone interact. energy: 2.249 local terms energy: -862.661845 where: bonds (distance) C4'-P energy: -169.617 bonds (distance) P-C4' energy: -180.731 flat angles C4'-P-C4' energy: -186.480 flat angles P-C4'-P energy: -108.065 tors. eta vs tors. theta energy: -217.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2911.565274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.565274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.565274 (E_RNA) where: Base-Base interactions energy: -2062.693 where: short stacking energy: -832.728 Base-Backbone interact. energy: -5.540 local terms energy: -843.331826 where: bonds (distance) C4'-P energy: -160.164 bonds (distance) P-C4' energy: -161.218 flat angles C4'-P-C4' energy: -192.165 flat angles P-C4'-P energy: -112.303 tors. eta vs tors. theta energy: -217.482 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: 6, replica: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2736.889442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.889442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.889442 (E_RNA) where: Base-Base interactions energy: -1910.876 where: short stacking energy: -798.703 Base-Backbone interact. energy: -1.756 local terms energy: -824.257299 where: bonds (distance) C4'-P energy: -165.354 bonds (distance) P-C4' energy: -164.051 flat angles C4'-P-C4' energy: -165.136 flat angles P-C4'-P energy: -116.924 tors. eta vs tors. theta energy: -212.792 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: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2445.359890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.359890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.359890 (E_RNA) where: Base-Base interactions energy: -1677.411 where: short stacking energy: -757.639 Base-Backbone interact. energy: 4.577 local terms energy: -772.525766 where: bonds (distance) C4'-P energy: -140.818 bonds (distance) P-C4' energy: -158.232 flat angles C4'-P-C4' energy: -175.644 flat angles P-C4'-P energy: -134.833 tors. eta vs tors. theta energy: -162.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -2277.491846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.491846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.491846 (E_RNA) where: Base-Base interactions energy: -1590.146 where: short stacking energy: -670.298 Base-Backbone interact. energy: 7.805 local terms energy: -695.150866 where: bonds (distance) C4'-P energy: -123.438 bonds (distance) P-C4' energy: -163.940 flat angles C4'-P-C4' energy: -155.560 flat angles P-C4'-P energy: -104.518 tors. eta vs tors. theta energy: -147.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1975.805281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.805281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.805281 (E_RNA) where: Base-Base interactions energy: -1329.583 where: short stacking energy: -568.307 Base-Backbone interact. energy: -2.737 local terms energy: -643.485135 where: bonds (distance) C4'-P energy: -140.982 bonds (distance) P-C4' energy: -171.484 flat angles C4'-P-C4' energy: -139.023 flat angles P-C4'-P energy: -92.448 tors. eta vs tors. theta energy: -99.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1484.287000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.287000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.287000 (E_RNA) where: Base-Base interactions energy: -952.796 where: short stacking energy: -432.624 Base-Backbone interact. energy: -0.434 local terms energy: -531.057006 where: bonds (distance) C4'-P energy: -134.843 bonds (distance) P-C4' energy: -139.059 flat angles C4'-P-C4' energy: -149.064 flat angles P-C4'-P energy: -66.322 tors. eta vs tors. theta energy: -41.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3488.621168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.621168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.621168 (E_RNA) where: Base-Base interactions energy: -2480.331 where: short stacking energy: -1055.934 Base-Backbone interact. energy: -0.905 local terms energy: -1007.384627 where: bonds (distance) C4'-P energy: -172.156 bonds (distance) P-C4' energy: -191.507 flat angles C4'-P-C4' energy: -206.295 flat angles P-C4'-P energy: -145.229 tors. eta vs tors. theta energy: -292.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3304.700510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.700510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.700510 (E_RNA) where: Base-Base interactions energy: -2351.252 where: short stacking energy: -960.744 Base-Backbone interact. energy: -4.610 local terms energy: -948.838778 where: bonds (distance) C4'-P energy: -163.674 bonds (distance) P-C4' energy: -180.897 flat angles C4'-P-C4' energy: -197.607 flat angles P-C4'-P energy: -143.412 tors. eta vs tors. theta energy: -263.250 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: 360 Temperature: 1.000000 Total energy: -3128.733525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.733525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.733525 (E_RNA) where: Base-Base interactions energy: -2184.595 where: short stacking energy: -914.335 Base-Backbone interact. energy: 1.169 local terms energy: -945.307452 where: bonds (distance) C4'-P energy: -176.562 bonds (distance) P-C4' energy: -186.229 flat angles C4'-P-C4' energy: -199.800 flat angles P-C4'-P energy: -144.858 tors. eta vs tors. theta energy: -237.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -3016.191109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.191109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.191109 (E_RNA) where: Base-Base interactions energy: -2117.499 where: short stacking energy: -911.291 Base-Backbone interact. energy: 4.050 local terms energy: -902.741801 where: bonds (distance) C4'-P energy: -181.929 bonds (distance) P-C4' energy: -154.016 flat angles C4'-P-C4' energy: -186.061 flat angles P-C4'-P energy: -142.608 tors. eta vs tors. theta energy: -238.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2875.117824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.117824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.117824 (E_RNA) where: Base-Base interactions energy: -2048.480 where: short stacking energy: -829.163 Base-Backbone interact. energy: -3.266 local terms energy: -823.372560 where: bonds (distance) C4'-P energy: -154.639 bonds (distance) P-C4' energy: -171.447 flat angles C4'-P-C4' energy: -180.835 flat angles P-C4'-P energy: -96.759 tors. eta vs tors. theta energy: -219.692 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: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2784.164832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.164832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.164832 (E_RNA) where: Base-Base interactions energy: -2002.792 where: short stacking energy: -844.995 Base-Backbone interact. energy: -3.689 local terms energy: -777.684042 where: bonds (distance) C4'-P energy: -134.945 bonds (distance) P-C4' energy: -162.380 flat angles C4'-P-C4' energy: -155.650 flat angles P-C4'-P energy: -114.064 tors. eta vs tors. theta energy: -210.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2437.969057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.969057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.969057 (E_RNA) where: Base-Base interactions energy: -1675.884 where: short stacking energy: -707.345 Base-Backbone interact. energy: -1.280 local terms energy: -760.804452 where: bonds (distance) C4'-P energy: -149.127 bonds (distance) P-C4' energy: -132.687 flat angles C4'-P-C4' energy: -167.987 flat angles P-C4'-P energy: -121.971 tors. eta vs tors. theta energy: -189.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -2259.458182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.458182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.458182 (E_RNA) where: Base-Base interactions energy: -1532.023 where: short stacking energy: -668.739 Base-Backbone interact. energy: -1.628 local terms energy: -725.807221 where: bonds (distance) C4'-P energy: -164.484 bonds (distance) P-C4' energy: -150.710 flat angles C4'-P-C4' energy: -155.955 flat angles P-C4'-P energy: -93.279 tors. eta vs tors. theta energy: -161.378 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: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -2036.285376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.285376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.285376 (E_RNA) where: Base-Base interactions energy: -1433.364 where: short stacking energy: -644.930 Base-Backbone interact. energy: -0.258 local terms energy: -602.663914 where: bonds (distance) C4'-P energy: -144.195 bonds (distance) P-C4' energy: -136.398 flat angles C4'-P-C4' energy: -140.858 flat angles P-C4'-P energy: -54.467 tors. eta vs tors. theta energy: -126.745 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: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1432.889422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.889422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.889422 (E_RNA) where: Base-Base interactions energy: -883.579 where: short stacking energy: -427.428 Base-Backbone interact. energy: 1.425 local terms energy: -550.735913 where: bonds (distance) C4'-P energy: -151.848 bonds (distance) P-C4' energy: -151.778 flat angles C4'-P-C4' energy: -154.206 flat angles P-C4'-P energy: -62.990 tors. eta vs tors. theta energy: -29.915 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: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3485.309965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.309965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.309965 (E_RNA) where: Base-Base interactions energy: -2478.398 where: short stacking energy: -1043.162 Base-Backbone interact. energy: -8.720 local terms energy: -998.192031 where: bonds (distance) C4'-P energy: -175.804 bonds (distance) P-C4' energy: -171.016 flat angles C4'-P-C4' energy: -215.033 flat angles P-C4'-P energy: -142.651 tors. eta vs tors. theta energy: -293.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3299.100738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.100738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.100738 (E_RNA) where: Base-Base interactions energy: -2357.799 where: short stacking energy: -959.490 Base-Backbone interact. energy: 3.426 local terms energy: -944.727851 where: bonds (distance) C4'-P energy: -172.808 bonds (distance) P-C4' energy: -175.305 flat angles C4'-P-C4' energy: -204.246 flat angles P-C4'-P energy: -136.721 tors. eta vs tors. theta energy: -255.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -3096.114392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.114392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.114392 (E_RNA) where: Base-Base interactions energy: -2210.098 where: short stacking energy: -926.853 Base-Backbone interact. energy: 0.943 local terms energy: -886.959478 where: bonds (distance) C4'-P energy: -150.167 bonds (distance) P-C4' energy: -174.765 flat angles C4'-P-C4' energy: -198.185 flat angles P-C4'-P energy: -122.309 tors. eta vs tors. theta energy: -241.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2974.539155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.539155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.539155 (E_RNA) where: Base-Base interactions energy: -2092.641 where: short stacking energy: -899.704 Base-Backbone interact. energy: -3.105 local terms energy: -878.793632 where: bonds (distance) C4'-P energy: -184.971 bonds (distance) P-C4' energy: -168.612 flat angles C4'-P-C4' energy: -187.856 flat angles P-C4'-P energy: -104.164 tors. eta vs tors. theta energy: -233.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2867.517429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.517429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.517429 (E_RNA) where: Base-Base interactions energy: -2021.119 where: short stacking energy: -831.147 Base-Backbone interact. energy: -2.995 local terms energy: -843.402936 where: bonds (distance) C4'-P energy: -163.735 bonds (distance) P-C4' energy: -167.667 flat angles C4'-P-C4' energy: -193.580 flat angles P-C4'-P energy: -109.350 tors. eta vs tors. theta energy: -209.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2797.941248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2797.941248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2797.941248 (E_RNA) where: Base-Base interactions energy: -1996.936 where: short stacking energy: -857.531 Base-Backbone interact. energy: -1.928 local terms energy: -799.077992 where: bonds (distance) C4'-P energy: -135.987 bonds (distance) P-C4' energy: -156.546 flat angles C4'-P-C4' energy: -175.009 flat angles P-C4'-P energy: -114.830 tors. eta vs tors. theta energy: -216.706 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: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2405.570190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.570190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.570190 (E_RNA) where: Base-Base interactions energy: -1634.248 where: short stacking energy: -726.474 Base-Backbone interact. energy: -5.318 local terms energy: -766.003732 where: bonds (distance) C4'-P energy: -149.860 bonds (distance) P-C4' energy: -151.259 flat angles C4'-P-C4' energy: -173.817 flat angles P-C4'-P energy: -102.260 tors. eta vs tors. theta energy: -188.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -2280.155993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.155993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.155993 (E_RNA) where: Base-Base interactions energy: -1556.272 where: short stacking energy: -672.938 Base-Backbone interact. energy: -1.960 local terms energy: -721.924120 where: bonds (distance) C4'-P energy: -148.728 bonds (distance) P-C4' energy: -161.938 flat angles C4'-P-C4' energy: -167.075 flat angles P-C4'-P energy: -89.848 tors. eta vs tors. theta energy: -154.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1915.824658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.824658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.824658 (E_RNA) where: Base-Base interactions energy: -1307.896 where: short stacking energy: -544.738 Base-Backbone interact. energy: -2.392 local terms energy: -605.536536 where: bonds (distance) C4'-P energy: -113.665 bonds (distance) P-C4' energy: -145.784 flat angles C4'-P-C4' energy: -141.737 flat angles P-C4'-P energy: -96.311 tors. eta vs tors. theta energy: -108.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1387.269227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.269227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.269227 (E_RNA) where: Base-Base interactions energy: -824.585 where: short stacking energy: -420.128 Base-Backbone interact. energy: 1.803 local terms energy: -564.487394 where: bonds (distance) C4'-P energy: -144.927 bonds (distance) P-C4' energy: -144.937 flat angles C4'-P-C4' energy: -151.659 flat angles P-C4'-P energy: -74.932 tors. eta vs tors. theta energy: -48.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3460.985436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.985436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.985436 (E_RNA) where: Base-Base interactions energy: -2460.899 where: short stacking energy: -1026.194 Base-Backbone interact. energy: -5.445 local terms energy: -994.640839 where: bonds (distance) C4'-P energy: -179.387 bonds (distance) P-C4' energy: -173.320 flat angles C4'-P-C4' energy: -216.239 flat angles P-C4'-P energy: -142.426 tors. eta vs tors. theta energy: -283.268 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: 2, replica: 6 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3286.408481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.408481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.408481 (E_RNA) where: Base-Base interactions energy: -2339.102 where: short stacking energy: -940.957 Base-Backbone interact. energy: -4.746 local terms energy: -942.560948 where: bonds (distance) C4'-P energy: -178.285 bonds (distance) P-C4' energy: -171.570 flat angles C4'-P-C4' energy: -199.647 flat angles P-C4'-P energy: -132.321 tors. eta vs tors. theta energy: -260.739 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: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -3111.462965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.462965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.462965 (E_RNA) where: Base-Base interactions energy: -2173.170 where: short stacking energy: -902.217 Base-Backbone interact. energy: -0.536 local terms energy: -937.757145 where: bonds (distance) C4'-P energy: -176.845 bonds (distance) P-C4' energy: -172.789 flat angles C4'-P-C4' energy: -221.874 flat angles P-C4'-P energy: -133.492 tors. eta vs tors. theta energy: -232.757 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: 362 Temperature: 1.050000 Total energy: -2984.984105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.984105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.984105 (E_RNA) where: Base-Base interactions energy: -2097.158 where: short stacking energy: -889.782 Base-Backbone interact. energy: -6.188 local terms energy: -881.637740 where: bonds (distance) C4'-P energy: -170.303 bonds (distance) P-C4' energy: -179.418 flat angles C4'-P-C4' energy: -181.892 flat angles P-C4'-P energy: -109.541 tors. eta vs tors. theta energy: -240.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2873.074768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.074768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.074768 (E_RNA) where: Base-Base interactions energy: -2011.445 where: short stacking energy: -822.306 Base-Backbone interact. energy: -2.253 local terms energy: -859.376549 where: bonds (distance) C4'-P energy: -162.177 bonds (distance) P-C4' energy: -178.413 flat angles C4'-P-C4' energy: -172.030 flat angles P-C4'-P energy: -119.401 tors. eta vs tors. theta energy: -227.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2820.707687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.707687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.707687 (E_RNA) where: Base-Base interactions energy: -1992.293 where: short stacking energy: -835.216 Base-Backbone interact. energy: -3.057 local terms energy: -825.357831 where: bonds (distance) C4'-P energy: -169.465 bonds (distance) P-C4' energy: -155.329 flat angles C4'-P-C4' energy: -177.880 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: -228.746 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: 8 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2446.233031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2446.233031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2446.233031 (E_RNA) where: Base-Base interactions energy: -1698.902 where: short stacking energy: -731.336 Base-Backbone interact. energy: 2.195 local terms energy: -749.526368 where: bonds (distance) C4'-P energy: -146.156 bonds (distance) P-C4' energy: -150.720 flat angles C4'-P-C4' energy: -179.738 flat angles P-C4'-P energy: -100.226 tors. eta vs tors. theta energy: -172.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -2326.181979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.181979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.181979 (E_RNA) where: Base-Base interactions energy: -1615.391 where: short stacking energy: -695.456 Base-Backbone interact. energy: -0.367 local terms energy: -710.423931 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -148.461 flat angles C4'-P-C4' energy: -170.375 flat angles P-C4'-P energy: -85.019 tors. eta vs tors. theta energy: -172.774 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: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1995.711316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.711316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.711316 (E_RNA) where: Base-Base interactions energy: -1353.932 where: short stacking energy: -613.912 Base-Backbone interact. energy: -2.948 local terms energy: -638.831238 where: bonds (distance) C4'-P energy: -145.393 bonds (distance) P-C4' energy: -117.970 flat angles C4'-P-C4' energy: -165.189 flat angles P-C4'-P energy: -89.389 tors. eta vs tors. theta energy: -120.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1365.763983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.763983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.763983 (E_RNA) where: Base-Base interactions energy: -834.333 where: short stacking energy: -399.819 Base-Backbone interact. energy: 9.352 local terms energy: -540.782698 where: bonds (distance) C4'-P energy: -128.278 bonds (distance) P-C4' energy: -153.712 flat angles C4'-P-C4' energy: -125.124 flat angles P-C4'-P energy: -88.158 tors. eta vs tors. theta energy: -45.511 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: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3446.996113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.996113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.996113 (E_RNA) where: Base-Base interactions energy: -2461.069 where: short stacking energy: -1046.277 Base-Backbone interact. energy: -1.940 local terms energy: -983.987121 where: bonds (distance) C4'-P energy: -169.475 bonds (distance) P-C4' energy: -175.470 flat angles C4'-P-C4' energy: -216.278 flat angles P-C4'-P energy: -143.321 tors. eta vs tors. theta energy: -279.443 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: 6 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3336.823089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3336.823089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3336.823089 (E_RNA) where: Base-Base interactions energy: -2354.246 where: short stacking energy: -971.880 Base-Backbone interact. energy: -6.620 local terms energy: -975.956781 where: bonds (distance) C4'-P energy: -168.902 bonds (distance) P-C4' energy: -183.575 flat angles C4'-P-C4' energy: -210.274 flat angles P-C4'-P energy: -136.819 tors. eta vs tors. theta energy: -276.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -3120.710287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.710287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.710287 (E_RNA) where: Base-Base interactions energy: -2205.274 where: short stacking energy: -901.549 Base-Backbone interact. energy: -0.018 local terms energy: -915.418178 where: bonds (distance) C4'-P energy: -150.683 bonds (distance) P-C4' energy: -187.198 flat angles C4'-P-C4' energy: -203.372 flat angles P-C4'-P energy: -141.712 tors. eta vs tors. theta energy: -232.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2992.434052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.434052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.434052 (E_RNA) where: Base-Base interactions energy: -2097.186 where: short stacking energy: -877.595 Base-Backbone interact. energy: -0.156 local terms energy: -895.091659 where: bonds (distance) C4'-P energy: -162.391 bonds (distance) P-C4' energy: -176.359 flat angles C4'-P-C4' energy: -190.594 flat angles P-C4'-P energy: -130.340 tors. eta vs tors. theta energy: -235.407 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: 5, replica: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2794.087726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.087726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.087726 (E_RNA) where: Base-Base interactions energy: -1963.064 where: short stacking energy: -807.110 Base-Backbone interact. energy: -4.729 local terms energy: -826.294341 where: bonds (distance) C4'-P energy: -158.314 bonds (distance) P-C4' energy: -175.920 flat angles C4'-P-C4' energy: -176.344 flat angles P-C4'-P energy: -116.484 tors. eta vs tors. theta energy: -199.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2809.678148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.678148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.678148 (E_RNA) where: Base-Base interactions energy: -1973.369 where: short stacking energy: -834.263 Base-Backbone interact. energy: -3.368 local terms energy: -832.940547 where: bonds (distance) C4'-P energy: -159.342 bonds (distance) P-C4' energy: -145.060 flat angles C4'-P-C4' energy: -196.178 flat angles P-C4'-P energy: -114.663 tors. eta vs tors. theta energy: -217.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2390.605092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.605092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.605092 (E_RNA) where: Base-Base interactions energy: -1658.608 where: short stacking energy: -718.995 Base-Backbone interact. energy: -1.782 local terms energy: -730.215861 where: bonds (distance) C4'-P energy: -150.261 bonds (distance) P-C4' energy: -139.678 flat angles C4'-P-C4' energy: -166.442 flat angles P-C4'-P energy: -101.482 tors. eta vs tors. theta energy: -172.353 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: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2363.604608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.604608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.604608 (E_RNA) where: Base-Base interactions energy: -1612.271 where: short stacking energy: -686.651 Base-Backbone interact. energy: 2.362 local terms energy: -753.695821 where: bonds (distance) C4'-P energy: -134.468 bonds (distance) P-C4' energy: -163.905 flat angles C4'-P-C4' energy: -166.616 flat angles P-C4'-P energy: -115.705 tors. eta vs tors. theta energy: -173.002 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: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1952.990005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.990005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.990005 (E_RNA) where: Base-Base interactions energy: -1314.894 where: short stacking energy: -576.418 Base-Backbone interact. energy: 2.771 local terms energy: -640.866922 where: bonds (distance) C4'-P energy: -144.545 bonds (distance) P-C4' energy: -153.854 flat angles C4'-P-C4' energy: -143.392 flat angles P-C4'-P energy: -89.100 tors. eta vs tors. theta energy: -109.977 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: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1342.930782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.930782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.930782 (E_RNA) where: Base-Base interactions energy: -833.472 where: short stacking energy: -417.327 Base-Backbone interact. energy: 4.441 local terms energy: -513.899704 where: bonds (distance) C4'-P energy: -124.842 bonds (distance) P-C4' energy: -139.208 flat angles C4'-P-C4' energy: -130.378 flat angles P-C4'-P energy: -87.227 tors. eta vs tors. theta energy: -32.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3444.609789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.609789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.609789 (E_RNA) where: Base-Base interactions energy: -2429.954 where: short stacking energy: -1020.619 Base-Backbone interact. energy: -3.357 local terms energy: -1011.298450 where: bonds (distance) C4'-P energy: -181.392 bonds (distance) P-C4' energy: -191.124 flat angles C4'-P-C4' energy: -215.089 flat angles P-C4'-P energy: -139.011 tors. eta vs tors. theta energy: -284.683 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: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3360.703422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.703422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.703422 (E_RNA) where: Base-Base interactions energy: -2395.991 where: short stacking energy: -981.255 Base-Backbone interact. energy: -1.783 local terms energy: -962.929016 where: bonds (distance) C4'-P energy: -173.059 bonds (distance) P-C4' energy: -191.721 flat angles C4'-P-C4' energy: -205.631 flat angles P-C4'-P energy: -126.369 tors. eta vs tors. theta energy: -266.147 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: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -3112.128362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.128362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.128362 (E_RNA) where: Base-Base interactions energy: -2240.745 where: short stacking energy: -950.346 Base-Backbone interact. energy: -0.976 local terms energy: -870.407641 where: bonds (distance) C4'-P energy: -161.306 bonds (distance) P-C4' energy: -166.291 flat angles C4'-P-C4' energy: -202.776 flat angles P-C4'-P energy: -111.522 tors. eta vs tors. theta energy: -228.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -3034.071389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.071389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.071389 (E_RNA) where: Base-Base interactions energy: -2150.321 where: short stacking energy: -903.893 Base-Backbone interact. energy: -3.459 local terms energy: -880.291303 where: bonds (distance) C4'-P energy: -163.639 bonds (distance) P-C4' energy: -174.746 flat angles C4'-P-C4' energy: -199.531 flat angles P-C4'-P energy: -120.872 tors. eta vs tors. theta energy: -221.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2814.018794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.018794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.018794 (E_RNA) where: Base-Base interactions energy: -1993.850 where: short stacking energy: -833.760 Base-Backbone interact. energy: 0.691 local terms energy: -820.859668 where: bonds (distance) C4'-P energy: -147.150 bonds (distance) P-C4' energy: -148.754 flat angles C4'-P-C4' energy: -196.212 flat angles P-C4'-P energy: -128.748 tors. eta vs tors. theta energy: -199.996 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: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2779.046319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.046319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.046319 (E_RNA) where: Base-Base interactions energy: -1934.953 where: short stacking energy: -830.938 Base-Backbone interact. energy: -1.456 local terms energy: -842.637990 where: bonds (distance) C4'-P energy: -149.728 bonds (distance) P-C4' energy: -172.531 flat angles C4'-P-C4' energy: -183.827 flat angles P-C4'-P energy: -118.458 tors. eta vs tors. theta energy: -218.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2511.998289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.998289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.998289 (E_RNA) where: Base-Base interactions energy: -1714.280 where: short stacking energy: -763.423 Base-Backbone interact. energy: 2.324 local terms energy: -800.042364 where: bonds (distance) C4'-P energy: -167.711 bonds (distance) P-C4' energy: -153.843 flat angles C4'-P-C4' energy: -173.647 flat angles P-C4'-P energy: -116.058 tors. eta vs tors. theta energy: -188.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -2380.553576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.553576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.553576 (E_RNA) where: Base-Base interactions energy: -1616.295 where: short stacking energy: -694.396 Base-Backbone interact. energy: -2.344 local terms energy: -761.913902 where: bonds (distance) C4'-P energy: -160.453 bonds (distance) P-C4' energy: -147.700 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -109.510 tors. eta vs tors. theta energy: -172.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -2015.917415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.917415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.917415 (E_RNA) where: Base-Base interactions energy: -1340.063 where: short stacking energy: -619.176 Base-Backbone interact. energy: 2.788 local terms energy: -678.642558 where: bonds (distance) C4'-P energy: -130.009 bonds (distance) P-C4' energy: -154.331 flat angles C4'-P-C4' energy: -167.120 flat angles P-C4'-P energy: -109.234 tors. eta vs tors. theta energy: -117.949 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: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1294.474456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.474456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.474456 (E_RNA) where: Base-Base interactions energy: -783.361 where: short stacking energy: -372.102 Base-Backbone interact. energy: -1.627 local terms energy: -509.486881 where: bonds (distance) C4'-P energy: -125.842 bonds (distance) P-C4' energy: -140.659 flat angles C4'-P-C4' energy: -134.644 flat angles P-C4'-P energy: -82.886 tors. eta vs tors. theta energy: -25.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3441.528773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.528773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.528773 (E_RNA) where: Base-Base interactions energy: -2450.024 where: short stacking energy: -1049.265 Base-Backbone interact. energy: 0.428 local terms energy: -991.933309 where: bonds (distance) C4'-P energy: -170.204 bonds (distance) P-C4' energy: -190.358 flat angles C4'-P-C4' energy: -208.609 flat angles P-C4'-P energy: -129.820 tors. eta vs tors. theta energy: -292.943 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: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3350.348026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.348026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.348026 (E_RNA) where: Base-Base interactions energy: -2375.662 where: short stacking energy: -953.457 Base-Backbone interact. energy: -4.957 local terms energy: -969.728929 where: bonds (distance) C4'-P energy: -189.583 bonds (distance) P-C4' energy: -178.419 flat angles C4'-P-C4' energy: -208.259 flat angles P-C4'-P energy: -130.086 tors. eta vs tors. theta energy: -263.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -3085.205238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.205238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.205238 (E_RNA) where: Base-Base interactions energy: -2177.654 where: short stacking energy: -886.896 Base-Backbone interact. energy: 1.923 local terms energy: -909.474591 where: bonds (distance) C4'-P energy: -175.929 bonds (distance) P-C4' energy: -176.366 flat angles C4'-P-C4' energy: -202.480 flat angles P-C4'-P energy: -136.860 tors. eta vs tors. theta energy: -217.840 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: 365 Temperature: 1.050000 Total energy: -3027.826760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.826760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.826760 (E_RNA) where: Base-Base interactions energy: -2117.102 where: short stacking energy: -894.922 Base-Backbone interact. energy: -5.240 local terms energy: -905.484719 where: bonds (distance) C4'-P energy: -185.875 bonds (distance) P-C4' energy: -178.212 flat angles C4'-P-C4' energy: -181.718 flat angles P-C4'-P energy: -128.597 tors. eta vs tors. theta energy: -231.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2831.060291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.060291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.060291 (E_RNA) where: Base-Base interactions energy: -2007.646 where: short stacking energy: -796.224 Base-Backbone interact. energy: 4.010 local terms energy: -827.424106 where: bonds (distance) C4'-P energy: -163.479 bonds (distance) P-C4' energy: -173.693 flat angles C4'-P-C4' energy: -166.029 flat angles P-C4'-P energy: -125.109 tors. eta vs tors. theta energy: -199.114 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: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2794.464127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.464127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.464127 (E_RNA) where: Base-Base interactions energy: -1976.120 where: short stacking energy: -854.305 Base-Backbone interact. energy: 0.869 local terms energy: -819.212777 where: bonds (distance) C4'-P energy: -157.005 bonds (distance) P-C4' energy: -146.955 flat angles C4'-P-C4' energy: -193.560 flat angles P-C4'-P energy: -112.530 tors. eta vs tors. theta energy: -209.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2526.543358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.543358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.543358 (E_RNA) where: Base-Base interactions energy: -1747.336 where: short stacking energy: -751.323 Base-Backbone interact. energy: -4.056 local terms energy: -775.151010 where: bonds (distance) C4'-P energy: -149.447 bonds (distance) P-C4' energy: -142.965 flat angles C4'-P-C4' energy: -183.273 flat angles P-C4'-P energy: -111.595 tors. eta vs tors. theta energy: -187.871 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: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -2344.831569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2344.831569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2344.831569 (E_RNA) where: Base-Base interactions energy: -1620.710 where: short stacking energy: -636.553 Base-Backbone interact. energy: -3.346 local terms energy: -720.775512 where: bonds (distance) C4'-P energy: -138.181 bonds (distance) P-C4' energy: -162.018 flat angles C4'-P-C4' energy: -163.967 flat angles P-C4'-P energy: -105.806 tors. eta vs tors. theta energy: -150.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1986.343188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.343188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.343188 (E_RNA) where: Base-Base interactions energy: -1369.072 where: short stacking energy: -596.509 Base-Backbone interact. energy: -1.541 local terms energy: -615.730242 where: bonds (distance) C4'-P energy: -109.512 bonds (distance) P-C4' energy: -141.990 flat angles C4'-P-C4' energy: -158.245 flat angles P-C4'-P energy: -90.788 tors. eta vs tors. theta energy: -115.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1328.942697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.942697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.942697 (E_RNA) where: Base-Base interactions energy: -780.463 where: short stacking energy: -376.338 Base-Backbone interact. energy: 4.840 local terms energy: -553.319365 where: bonds (distance) C4'-P energy: -143.404 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -145.395 flat angles P-C4'-P energy: -87.967 tors. eta vs tors. theta energy: -23.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3459.069434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3459.069434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3459.069434 (E_RNA) where: Base-Base interactions energy: -2449.596 where: short stacking energy: -1035.600 Base-Backbone interact. energy: -4.915 local terms energy: -1004.557888 where: bonds (distance) C4'-P energy: -165.592 bonds (distance) P-C4' energy: -188.559 flat angles C4'-P-C4' energy: -215.897 flat angles P-C4'-P energy: -141.888 tors. eta vs tors. theta energy: -292.622 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: 6 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3324.939911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.939911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.939911 (E_RNA) where: Base-Base interactions energy: -2380.828 where: short stacking energy: -939.476 Base-Backbone interact. energy: -2.419 local terms energy: -941.692674 where: bonds (distance) C4'-P energy: -171.106 bonds (distance) P-C4' energy: -159.020 flat angles C4'-P-C4' energy: -213.121 flat angles P-C4'-P energy: -146.526 tors. eta vs tors. theta energy: -251.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -3105.661320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.661320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.661320 (E_RNA) where: Base-Base interactions energy: -2203.547 where: short stacking energy: -920.739 Base-Backbone interact. energy: -1.525 local terms energy: -900.589361 where: bonds (distance) C4'-P energy: -159.132 bonds (distance) P-C4' energy: -172.311 flat angles C4'-P-C4' energy: -195.283 flat angles P-C4'-P energy: -133.506 tors. eta vs tors. theta energy: -240.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2984.800986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.800986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.800986 (E_RNA) where: Base-Base interactions energy: -2104.539 where: short stacking energy: -903.723 Base-Backbone interact. energy: -5.018 local terms energy: -875.244191 where: bonds (distance) C4'-P energy: -160.238 bonds (distance) P-C4' energy: -179.940 flat angles C4'-P-C4' energy: -182.765 flat angles P-C4'-P energy: -114.424 tors. eta vs tors. theta energy: -237.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2884.164350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.164350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.164350 (E_RNA) where: Base-Base interactions energy: -2037.270 where: short stacking energy: -867.719 Base-Backbone interact. energy: 0.351 local terms energy: -847.245430 where: bonds (distance) C4'-P energy: -147.379 bonds (distance) P-C4' energy: -162.572 flat angles C4'-P-C4' energy: -182.589 flat angles P-C4'-P energy: -128.518 tors. eta vs tors. theta energy: -226.188 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: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2717.579200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.579200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.579200 (E_RNA) where: Base-Base interactions energy: -1944.849 where: short stacking energy: -781.140 Base-Backbone interact. energy: -1.965 local terms energy: -770.764971 where: bonds (distance) C4'-P energy: -141.491 bonds (distance) P-C4' energy: -151.879 flat angles C4'-P-C4' energy: -172.611 flat angles P-C4'-P energy: -98.258 tors. eta vs tors. theta energy: -206.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2496.835162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.835162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.835162 (E_RNA) where: Base-Base interactions energy: -1742.067 where: short stacking energy: -769.713 Base-Backbone interact. energy: -0.590 local terms energy: -754.178966 where: bonds (distance) C4'-P energy: -139.368 bonds (distance) P-C4' energy: -148.816 flat angles C4'-P-C4' energy: -172.493 flat angles P-C4'-P energy: -100.053 tors. eta vs tors. theta energy: -193.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2320.248128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.248128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.248128 (E_RNA) where: Base-Base interactions energy: -1588.423 where: short stacking energy: -709.328 Base-Backbone interact. energy: -0.950 local terms energy: -730.875598 where: bonds (distance) C4'-P energy: -131.925 bonds (distance) P-C4' energy: -140.910 flat angles C4'-P-C4' energy: -185.313 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -173.906 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: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1978.460117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.460117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.460117 (E_RNA) where: Base-Base interactions energy: -1334.869 where: short stacking energy: -599.770 Base-Backbone interact. energy: -0.585 local terms energy: -643.006710 where: bonds (distance) C4'-P energy: -132.617 bonds (distance) P-C4' energy: -160.283 flat angles C4'-P-C4' energy: -147.853 flat angles P-C4'-P energy: -77.375 tors. eta vs tors. theta energy: -124.879 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: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1312.808011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.808011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.808011 (E_RNA) where: Base-Base interactions energy: -805.209 where: short stacking energy: -411.736 Base-Backbone interact. energy: 0.825 local terms energy: -508.424161 where: bonds (distance) C4'-P energy: -150.055 bonds (distance) P-C4' energy: -146.445 flat angles C4'-P-C4' energy: -115.356 flat angles P-C4'-P energy: -57.104 tors. eta vs tors. theta energy: -39.464 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: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3511.452499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3511.452499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3511.452499 (E_RNA) where: Base-Base interactions energy: -2484.662 where: short stacking energy: -1058.227 Base-Backbone interact. energy: -6.387 local terms energy: -1020.403412 where: bonds (distance) C4'-P energy: -176.117 bonds (distance) P-C4' energy: -198.710 flat angles C4'-P-C4' energy: -219.910 flat angles P-C4'-P energy: -138.054 tors. eta vs tors. theta energy: -287.612 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: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3323.258392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.258392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.258392 (E_RNA) where: Base-Base interactions energy: -2371.482 where: short stacking energy: -967.156 Base-Backbone interact. energy: -5.781 local terms energy: -945.995495 where: bonds (distance) C4'-P energy: -189.880 bonds (distance) P-C4' energy: -171.927 flat angles C4'-P-C4' energy: -199.379 flat angles P-C4'-P energy: -128.291 tors. eta vs tors. theta energy: -256.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -3142.123699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3142.123699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3142.123699 (E_RNA) where: Base-Base interactions energy: -2203.812 where: short stacking energy: -903.786 Base-Backbone interact. energy: -3.897 local terms energy: -934.414973 where: bonds (distance) C4'-P energy: -171.408 bonds (distance) P-C4' energy: -181.015 flat angles C4'-P-C4' energy: -203.980 flat angles P-C4'-P energy: -138.632 tors. eta vs tors. theta energy: -239.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -3033.447720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.447720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.447720 (E_RNA) where: Base-Base interactions energy: -2142.107 where: short stacking energy: -904.936 Base-Backbone interact. energy: -2.629 local terms energy: -888.711845 where: bonds (distance) C4'-P energy: -171.849 bonds (distance) P-C4' energy: -184.225 flat angles C4'-P-C4' energy: -188.931 flat angles P-C4'-P energy: -99.530 tors. eta vs tors. theta energy: -244.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2904.836783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.836783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.836783 (E_RNA) where: Base-Base interactions energy: -2035.923 where: short stacking energy: -891.705 Base-Backbone interact. energy: 2.183 local terms energy: -871.096381 where: bonds (distance) C4'-P energy: -153.402 bonds (distance) P-C4' energy: -170.047 flat angles C4'-P-C4' energy: -188.913 flat angles P-C4'-P energy: -126.557 tors. eta vs tors. theta energy: -232.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2768.136535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.136535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.136535 (E_RNA) where: Base-Base interactions energy: -1997.335 where: short stacking energy: -815.161 Base-Backbone interact. energy: -3.040 local terms energy: -767.761807 where: bonds (distance) C4'-P energy: -129.709 bonds (distance) P-C4' energy: -159.383 flat angles C4'-P-C4' energy: -171.798 flat angles P-C4'-P energy: -109.012 tors. eta vs tors. theta energy: -197.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2488.611542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.611542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.611542 (E_RNA) where: Base-Base interactions energy: -1706.770 where: short stacking energy: -743.313 Base-Backbone interact. energy: -3.324 local terms energy: -778.518069 where: bonds (distance) C4'-P energy: -156.110 bonds (distance) P-C4' energy: -165.833 flat angles C4'-P-C4' energy: -174.753 flat angles P-C4'-P energy: -93.024 tors. eta vs tors. theta energy: -188.798 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: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -2205.799873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.799873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.799873 (E_RNA) where: Base-Base interactions energy: -1496.008 where: short stacking energy: -655.033 Base-Backbone interact. energy: 2.845 local terms energy: -712.637265 where: bonds (distance) C4'-P energy: -148.886 bonds (distance) P-C4' energy: -153.924 flat angles C4'-P-C4' energy: -168.474 flat angles P-C4'-P energy: -97.202 tors. eta vs tors. theta energy: -144.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1912.640878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.640878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.640878 (E_RNA) where: Base-Base interactions energy: -1281.411 where: short stacking energy: -553.942 Base-Backbone interact. energy: -2.148 local terms energy: -629.081559 where: bonds (distance) C4'-P energy: -139.374 bonds (distance) P-C4' energy: -144.979 flat angles C4'-P-C4' energy: -162.184 flat angles P-C4'-P energy: -77.987 tors. eta vs tors. theta energy: -104.558 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: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1302.478743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.478743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.478743 (E_RNA) where: Base-Base interactions energy: -776.874 where: short stacking energy: -379.754 Base-Backbone interact. energy: -4.697 local terms energy: -520.907443 where: bonds (distance) C4'-P energy: -132.550 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -144.678 flat angles P-C4'-P energy: -71.227 tors. eta vs tors. theta energy: -18.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3492.129080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3492.129080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3492.129080 (E_RNA) where: Base-Base interactions energy: -2494.980 where: short stacking energy: -1050.084 Base-Backbone interact. energy: 0.106 local terms energy: -997.254351 where: bonds (distance) C4'-P energy: -172.226 bonds (distance) P-C4' energy: -178.757 flat angles C4'-P-C4' energy: -214.601 flat angles P-C4'-P energy: -141.597 tors. eta vs tors. theta energy: -290.073 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: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3307.924029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.924029 (E_RNA) where: Base-Base interactions energy: -2351.639 where: short stacking energy: -968.171 Base-Backbone interact. energy: 2.074 local terms energy: -958.359084 where: bonds (distance) C4'-P energy: -164.945 bonds (distance) P-C4' energy: -176.943 flat angles C4'-P-C4' energy: -214.747 flat angles P-C4'-P energy: -131.060 tors. eta vs tors. theta energy: -270.664 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: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -3106.173798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.173798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.173798 (E_RNA) where: Base-Base interactions energy: -2184.835 where: short stacking energy: -932.142 Base-Backbone interact. energy: 3.131 local terms energy: -924.470571 where: bonds (distance) C4'-P energy: -182.501 bonds (distance) P-C4' energy: -173.665 flat angles C4'-P-C4' energy: -198.534 flat angles P-C4'-P energy: -122.619 tors. eta vs tors. theta energy: -247.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -3016.168464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.168464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.168464 (E_RNA) where: Base-Base interactions energy: -2134.873 where: short stacking energy: -909.014 Base-Backbone interact. energy: -3.225 local terms energy: -878.070216 where: bonds (distance) C4'-P energy: -167.671 bonds (distance) P-C4' energy: -170.078 flat angles C4'-P-C4' energy: -192.035 flat angles P-C4'-P energy: -120.442 tors. eta vs tors. theta energy: -227.844 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: 9 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2918.628148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.628148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.628148 (E_RNA) where: Base-Base interactions energy: -2025.621 where: short stacking energy: -865.224 Base-Backbone interact. energy: -5.043 local terms energy: -887.964646 where: bonds (distance) C4'-P energy: -165.759 bonds (distance) P-C4' energy: -167.677 flat angles C4'-P-C4' energy: -180.802 flat angles P-C4'-P energy: -150.110 tors. eta vs tors. theta energy: -223.618 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: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2810.609117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.609117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.609117 (E_RNA) where: Base-Base interactions energy: -1993.520 where: short stacking energy: -778.027 Base-Backbone interact. energy: -4.750 local terms energy: -812.338521 where: bonds (distance) C4'-P energy: -177.566 bonds (distance) P-C4' energy: -149.430 flat angles C4'-P-C4' energy: -172.280 flat angles P-C4'-P energy: -104.353 tors. eta vs tors. theta energy: -208.711 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: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2489.031571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.031571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.031571 (E_RNA) where: Base-Base interactions energy: -1685.705 where: short stacking energy: -748.281 Base-Backbone interact. energy: -1.763 local terms energy: -801.563797 where: bonds (distance) C4'-P energy: -141.809 bonds (distance) P-C4' energy: -169.533 flat angles C4'-P-C4' energy: -183.631 flat angles P-C4'-P energy: -109.447 tors. eta vs tors. theta energy: -197.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -2214.983396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.983396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.983396 (E_RNA) where: Base-Base interactions energy: -1502.224 where: short stacking energy: -668.058 Base-Backbone interact. energy: 2.390 local terms energy: -715.149400 where: bonds (distance) C4'-P energy: -150.652 bonds (distance) P-C4' energy: -161.227 flat angles C4'-P-C4' energy: -152.816 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -160.209 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: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1997.586990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.586990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.586990 (E_RNA) where: Base-Base interactions energy: -1324.849 where: short stacking energy: -581.575 Base-Backbone interact. energy: -2.748 local terms energy: -669.990586 where: bonds (distance) C4'-P energy: -134.633 bonds (distance) P-C4' energy: -155.004 flat angles C4'-P-C4' energy: -149.725 flat angles P-C4'-P energy: -96.021 tors. eta vs tors. theta energy: -134.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1410.135298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.135298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.135298 (E_RNA) where: Base-Base interactions energy: -879.594 where: short stacking energy: -434.958 Base-Backbone interact. energy: 3.929 local terms energy: -534.470400 where: bonds (distance) C4'-P energy: -149.591 bonds (distance) P-C4' energy: -139.662 flat angles C4'-P-C4' energy: -136.381 flat angles P-C4'-P energy: -67.960 tors. eta vs tors. theta energy: -40.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3468.201272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.201272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.201272 (E_RNA) where: Base-Base interactions energy: -2476.576 where: short stacking energy: -1038.266 Base-Backbone interact. energy: -1.003 local terms energy: -990.621457 where: bonds (distance) C4'-P energy: -170.773 bonds (distance) P-C4' energy: -185.461 flat angles C4'-P-C4' energy: -204.626 flat angles P-C4'-P energy: -143.137 tors. eta vs tors. theta energy: -286.625 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: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3330.932975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.932975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.932975 (E_RNA) where: Base-Base interactions energy: -2378.069 where: short stacking energy: -953.390 Base-Backbone interact. energy: -1.319 local terms energy: -951.544411 where: bonds (distance) C4'-P energy: -170.054 bonds (distance) P-C4' energy: -172.553 flat angles C4'-P-C4' energy: -209.309 flat angles P-C4'-P energy: -142.406 tors. eta vs tors. theta energy: -257.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -3134.475834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.475834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.475834 (E_RNA) where: Base-Base interactions energy: -2223.128 where: short stacking energy: -954.237 Base-Backbone interact. energy: -3.295 local terms energy: -908.053486 where: bonds (distance) C4'-P energy: -167.883 bonds (distance) P-C4' energy: -154.826 flat angles C4'-P-C4' energy: -210.132 flat angles P-C4'-P energy: -139.588 tors. eta vs tors. theta energy: -235.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -3036.745586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.745586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.745586 (E_RNA) where: Base-Base interactions energy: -2142.133 where: short stacking energy: -955.790 Base-Backbone interact. energy: -3.608 local terms energy: -891.004857 where: bonds (distance) C4'-P energy: -147.126 bonds (distance) P-C4' energy: -143.241 flat angles C4'-P-C4' energy: -207.610 flat angles P-C4'-P energy: -137.422 tors. eta vs tors. theta energy: -255.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2944.503319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.503319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.503319 (E_RNA) where: Base-Base interactions energy: -2070.099 where: short stacking energy: -866.372 Base-Backbone interact. energy: -2.377 local terms energy: -872.027146 where: bonds (distance) C4'-P energy: -176.821 bonds (distance) P-C4' energy: -169.497 flat angles C4'-P-C4' energy: -182.069 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -224.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2828.627230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.627230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.627230 (E_RNA) where: Base-Base interactions energy: -2031.653 where: short stacking energy: -780.176 Base-Backbone interact. energy: 6.678 local terms energy: -803.652167 where: bonds (distance) C4'-P energy: -159.907 bonds (distance) P-C4' energy: -154.405 flat angles C4'-P-C4' energy: -176.529 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -204.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2438.182783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.182783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.182783 (E_RNA) where: Base-Base interactions energy: -1657.529 where: short stacking energy: -736.330 Base-Backbone interact. energy: 10.315 local terms energy: -790.968992 where: bonds (distance) C4'-P energy: -144.360 bonds (distance) P-C4' energy: -172.594 flat angles C4'-P-C4' energy: -171.696 flat angles P-C4'-P energy: -120.282 tors. eta vs tors. theta energy: -182.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -2288.281664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.281664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.281664 (E_RNA) where: Base-Base interactions energy: -1550.876 where: short stacking energy: -726.002 Base-Backbone interact. energy: -0.412 local terms energy: -736.993327 where: bonds (distance) C4'-P energy: -141.764 bonds (distance) P-C4' energy: -138.642 flat angles C4'-P-C4' energy: -163.483 flat angles P-C4'-P energy: -109.683 tors. eta vs tors. theta energy: -183.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1957.368594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.368594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.368594 (E_RNA) where: Base-Base interactions energy: -1301.939 where: short stacking energy: -609.826 Base-Backbone interact. energy: 2.217 local terms energy: -657.645978 where: bonds (distance) C4'-P energy: -141.042 bonds (distance) P-C4' energy: -137.526 flat angles C4'-P-C4' energy: -152.324 flat angles P-C4'-P energy: -101.172 tors. eta vs tors. theta energy: -125.582 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: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1390.515816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.515816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.515816 (E_RNA) where: Base-Base interactions energy: -855.862 where: short stacking energy: -403.595 Base-Backbone interact. energy: 6.962 local terms energy: -541.615425 where: bonds (distance) C4'-P energy: -132.469 bonds (distance) P-C4' energy: -138.050 flat angles C4'-P-C4' energy: -159.342 flat angles P-C4'-P energy: -80.825 tors. eta vs tors. theta energy: -30.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3474.611579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.611579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.611579 (E_RNA) where: Base-Base interactions energy: -2458.596 where: short stacking energy: -1029.188 Base-Backbone interact. energy: -5.269 local terms energy: -1010.746694 where: bonds (distance) C4'-P energy: -183.605 bonds (distance) P-C4' energy: -165.541 flat angles C4'-P-C4' energy: -210.215 flat angles P-C4'-P energy: -154.804 tors. eta vs tors. theta energy: -296.582 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: 6 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3313.469921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.469921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.469921 (E_RNA) where: Base-Base interactions energy: -2354.719 where: short stacking energy: -939.681 Base-Backbone interact. energy: -4.989 local terms energy: -953.762129 where: bonds (distance) C4'-P energy: -180.741 bonds (distance) P-C4' energy: -181.616 flat angles C4'-P-C4' energy: -197.221 flat angles P-C4'-P energy: -136.595 tors. eta vs tors. theta energy: -257.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -3133.595749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.595749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.595749 (E_RNA) where: Base-Base interactions energy: -2251.128 where: short stacking energy: -903.437 Base-Backbone interact. energy: 2.686 local terms energy: -885.153987 where: bonds (distance) C4'-P energy: -149.534 bonds (distance) P-C4' energy: -152.014 flat angles C4'-P-C4' energy: -202.685 flat angles P-C4'-P energy: -148.547 tors. eta vs tors. theta energy: -232.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -3020.983804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.983804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.983804 (E_RNA) where: Base-Base interactions energy: -2109.397 where: short stacking energy: -930.526 Base-Backbone interact. energy: -5.764 local terms energy: -905.822376 where: bonds (distance) C4'-P energy: -166.792 bonds (distance) P-C4' energy: -174.666 flat angles C4'-P-C4' energy: -198.173 flat angles P-C4'-P energy: -117.698 tors. eta vs tors. theta energy: -248.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2935.434044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.434044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.434044 (E_RNA) where: Base-Base interactions energy: -2088.571 where: short stacking energy: -895.672 Base-Backbone interact. energy: -2.636 local terms energy: -844.226371 where: bonds (distance) C4'-P energy: -146.710 bonds (distance) P-C4' energy: -145.254 flat angles C4'-P-C4' energy: -193.371 flat angles P-C4'-P energy: -118.596 tors. eta vs tors. theta energy: -240.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2785.509184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.509184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.509184 (E_RNA) where: Base-Base interactions energy: -1984.346 where: short stacking energy: -788.367 Base-Backbone interact. energy: 4.134 local terms energy: -805.297279 where: bonds (distance) C4'-P energy: -146.584 bonds (distance) P-C4' energy: -164.732 flat angles C4'-P-C4' energy: -198.991 flat angles P-C4'-P energy: -93.174 tors. eta vs tors. theta energy: -201.816 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: 7, replica: 8 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -2491.560356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.560356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.560356 (E_RNA) where: Base-Base interactions energy: -1709.092 where: short stacking energy: -781.544 Base-Backbone interact. energy: -2.315 local terms energy: -780.153935 where: bonds (distance) C4'-P energy: -127.970 bonds (distance) P-C4' energy: -157.417 flat angles C4'-P-C4' energy: -173.205 flat angles P-C4'-P energy: -112.606 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: 8, replica: 1 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2238.170709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.170709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.170709 (E_RNA) where: Base-Base interactions energy: -1535.563 where: short stacking energy: -683.953 Base-Backbone interact. energy: -1.194 local terms energy: -701.413090 where: bonds (distance) C4'-P energy: -136.904 bonds (distance) P-C4' energy: -146.059 flat angles C4'-P-C4' energy: -171.754 flat angles P-C4'-P energy: -98.652 tors. eta vs tors. theta energy: -148.045 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: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1934.068351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.068351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.068351 (E_RNA) where: Base-Base interactions energy: -1258.967 where: short stacking energy: -567.570 Base-Backbone interact. energy: 0.419 local terms energy: -675.520857 where: bonds (distance) C4'-P energy: -153.153 bonds (distance) P-C4' energy: -171.162 flat angles C4'-P-C4' energy: -143.876 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -121.150 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: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1284.842841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.842841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.842841 (E_RNA) where: Base-Base interactions energy: -757.161 where: short stacking energy: -350.099 Base-Backbone interact. energy: 6.490 local terms energy: -534.172271 where: bonds (distance) C4'-P energy: -133.347 bonds (distance) P-C4' energy: -145.173 flat angles C4'-P-C4' energy: -147.538 flat angles P-C4'-P energy: -91.895 tors. eta vs tors. theta energy: -16.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3468.407537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.407537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.407537 (E_RNA) where: Base-Base interactions energy: -2451.454 where: short stacking energy: -1044.173 Base-Backbone interact. energy: -1.778 local terms energy: -1015.175826 where: bonds (distance) C4'-P energy: -184.530 bonds (distance) P-C4' energy: -187.804 flat angles C4'-P-C4' energy: -213.267 flat angles P-C4'-P energy: -145.624 tors. eta vs tors. theta energy: -283.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3339.270573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.270573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.270573 (E_RNA) where: Base-Base interactions energy: -2385.736 where: short stacking energy: -967.063 Base-Backbone interact. energy: -3.513 local terms energy: -950.021867 where: bonds (distance) C4'-P energy: -167.697 bonds (distance) P-C4' energy: -169.561 flat angles C4'-P-C4' energy: -209.797 flat angles P-C4'-P energy: -128.046 tors. eta vs tors. theta energy: -274.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -3099.446977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.446977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.446977 (E_RNA) where: Base-Base interactions energy: -2155.630 where: short stacking energy: -896.322 Base-Backbone interact. energy: -0.313 local terms energy: -943.504682 where: bonds (distance) C4'-P energy: -171.662 bonds (distance) P-C4' energy: -180.509 flat angles C4'-P-C4' energy: -214.397 flat angles P-C4'-P energy: -152.224 tors. eta vs tors. theta energy: -224.712 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: 9 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -3053.002880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.002880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.002880 (E_RNA) where: Base-Base interactions energy: -2138.870 where: short stacking energy: -923.386 Base-Backbone interact. energy: -2.790 local terms energy: -911.342276 where: bonds (distance) C4'-P energy: -158.339 bonds (distance) P-C4' energy: -167.275 flat angles C4'-P-C4' energy: -203.534 flat angles P-C4'-P energy: -134.056 tors. eta vs tors. theta energy: -248.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2890.656290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.656290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.656290 (E_RNA) where: Base-Base interactions energy: -2027.818 where: short stacking energy: -844.675 Base-Backbone interact. energy: -4.926 local terms energy: -857.912607 where: bonds (distance) C4'-P energy: -180.428 bonds (distance) P-C4' energy: -155.017 flat angles C4'-P-C4' energy: -177.122 flat angles P-C4'-P energy: -123.962 tors. eta vs tors. theta energy: -221.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2756.657687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.657687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.657687 (E_RNA) where: Base-Base interactions energy: -1926.299 where: short stacking energy: -787.713 Base-Backbone interact. energy: 8.385 local terms energy: -838.744265 where: bonds (distance) C4'-P energy: -165.290 bonds (distance) P-C4' energy: -166.529 flat angles C4'-P-C4' energy: -181.665 flat angles P-C4'-P energy: -114.404 tors. eta vs tors. theta energy: -210.856 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: 371 Temperature: 1.200000 Total energy: -2507.470644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.470644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.470644 (E_RNA) where: Base-Base interactions energy: -1730.933 where: short stacking energy: -745.659 Base-Backbone interact. energy: -4.368 local terms energy: -772.169611 where: bonds (distance) C4'-P energy: -147.394 bonds (distance) P-C4' energy: -159.184 flat angles C4'-P-C4' energy: -160.338 flat angles P-C4'-P energy: -108.236 tors. eta vs tors. theta energy: -197.018 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: 1 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -2340.421913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.421913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.421913 (E_RNA) where: Base-Base interactions energy: -1577.744 where: short stacking energy: -699.793 Base-Backbone interact. energy: -3.662 local terms energy: -759.016621 where: bonds (distance) C4'-P energy: -147.820 bonds (distance) P-C4' energy: -166.784 flat angles C4'-P-C4' energy: -162.801 flat angles P-C4'-P energy: -101.608 tors. eta vs tors. theta energy: -180.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1862.073877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.073877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.073877 (E_RNA) where: Base-Base interactions energy: -1234.118 where: short stacking energy: -539.552 Base-Backbone interact. energy: -1.609 local terms energy: -626.347235 where: bonds (distance) C4'-P energy: -137.795 bonds (distance) P-C4' energy: -142.861 flat angles C4'-P-C4' energy: -159.082 flat angles P-C4'-P energy: -90.390 tors. eta vs tors. theta energy: -96.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1372.017399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.017399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.017399 (E_RNA) where: Base-Base interactions energy: -875.087 where: short stacking energy: -393.890 Base-Backbone interact. energy: 3.589 local terms energy: -500.520181 where: bonds (distance) C4'-P energy: -113.422 bonds (distance) P-C4' energy: -147.570 flat angles C4'-P-C4' energy: -127.386 flat angles P-C4'-P energy: -79.002 tors. eta vs tors. theta energy: -33.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3470.304365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.304365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.304365 (E_RNA) where: Base-Base interactions energy: -2479.950 where: short stacking energy: -1031.874 Base-Backbone interact. energy: -4.538 local terms energy: -985.816878 where: bonds (distance) C4'-P energy: -165.955 bonds (distance) P-C4' energy: -189.088 flat angles C4'-P-C4' energy: -205.649 flat angles P-C4'-P energy: -137.800 tors. eta vs tors. theta energy: -287.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -3317.380432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.380432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.380432 (E_RNA) where: Base-Base interactions energy: -2355.147 where: short stacking energy: -944.866 Base-Backbone interact. energy: -4.042 local terms energy: -958.191420 where: bonds (distance) C4'-P energy: -177.014 bonds (distance) P-C4' energy: -174.852 flat angles C4'-P-C4' energy: -198.731 flat angles P-C4'-P energy: -146.829 tors. eta vs tors. theta energy: -260.765 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: 7 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -3110.757306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.757306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.757306 (E_RNA) where: Base-Base interactions energy: -2198.980 where: short stacking energy: -958.331 Base-Backbone interact. energy: -1.112 local terms energy: -910.665284 where: bonds (distance) C4'-P energy: -152.033 bonds (distance) P-C4' energy: -187.499 flat angles C4'-P-C4' energy: -197.220 flat angles P-C4'-P energy: -124.971 tors. eta vs tors. theta energy: -248.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -3050.271849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.271849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.271849 (E_RNA) where: Base-Base interactions energy: -2121.615 where: short stacking energy: -920.798 Base-Backbone interact. energy: 1.216 local terms energy: -929.872877 where: bonds (distance) C4'-P energy: -172.987 bonds (distance) P-C4' energy: -164.829 flat angles C4'-P-C4' energy: -201.757 flat angles P-C4'-P energy: -144.075 tors. eta vs tors. theta energy: -246.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2878.979422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.979422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.979422 (E_RNA) where: Base-Base interactions energy: -2025.350 where: short stacking energy: -847.413 Base-Backbone interact. energy: -3.139 local terms energy: -850.490489 where: bonds (distance) C4'-P energy: -148.663 bonds (distance) P-C4' energy: -185.977 flat angles C4'-P-C4' energy: -184.066 flat angles P-C4'-P energy: -115.477 tors. eta vs tors. theta energy: -216.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2781.680511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.680511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.680511 (E_RNA) where: Base-Base interactions energy: -1955.014 where: short stacking energy: -784.302 Base-Backbone interact. energy: -0.561 local terms energy: -826.105598 where: bonds (distance) C4'-P energy: -152.544 bonds (distance) P-C4' energy: -170.318 flat angles C4'-P-C4' energy: -169.561 flat angles P-C4'-P energy: -112.222 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: 7, replica: 8 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2548.026433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.026433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.026433 (E_RNA) where: Base-Base interactions energy: -1750.200 where: short stacking energy: -754.435 Base-Backbone interact. energy: -5.802 local terms energy: -792.024305 where: bonds (distance) C4'-P energy: -157.544 bonds (distance) P-C4' energy: -165.696 flat angles C4'-P-C4' energy: -179.929 flat angles P-C4'-P energy: -91.033 tors. eta vs tors. theta energy: -197.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -2252.003646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.003646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.003646 (E_RNA) where: Base-Base interactions energy: -1534.806 where: short stacking energy: -664.628 Base-Backbone interact. energy: 4.474 local terms energy: -721.671561 where: bonds (distance) C4'-P energy: -136.989 bonds (distance) P-C4' energy: -157.419 flat angles C4'-P-C4' energy: -173.538 flat angles P-C4'-P energy: -100.847 tors. eta vs tors. theta energy: -152.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1869.726342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.726342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.726342 (E_RNA) where: Base-Base interactions energy: -1213.984 where: short stacking energy: -529.938 Base-Backbone interact. energy: 2.717 local terms energy: -658.459057 where: bonds (distance) C4'-P energy: -157.411 bonds (distance) P-C4' energy: -159.788 flat angles C4'-P-C4' energy: -156.158 flat angles P-C4'-P energy: -86.942 tors. eta vs tors. theta energy: -98.160 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: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1526.282940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.282940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.282940 (E_RNA) where: Base-Base interactions energy: -961.756 where: short stacking energy: -426.850 Base-Backbone interact. energy: -2.155 local terms energy: -562.372402 where: bonds (distance) C4'-P energy: -152.365 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -137.222 flat angles P-C4'-P energy: -85.324 tors. eta vs tors. theta energy: -48.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3479.426773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.426773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.426773 (E_RNA) where: Base-Base interactions energy: -2468.522 where: short stacking energy: -1017.117 Base-Backbone interact. energy: -0.242 local terms energy: -1010.662688 where: bonds (distance) C4'-P energy: -199.238 bonds (distance) P-C4' energy: -178.174 flat angles C4'-P-C4' energy: -209.189 flat angles P-C4'-P energy: -130.710 tors. eta vs tors. theta energy: -293.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3348.685004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.685004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.685004 (E_RNA) where: Base-Base interactions energy: -2373.430 where: short stacking energy: -952.681 Base-Backbone interact. energy: -3.430 local terms energy: -971.824271 where: bonds (distance) C4'-P energy: -176.322 bonds (distance) P-C4' energy: -176.101 flat angles C4'-P-C4' energy: -200.903 flat angles P-C4'-P energy: -153.223 tors. eta vs tors. theta energy: -265.275 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: 7 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -3119.793855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.793855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.793855 (E_RNA) where: Base-Base interactions energy: -2221.447 where: short stacking energy: -935.895 Base-Backbone interact. energy: 1.118 local terms energy: -899.464996 where: bonds (distance) C4'-P energy: -172.207 bonds (distance) P-C4' energy: -172.395 flat angles C4'-P-C4' energy: -189.527 flat angles P-C4'-P energy: -121.349 tors. eta vs tors. theta energy: -243.987 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: 373 Temperature: 1.050000 Total energy: -3024.285533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.285533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.285533 (E_RNA) where: Base-Base interactions energy: -2118.332 where: short stacking energy: -934.241 Base-Backbone interact. energy: -3.708 local terms energy: -902.245236 where: bonds (distance) C4'-P energy: -164.625 bonds (distance) P-C4' energy: -173.645 flat angles C4'-P-C4' energy: -194.912 flat angles P-C4'-P energy: -112.377 tors. eta vs tors. theta energy: -256.687 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: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2849.955471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.955471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.955471 (E_RNA) where: Base-Base interactions energy: -2027.485 where: short stacking energy: -825.280 Base-Backbone interact. energy: 0.074 local terms energy: -822.545334 where: bonds (distance) C4'-P energy: -163.945 bonds (distance) P-C4' energy: -159.580 flat angles C4'-P-C4' energy: -165.370 flat angles P-C4'-P energy: -120.198 tors. eta vs tors. theta energy: -213.454 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: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2792.251912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.251912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.251912 (E_RNA) where: Base-Base interactions energy: -1962.209 where: short stacking energy: -806.658 Base-Backbone interact. energy: 2.394 local terms energy: -832.436973 where: bonds (distance) C4'-P energy: -162.883 bonds (distance) P-C4' energy: -165.699 flat angles C4'-P-C4' energy: -187.497 flat angles P-C4'-P energy: -100.889 tors. eta vs tors. theta energy: -215.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2547.354133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.354133 (E_RNA) where: Base-Base interactions energy: -1765.510 where: short stacking energy: -786.403 Base-Backbone interact. energy: -2.339 local terms energy: -779.504816 where: bonds (distance) C4'-P energy: -164.514 bonds (distance) P-C4' energy: -146.920 flat angles C4'-P-C4' energy: -158.506 flat angles P-C4'-P energy: -112.333 tors. eta vs tors. theta energy: -197.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -2336.886926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.886926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.886926 (E_RNA) where: Base-Base interactions energy: -1600.288 where: short stacking energy: -722.035 Base-Backbone interact. energy: -1.799 local terms energy: -734.799798 where: bonds (distance) C4'-P energy: -136.873 bonds (distance) P-C4' energy: -151.042 flat angles C4'-P-C4' energy: -165.857 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -181.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1925.043223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.043223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.043223 (E_RNA) where: Base-Base interactions energy: -1284.723 where: short stacking energy: -578.455 Base-Backbone interact. energy: -0.344 local terms energy: -639.976542 where: bonds (distance) C4'-P energy: -151.271 bonds (distance) P-C4' energy: -153.078 flat angles C4'-P-C4' energy: -158.599 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: -97.104 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: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1559.342967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.342967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.342967 (E_RNA) where: Base-Base interactions energy: -989.283 where: short stacking energy: -441.600 Base-Backbone interact. energy: 3.602 local terms energy: -573.661695 where: bonds (distance) C4'-P energy: -134.752 bonds (distance) P-C4' energy: -155.760 flat angles C4'-P-C4' energy: -147.091 flat angles P-C4'-P energy: -75.037 tors. eta vs tors. theta energy: -61.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3425.681632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.681632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.681632 (E_RNA) where: Base-Base interactions energy: -2444.345 where: short stacking energy: -1031.082 Base-Backbone interact. energy: -2.252 local terms energy: -979.084556 where: bonds (distance) C4'-P energy: -161.426 bonds (distance) P-C4' energy: -189.926 flat angles C4'-P-C4' energy: -211.344 flat angles P-C4'-P energy: -135.129 tors. eta vs tors. theta energy: -281.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3366.072816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3366.072816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3366.072816 (E_RNA) where: Base-Base interactions energy: -2435.584 where: short stacking energy: -945.980 Base-Backbone interact. energy: -0.688 local terms energy: -929.800129 where: bonds (distance) C4'-P energy: -165.241 bonds (distance) P-C4' energy: -179.698 flat angles C4'-P-C4' energy: -211.789 flat angles P-C4'-P energy: -118.386 tors. eta vs tors. theta energy: -254.687 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: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -3129.309438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.309438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.309438 (E_RNA) where: Base-Base interactions energy: -2164.747 where: short stacking energy: -960.648 Base-Backbone interact. energy: -4.628 local terms energy: -959.933534 where: bonds (distance) C4'-P energy: -177.137 bonds (distance) P-C4' energy: -179.394 flat angles C4'-P-C4' energy: -200.690 flat angles P-C4'-P energy: -137.650 tors. eta vs tors. theta energy: -265.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -3046.304176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.304176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.304176 (E_RNA) where: Base-Base interactions energy: -2145.424 where: short stacking energy: -902.107 Base-Backbone interact. energy: -1.133 local terms energy: -899.746795 where: bonds (distance) C4'-P energy: -166.284 bonds (distance) P-C4' energy: -177.086 flat angles C4'-P-C4' energy: -193.462 flat angles P-C4'-P energy: -137.501 tors. eta vs tors. theta energy: -225.414 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: 5, replica: 4 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2808.461388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.461388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.461388 (E_RNA) where: Base-Base interactions energy: -1988.924 where: short stacking energy: -800.554 Base-Backbone interact. energy: -3.192 local terms energy: -816.345850 where: bonds (distance) C4'-P energy: -159.891 bonds (distance) P-C4' energy: -167.817 flat angles C4'-P-C4' energy: -179.483 flat angles P-C4'-P energy: -117.776 tors. eta vs tors. theta energy: -191.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2792.854772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.854772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.854772 (E_RNA) where: Base-Base interactions energy: -1972.738 where: short stacking energy: -796.672 Base-Backbone interact. energy: 4.253 local terms energy: -824.369425 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -176.263 flat angles C4'-P-C4' energy: -193.086 flat angles P-C4'-P energy: -111.740 tors. eta vs tors. theta energy: -196.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2560.008303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.008303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.008303 (E_RNA) where: Base-Base interactions energy: -1761.503 where: short stacking energy: -766.371 Base-Backbone interact. energy: -0.968 local terms energy: -797.536776 where: bonds (distance) C4'-P energy: -133.531 bonds (distance) P-C4' energy: -157.231 flat angles C4'-P-C4' energy: -181.132 flat angles P-C4'-P energy: -125.042 tors. eta vs tors. theta energy: -200.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -2333.003978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2333.003978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2333.003978 (E_RNA) where: Base-Base interactions energy: -1607.256 where: short stacking energy: -678.036 Base-Backbone interact. energy: 5.867 local terms energy: -731.614911 where: bonds (distance) C4'-P energy: -148.047 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -173.204 flat angles P-C4'-P energy: -99.858 tors. eta vs tors. theta energy: -155.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1939.109364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.109364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.109364 (E_RNA) where: Base-Base interactions energy: -1295.082 where: short stacking energy: -599.340 Base-Backbone interact. energy: -4.363 local terms energy: -639.664108 where: bonds (distance) C4'-P energy: -149.098 bonds (distance) P-C4' energy: -131.409 flat angles C4'-P-C4' energy: -160.872 flat angles P-C4'-P energy: -79.974 tors. eta vs tors. theta energy: -118.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1565.985397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.985397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.985397 (E_RNA) where: Base-Base interactions energy: -997.801 where: short stacking energy: -455.156 Base-Backbone interact. energy: 1.694 local terms energy: -569.878467 where: bonds (distance) C4'-P energy: -142.052 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -128.953 flat angles P-C4'-P energy: -82.094 tors. eta vs tors. theta energy: -76.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3437.662452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.662452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.662452 (E_RNA) where: Base-Base interactions energy: -2443.025 where: short stacking energy: -1040.519 Base-Backbone interact. energy: -3.562 local terms energy: -991.075401 where: bonds (distance) C4'-P energy: -170.868 bonds (distance) P-C4' energy: -171.428 flat angles C4'-P-C4' energy: -208.851 flat angles P-C4'-P energy: -147.508 tors. eta vs tors. theta energy: -292.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3352.432220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3352.432220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3352.432220 (E_RNA) where: Base-Base interactions energy: -2399.417 where: short stacking energy: -972.915 Base-Backbone interact. energy: -1.704 local terms energy: -951.310700 where: bonds (distance) C4'-P energy: -188.560 bonds (distance) P-C4' energy: -177.448 flat angles C4'-P-C4' energy: -200.760 flat angles P-C4'-P energy: -130.410 tors. eta vs tors. theta energy: -254.132 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: 375 Temperature: 1.000000 Total energy: -3181.667371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.667371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.667371 (E_RNA) where: Base-Base interactions energy: -2226.077 where: short stacking energy: -987.878 Base-Backbone interact. energy: -1.504 local terms energy: -954.086889 where: bonds (distance) C4'-P energy: -188.355 bonds (distance) P-C4' energy: -172.179 flat angles C4'-P-C4' energy: -189.292 flat angles P-C4'-P energy: -138.832 tors. eta vs tors. theta energy: -265.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -3051.330634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.330634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.330634 (E_RNA) where: Base-Base interactions energy: -2147.462 where: short stacking energy: -899.654 Base-Backbone interact. energy: -4.278 local terms energy: -899.589792 where: bonds (distance) C4'-P energy: -167.225 bonds (distance) P-C4' energy: -177.768 flat angles C4'-P-C4' energy: -197.439 flat angles P-C4'-P energy: -135.556 tors. eta vs tors. theta energy: -221.601 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: 375 Temperature: 1.100000 Total energy: -2844.778653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.778653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.778653 (E_RNA) where: Base-Base interactions energy: -2017.323 where: short stacking energy: -847.457 Base-Backbone interact. energy: -1.835 local terms energy: -825.620729 where: bonds (distance) C4'-P energy: -144.654 bonds (distance) P-C4' energy: -145.567 flat angles C4'-P-C4' energy: -198.268 flat angles P-C4'-P energy: -109.936 tors. eta vs tors. theta energy: -227.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2790.504562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.504562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.504562 (E_RNA) where: Base-Base interactions energy: -1954.837 where: short stacking energy: -780.702 Base-Backbone interact. energy: -0.507 local terms energy: -835.160202 where: bonds (distance) C4'-P energy: -165.002 bonds (distance) P-C4' energy: -164.188 flat angles C4'-P-C4' energy: -177.125 flat angles P-C4'-P energy: -111.336 tors. eta vs tors. theta energy: -217.510 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: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2437.126894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.126894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.126894 (E_RNA) where: Base-Base interactions energy: -1682.738 where: short stacking energy: -747.691 Base-Backbone interact. energy: -3.253 local terms energy: -751.136537 where: bonds (distance) C4'-P energy: -132.786 bonds (distance) P-C4' energy: -153.843 flat angles C4'-P-C4' energy: -181.151 flat angles P-C4'-P energy: -110.974 tors. eta vs tors. theta energy: -172.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2322.424994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.424994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.424994 (E_RNA) where: Base-Base interactions energy: -1573.404 where: short stacking energy: -701.166 Base-Backbone interact. energy: 1.386 local terms energy: -750.407129 where: bonds (distance) C4'-P energy: -149.348 bonds (distance) P-C4' energy: -139.088 flat angles C4'-P-C4' energy: -179.569 flat angles P-C4'-P energy: -96.156 tors. eta vs tors. theta energy: -186.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -2017.119620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.119620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.119620 (E_RNA) where: Base-Base interactions energy: -1370.029 where: short stacking energy: -588.842 Base-Backbone interact. energy: -0.855 local terms energy: -646.235872 where: bonds (distance) C4'-P energy: -140.508 bonds (distance) P-C4' energy: -151.896 flat angles C4'-P-C4' energy: -157.847 flat angles P-C4'-P energy: -91.649 tors. eta vs tors. theta energy: -104.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1478.963414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.963414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.963414 (E_RNA) where: Base-Base interactions energy: -905.429 where: short stacking energy: -426.788 Base-Backbone interact. energy: -2.909 local terms energy: -570.624744 where: bonds (distance) C4'-P energy: -145.420 bonds (distance) P-C4' energy: -167.379 flat angles C4'-P-C4' energy: -129.672 flat angles P-C4'-P energy: -90.144 tors. eta vs tors. theta energy: -38.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3414.984917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3414.984917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3414.984917 (E_RNA) where: Base-Base interactions energy: -2412.269 where: short stacking energy: -1013.530 Base-Backbone interact. energy: -5.973 local terms energy: -996.742285 where: bonds (distance) C4'-P energy: -177.198 bonds (distance) P-C4' energy: -172.386 flat angles C4'-P-C4' energy: -219.460 flat angles P-C4'-P energy: -150.398 tors. eta vs tors. theta energy: -277.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3351.682769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.682769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.682769 (E_RNA) where: Base-Base interactions energy: -2386.809 where: short stacking energy: -952.086 Base-Backbone interact. energy: -2.695 local terms energy: -962.179005 where: bonds (distance) C4'-P energy: -182.780 bonds (distance) P-C4' energy: -183.792 flat angles C4'-P-C4' energy: -208.722 flat angles P-C4'-P energy: -132.833 tors. eta vs tors. theta energy: -254.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -3204.700872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.700872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.700872 (E_RNA) where: Base-Base interactions energy: -2270.374 where: short stacking energy: -994.585 Base-Backbone interact. energy: -4.629 local terms energy: -929.698032 where: bonds (distance) C4'-P energy: -152.819 bonds (distance) P-C4' energy: -171.862 flat angles C4'-P-C4' energy: -211.273 flat angles P-C4'-P energy: -130.471 tors. eta vs tors. theta energy: -263.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -3091.850053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.850053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.850053 (E_RNA) where: Base-Base interactions energy: -2190.038 where: short stacking energy: -914.811 Base-Backbone interact. energy: -4.428 local terms energy: -897.384225 where: bonds (distance) C4'-P energy: -173.923 bonds (distance) P-C4' energy: -159.924 flat angles C4'-P-C4' energy: -190.296 flat angles P-C4'-P energy: -137.402 tors. eta vs tors. theta energy: -235.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2821.730606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.730606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.730606 (E_RNA) where: Base-Base interactions energy: -1987.685 where: short stacking energy: -820.940 Base-Backbone interact. energy: -5.033 local terms energy: -829.012893 where: bonds (distance) C4'-P energy: -156.956 bonds (distance) P-C4' energy: -168.028 flat angles C4'-P-C4' energy: -183.486 flat angles P-C4'-P energy: -99.413 tors. eta vs tors. theta energy: -221.129 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: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -2767.679943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.679943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.679943 (E_RNA) where: Base-Base interactions energy: -1965.195 where: short stacking energy: -771.890 Base-Backbone interact. energy: -4.322 local terms energy: -798.162516 where: bonds (distance) C4'-P energy: -154.923 bonds (distance) P-C4' energy: -184.135 flat angles C4'-P-C4' energy: -167.486 flat angles P-C4'-P energy: -98.863 tors. eta vs tors. theta energy: -192.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -2469.765287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.765287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.765287 (E_RNA) where: Base-Base interactions energy: -1679.934 where: short stacking energy: -730.233 Base-Backbone interact. energy: -2.243 local terms energy: -787.587816 where: bonds (distance) C4'-P energy: -154.207 bonds (distance) P-C4' energy: -151.417 flat angles C4'-P-C4' energy: -167.033 flat angles P-C4'-P energy: -129.897 tors. eta vs tors. theta energy: -185.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2298.944886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.944886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.944886 (E_RNA) where: Base-Base interactions energy: -1580.718 where: short stacking energy: -693.046 Base-Backbone interact. energy: -4.321 local terms energy: -713.906599 where: bonds (distance) C4'-P energy: -134.747 bonds (distance) P-C4' energy: -151.922 flat angles C4'-P-C4' energy: -161.767 flat angles P-C4'-P energy: -105.679 tors. eta vs tors. theta energy: -159.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -2008.223830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.223830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.223830 (E_RNA) where: Base-Base interactions energy: -1372.938 where: short stacking energy: -620.425 Base-Backbone interact. energy: -0.081 local terms energy: -635.204751 where: bonds (distance) C4'-P energy: -129.223 bonds (distance) P-C4' energy: -152.606 flat angles C4'-P-C4' energy: -157.577 flat angles P-C4'-P energy: -78.055 tors. eta vs tors. theta energy: -117.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1428.974030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.974030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.974030 (E_RNA) where: Base-Base interactions energy: -868.361 where: short stacking energy: -435.000 Base-Backbone interact. energy: -0.752 local terms energy: -559.860612 where: bonds (distance) C4'-P energy: -137.478 bonds (distance) P-C4' energy: -148.935 flat angles C4'-P-C4' energy: -143.095 flat angles P-C4'-P energy: -68.704 tors. eta vs tors. theta energy: -61.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3465.504695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3465.504695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3465.504695 (E_RNA) where: Base-Base interactions energy: -2450.901 where: short stacking energy: -1041.543 Base-Backbone interact. energy: -5.121 local terms energy: -1009.481921 where: bonds (distance) C4'-P energy: -190.005 bonds (distance) P-C4' energy: -177.324 flat angles C4'-P-C4' energy: -205.677 flat angles P-C4'-P energy: -142.487 tors. eta vs tors. theta energy: -293.989 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: 6 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3334.088623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3334.088623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3334.088623 (E_RNA) where: Base-Base interactions energy: -2398.100 where: short stacking energy: -943.351 Base-Backbone interact. energy: -3.199 local terms energy: -932.788955 where: bonds (distance) C4'-P energy: -176.504 bonds (distance) P-C4' energy: -165.547 flat angles C4'-P-C4' energy: -215.984 flat angles P-C4'-P energy: -133.935 tors. eta vs tors. theta energy: -240.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -3200.049075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.049075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.049075 (E_RNA) where: Base-Base interactions energy: -2227.531 where: short stacking energy: -973.163 Base-Backbone interact. energy: -2.666 local terms energy: -969.852001 where: bonds (distance) C4'-P energy: -188.599 bonds (distance) P-C4' energy: -166.842 flat angles C4'-P-C4' energy: -199.543 flat angles P-C4'-P energy: -141.915 tors. eta vs tors. theta energy: -272.953 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: 7 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -3028.765511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.765511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.765511 (E_RNA) where: Base-Base interactions energy: -2157.038 where: short stacking energy: -885.250 Base-Backbone interact. energy: -1.483 local terms energy: -870.243986 where: bonds (distance) C4'-P energy: -171.689 bonds (distance) P-C4' energy: -178.003 flat angles C4'-P-C4' energy: -188.909 flat angles P-C4'-P energy: -115.451 tors. eta vs tors. theta energy: -216.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2842.547807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.547807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.547807 (E_RNA) where: Base-Base interactions energy: -1987.950 where: short stacking energy: -823.320 Base-Backbone interact. energy: 0.773 local terms energy: -855.370357 where: bonds (distance) C4'-P energy: -159.953 bonds (distance) P-C4' energy: -163.234 flat angles C4'-P-C4' energy: -195.856 flat angles P-C4'-P energy: -116.834 tors. eta vs tors. theta energy: -219.493 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: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2733.840000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.840000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.840000 (E_RNA) where: Base-Base interactions energy: -1907.108 where: short stacking energy: -778.745 Base-Backbone interact. energy: -5.325 local terms energy: -821.406710 where: bonds (distance) C4'-P energy: -155.101 bonds (distance) P-C4' energy: -167.795 flat angles C4'-P-C4' energy: -185.920 flat angles P-C4'-P energy: -122.678 tors. eta vs tors. theta energy: -189.913 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: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2424.114427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.114427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.114427 (E_RNA) where: Base-Base interactions energy: -1698.673 where: short stacking energy: -753.726 Base-Backbone interact. energy: -0.499 local terms energy: -724.942871 where: bonds (distance) C4'-P energy: -136.279 bonds (distance) P-C4' energy: -140.842 flat angles C4'-P-C4' energy: -172.697 flat angles P-C4'-P energy: -101.903 tors. eta vs tors. theta energy: -173.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2314.734694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.734694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.734694 (E_RNA) where: Base-Base interactions energy: -1555.561 where: short stacking energy: -697.592 Base-Backbone interact. energy: -1.890 local terms energy: -757.283486 where: bonds (distance) C4'-P energy: -152.005 bonds (distance) P-C4' energy: -149.892 flat angles C4'-P-C4' energy: -189.516 flat angles P-C4'-P energy: -109.682 tors. eta vs tors. theta energy: -156.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -2003.656736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.656736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.656736 (E_RNA) where: Base-Base interactions energy: -1305.859 where: short stacking energy: -585.576 Base-Backbone interact. energy: 8.083 local terms energy: -705.880485 where: bonds (distance) C4'-P energy: -145.983 bonds (distance) P-C4' energy: -170.011 flat angles C4'-P-C4' energy: -155.968 flat angles P-C4'-P energy: -110.263 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: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1506.461407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.461407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.461407 (E_RNA) where: Base-Base interactions energy: -957.378 where: short stacking energy: -436.956 Base-Backbone interact. energy: -3.808 local terms energy: -545.274959 where: bonds (distance) C4'-P energy: -121.325 bonds (distance) P-C4' energy: -145.982 flat angles C4'-P-C4' energy: -126.896 flat angles P-C4'-P energy: -78.858 tors. eta vs tors. theta energy: -72.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3470.916871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.916871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.916871 (E_RNA) where: Base-Base interactions energy: -2471.389 where: short stacking energy: -1048.526 Base-Backbone interact. energy: -5.205 local terms energy: -994.322577 where: bonds (distance) C4'-P energy: -182.167 bonds (distance) P-C4' energy: -181.907 flat angles C4'-P-C4' energy: -196.243 flat angles P-C4'-P energy: -141.922 tors. eta vs tors. theta energy: -292.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3310.149187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.149187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.149187 (E_RNA) where: Base-Base interactions energy: -2355.348 where: short stacking energy: -936.915 Base-Backbone interact. energy: -4.848 local terms energy: -949.953660 where: bonds (distance) C4'-P energy: -186.287 bonds (distance) P-C4' energy: -168.917 flat angles C4'-P-C4' energy: -204.081 flat angles P-C4'-P energy: -143.612 tors. eta vs tors. theta energy: -247.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -3135.206503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.206503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.206503 (E_RNA) where: Base-Base interactions energy: -2212.083 where: short stacking energy: -951.215 Base-Backbone interact. energy: -2.123 local terms energy: -920.999900 where: bonds (distance) C4'-P energy: -170.173 bonds (distance) P-C4' energy: -179.916 flat angles C4'-P-C4' energy: -193.758 flat angles P-C4'-P energy: -124.069 tors. eta vs tors. theta energy: -253.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -3035.724823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.724823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.724823 (E_RNA) where: Base-Base interactions energy: -2164.224 where: short stacking energy: -936.783 Base-Backbone interact. energy: -1.383 local terms energy: -870.117955 where: bonds (distance) C4'-P energy: -138.757 bonds (distance) P-C4' energy: -168.237 flat angles C4'-P-C4' energy: -202.873 flat angles P-C4'-P energy: -130.038 tors. eta vs tors. theta energy: -230.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2869.911328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.911328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.911328 (E_RNA) where: Base-Base interactions energy: -2015.867 where: short stacking energy: -863.108 Base-Backbone interact. energy: -2.656 local terms energy: -851.388650 where: bonds (distance) C4'-P energy: -155.200 bonds (distance) P-C4' energy: -144.857 flat angles C4'-P-C4' energy: -198.543 flat angles P-C4'-P energy: -128.270 tors. eta vs tors. theta energy: -224.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2710.981800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.981800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.981800 (E_RNA) where: Base-Base interactions energy: -1911.080 where: short stacking energy: -806.472 Base-Backbone interact. energy: -0.708 local terms energy: -799.193804 where: bonds (distance) C4'-P energy: -158.076 bonds (distance) P-C4' energy: -153.186 flat angles C4'-P-C4' energy: -164.369 flat angles P-C4'-P energy: -115.250 tors. eta vs tors. theta energy: -208.313 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: 7, replica: 8 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2453.982555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2453.982555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2453.982555 (E_RNA) where: Base-Base interactions energy: -1676.784 where: short stacking energy: -747.231 Base-Backbone interact. energy: -2.551 local terms energy: -774.647331 where: bonds (distance) C4'-P energy: -151.580 bonds (distance) P-C4' energy: -161.311 flat angles C4'-P-C4' energy: -160.067 flat angles P-C4'-P energy: -104.046 tors. eta vs tors. theta energy: -197.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2334.121835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.121835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.121835 (E_RNA) where: Base-Base interactions energy: -1571.567 where: short stacking energy: -694.011 Base-Backbone interact. energy: -3.948 local terms energy: -758.606719 where: bonds (distance) C4'-P energy: -138.775 bonds (distance) P-C4' energy: -170.382 flat angles C4'-P-C4' energy: -166.336 flat angles P-C4'-P energy: -108.515 tors. eta vs tors. theta energy: -174.599 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: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1953.356860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.356860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.356860 (E_RNA) where: Base-Base interactions energy: -1306.494 where: short stacking energy: -561.615 Base-Backbone interact. energy: 3.493 local terms energy: -650.356007 where: bonds (distance) C4'-P energy: -159.023 bonds (distance) P-C4' energy: -153.975 flat angles C4'-P-C4' energy: -143.753 flat angles P-C4'-P energy: -100.577 tors. eta vs tors. theta energy: -93.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1492.616773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.616773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.616773 (E_RNA) where: Base-Base interactions energy: -956.486 where: short stacking energy: -434.368 Base-Backbone interact. energy: -4.029 local terms energy: -532.101494 where: bonds (distance) C4'-P energy: -125.437 bonds (distance) P-C4' energy: -152.866 flat angles C4'-P-C4' energy: -129.765 flat angles P-C4'-P energy: -68.352 tors. eta vs tors. theta energy: -55.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3458.816030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.816030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.816030 (E_RNA) where: Base-Base interactions energy: -2463.345 where: short stacking energy: -1068.369 Base-Backbone interact. energy: -0.159 local terms energy: -995.311873 where: bonds (distance) C4'-P energy: -186.979 bonds (distance) P-C4' energy: -182.131 flat angles C4'-P-C4' energy: -203.933 flat angles P-C4'-P energy: -130.726 tors. eta vs tors. theta energy: -291.543 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: 379 Temperature: 0.950000 Total energy: -3367.117189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3367.117189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3367.117189 (E_RNA) where: Base-Base interactions energy: -2392.161 where: short stacking energy: -966.441 Base-Backbone interact. energy: -1.167 local terms energy: -973.788704 where: bonds (distance) C4'-P energy: -186.943 bonds (distance) P-C4' energy: -184.245 flat angles C4'-P-C4' energy: -223.067 flat angles P-C4'-P energy: -127.784 tors. eta vs tors. theta energy: -251.749 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: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -3140.378991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.378991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.378991 (E_RNA) where: Base-Base interactions energy: -2200.806 where: short stacking energy: -959.434 Base-Backbone interact. energy: -4.441 local terms energy: -935.131457 where: bonds (distance) C4'-P energy: -166.310 bonds (distance) P-C4' energy: -161.459 flat angles C4'-P-C4' energy: -203.572 flat angles P-C4'-P energy: -133.609 tors. eta vs tors. theta energy: -270.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -3016.698817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.698817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.698817 (E_RNA) where: Base-Base interactions energy: -2135.416 where: short stacking energy: -872.246 Base-Backbone interact. energy: -5.776 local terms energy: -875.507042 where: bonds (distance) C4'-P energy: -162.150 bonds (distance) P-C4' energy: -170.407 flat angles C4'-P-C4' energy: -194.096 flat angles P-C4'-P energy: -125.166 tors. eta vs tors. theta energy: -223.688 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: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2822.247372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2822.247372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2822.247372 (E_RNA) where: Base-Base interactions energy: -1988.122 where: short stacking energy: -848.311 Base-Backbone interact. energy: -1.895 local terms energy: -832.231062 where: bonds (distance) C4'-P energy: -153.917 bonds (distance) P-C4' energy: -173.322 flat angles C4'-P-C4' energy: -196.537 flat angles P-C4'-P energy: -94.415 tors. eta vs tors. theta energy: -214.040 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: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2665.858478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.858478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.858478 (E_RNA) where: Base-Base interactions energy: -1870.933 where: short stacking energy: -776.177 Base-Backbone interact. energy: 4.208 local terms energy: -799.133769 where: bonds (distance) C4'-P energy: -189.160 bonds (distance) P-C4' energy: -142.137 flat angles C4'-P-C4' energy: -171.072 flat angles P-C4'-P energy: -105.302 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: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2528.104880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.104880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.104880 (E_RNA) where: Base-Base interactions energy: -1715.978 where: short stacking energy: -734.046 Base-Backbone interact. energy: -1.353 local terms energy: -810.773794 where: bonds (distance) C4'-P energy: -147.356 bonds (distance) P-C4' energy: -174.368 flat angles C4'-P-C4' energy: -179.684 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -198.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2313.155162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.155162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.155162 (E_RNA) where: Base-Base interactions energy: -1630.032 where: short stacking energy: -680.660 Base-Backbone interact. energy: 1.850 local terms energy: -684.973270 where: bonds (distance) C4'-P energy: -132.507 bonds (distance) P-C4' energy: -161.801 flat angles C4'-P-C4' energy: -159.310 flat angles P-C4'-P energy: -94.928 tors. eta vs tors. theta energy: -136.427 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: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1919.890893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1919.890893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1919.890893 (E_RNA) where: Base-Base interactions energy: -1299.297 where: short stacking energy: -562.596 Base-Backbone interact. energy: -3.735 local terms energy: -616.859252 where: bonds (distance) C4'-P energy: -131.356 bonds (distance) P-C4' energy: -140.124 flat angles C4'-P-C4' energy: -148.554 flat angles P-C4'-P energy: -92.681 tors. eta vs tors. theta energy: -104.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1508.051704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.051704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.051704 (E_RNA) where: Base-Base interactions energy: -919.531 where: short stacking energy: -414.268 Base-Backbone interact. energy: 5.207 local terms energy: -593.728634 where: bonds (distance) C4'-P energy: -144.405 bonds (distance) P-C4' energy: -135.383 flat angles C4'-P-C4' energy: -154.878 flat angles P-C4'-P energy: -80.403 tors. eta vs tors. theta energy: -78.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3435.327021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3435.327021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3435.327021 (E_RNA) where: Base-Base interactions energy: -2415.480 where: short stacking energy: -1007.869 Base-Backbone interact. energy: -3.519 local terms energy: -1016.328536 where: bonds (distance) C4'-P energy: -183.352 bonds (distance) P-C4' energy: -191.869 flat angles C4'-P-C4' energy: -209.388 flat angles P-C4'-P energy: -143.223 tors. eta vs tors. theta energy: -288.496 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: 2, replica: 6 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3357.304429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.304429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.304429 (E_RNA) where: Base-Base interactions energy: -2383.882 where: short stacking energy: -979.332 Base-Backbone interact. energy: -1.942 local terms energy: -971.480896 where: bonds (distance) C4'-P energy: -180.096 bonds (distance) P-C4' energy: -187.968 flat angles C4'-P-C4' energy: -205.750 flat angles P-C4'-P energy: -140.199 tors. eta vs tors. theta energy: -257.467 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: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -3136.181323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.181323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.181323 (E_RNA) where: Base-Base interactions energy: -2190.404 where: short stacking energy: -988.285 Base-Backbone interact. energy: -2.859 local terms energy: -942.917906 where: bonds (distance) C4'-P energy: -181.946 bonds (distance) P-C4' energy: -174.513 flat angles C4'-P-C4' energy: -198.866 flat angles P-C4'-P energy: -121.078 tors. eta vs tors. theta energy: -266.515 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -3019.592127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.592127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.592127 (E_RNA) where: Base-Base interactions energy: -2149.786 where: short stacking energy: -884.099 Base-Backbone interact. energy: 3.548 local terms energy: -873.354492 where: bonds (distance) C4'-P energy: -147.638 bonds (distance) P-C4' energy: -181.622 flat angles C4'-P-C4' energy: -191.745 flat angles P-C4'-P energy: -131.542 tors. eta vs tors. theta energy: -220.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2833.006701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.006701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.006701 (E_RNA) where: Base-Base interactions energy: -1976.090 where: short stacking energy: -863.676 Base-Backbone interact. energy: -4.379 local terms energy: -852.537466 where: bonds (distance) C4'-P energy: -156.254 bonds (distance) P-C4' energy: -175.027 flat angles C4'-P-C4' energy: -189.393 flat angles P-C4'-P energy: -111.804 tors. eta vs tors. theta energy: -220.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -2701.945995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.945995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.945995 (E_RNA) where: Base-Base interactions energy: -1885.873 where: short stacking energy: -770.288 Base-Backbone interact. energy: -2.608 local terms energy: -813.464667 where: bonds (distance) C4'-P energy: -158.116 bonds (distance) P-C4' energy: -162.191 flat angles C4'-P-C4' energy: -177.239 flat angles P-C4'-P energy: -112.050 tors. eta vs tors. theta energy: -203.868 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: 380 Temperature: 1.200000 Total energy: -2504.514452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.514452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.514452 (E_RNA) where: Base-Base interactions energy: -1756.032 where: short stacking energy: -767.918 Base-Backbone interact. energy: -2.009 local terms energy: -746.473248 where: bonds (distance) C4'-P energy: -150.441 bonds (distance) P-C4' energy: -145.039 flat angles C4'-P-C4' energy: -171.048 flat angles P-C4'-P energy: -103.068 tors. eta vs tors. theta energy: -176.878 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: 1 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2304.353426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.353426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.353426 (E_RNA) where: Base-Base interactions energy: -1574.415 where: short stacking energy: -679.209 Base-Backbone interact. energy: -4.194 local terms energy: -725.744083 where: bonds (distance) C4'-P energy: -163.010 bonds (distance) P-C4' energy: -153.994 flat angles C4'-P-C4' energy: -161.240 flat angles P-C4'-P energy: -85.115 tors. eta vs tors. theta energy: -162.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1884.730457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.730457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.730457 (E_RNA) where: Base-Base interactions energy: -1271.510 where: short stacking energy: -584.724 Base-Backbone interact. energy: -1.918 local terms energy: -611.302170 where: bonds (distance) C4'-P energy: -124.693 bonds (distance) P-C4' energy: -163.712 flat angles C4'-P-C4' energy: -129.260 flat angles P-C4'-P energy: -101.100 tors. eta vs tors. theta energy: -92.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1435.659452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.659452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.659452 (E_RNA) where: Base-Base interactions energy: -884.715 where: short stacking energy: -430.787 Base-Backbone interact. energy: 6.497 local terms energy: -557.441067 where: bonds (distance) C4'-P energy: -120.864 bonds (distance) P-C4' energy: -153.998 flat angles C4'-P-C4' energy: -141.731 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -58.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3481.140696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.140696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.140696 (E_RNA) where: Base-Base interactions energy: -2480.857 where: short stacking energy: -1043.394 Base-Backbone interact. energy: -7.400 local terms energy: -992.883825 where: bonds (distance) C4'-P energy: -166.646 bonds (distance) P-C4' energy: -197.031 flat angles C4'-P-C4' energy: -207.575 flat angles P-C4'-P energy: -125.741 tors. eta vs tors. theta energy: -295.890 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: 6 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3345.176153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.176153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.176153 (E_RNA) where: Base-Base interactions energy: -2399.816 where: short stacking energy: -953.232 Base-Backbone interact. energy: -5.101 local terms energy: -940.258562 where: bonds (distance) C4'-P energy: -177.448 bonds (distance) P-C4' energy: -165.298 flat angles C4'-P-C4' energy: -210.712 flat angles P-C4'-P energy: -133.812 tors. eta vs tors. theta energy: -252.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -3190.163235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.163235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.163235 (E_RNA) where: Base-Base interactions energy: -2190.096 where: short stacking energy: -939.546 Base-Backbone interact. energy: -3.338 local terms energy: -996.729520 where: bonds (distance) C4'-P energy: -178.066 bonds (distance) P-C4' energy: -189.816 flat angles C4'-P-C4' energy: -215.834 flat angles P-C4'-P energy: -148.125 tors. eta vs tors. theta energy: -264.889 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: 4, replica: 7 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -3025.896159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.896159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.896159 (E_RNA) where: Base-Base interactions energy: -2130.307 where: short stacking energy: -873.799 Base-Backbone interact. energy: 1.008 local terms energy: -896.597540 where: bonds (distance) C4'-P energy: -166.439 bonds (distance) P-C4' energy: -179.669 flat angles C4'-P-C4' energy: -194.462 flat angles P-C4'-P energy: -124.908 tors. eta vs tors. theta energy: -231.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2873.442946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.442946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.442946 (E_RNA) where: Base-Base interactions energy: -2006.920 where: short stacking energy: -839.160 Base-Backbone interact. energy: 0.864 local terms energy: -867.386990 where: bonds (distance) C4'-P energy: -168.374 bonds (distance) P-C4' energy: -163.154 flat angles C4'-P-C4' energy: -197.762 flat angles P-C4'-P energy: -130.203 tors. eta vs tors. theta energy: -207.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2654.865012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.865012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.865012 (E_RNA) where: Base-Base interactions energy: -1841.637 where: short stacking energy: -765.516 Base-Backbone interact. energy: 2.018 local terms energy: -815.245828 where: bonds (distance) C4'-P energy: -148.066 bonds (distance) P-C4' energy: -169.209 flat angles C4'-P-C4' energy: -178.306 flat angles P-C4'-P energy: -122.787 tors. eta vs tors. theta energy: -196.879 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: 8 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2472.463232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.463232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.463232 (E_RNA) where: Base-Base interactions energy: -1682.614 where: short stacking energy: -736.876 Base-Backbone interact. energy: 0.802 local terms energy: -790.651519 where: bonds (distance) C4'-P energy: -129.070 bonds (distance) P-C4' energy: -180.010 flat angles C4'-P-C4' energy: -171.677 flat angles P-C4'-P energy: -112.774 tors. eta vs tors. theta energy: -197.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2323.356769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.356769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.356769 (E_RNA) where: Base-Base interactions energy: -1595.542 where: short stacking energy: -702.419 Base-Backbone interact. energy: 1.669 local terms energy: -729.484323 where: bonds (distance) C4'-P energy: -151.056 bonds (distance) P-C4' energy: -161.869 flat angles C4'-P-C4' energy: -164.988 flat angles P-C4'-P energy: -92.184 tors. eta vs tors. theta energy: -159.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -2028.474400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.474400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.474400 (E_RNA) where: Base-Base interactions energy: -1364.527 where: short stacking energy: -597.297 Base-Backbone interact. energy: 2.541 local terms energy: -666.488147 where: bonds (distance) C4'-P energy: -140.659 bonds (distance) P-C4' energy: -136.068 flat angles C4'-P-C4' energy: -148.512 flat angles P-C4'-P energy: -108.706 tors. eta vs tors. theta energy: -132.543 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: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1524.532250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.532250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.532250 (E_RNA) where: Base-Base interactions energy: -970.289 where: short stacking energy: -450.609 Base-Backbone interact. energy: 2.470 local terms energy: -556.713070 where: bonds (distance) C4'-P energy: -131.804 bonds (distance) P-C4' energy: -139.389 flat angles C4'-P-C4' energy: -135.120 flat angles P-C4'-P energy: -89.113 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: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3484.740259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.740259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.740259 (E_RNA) where: Base-Base interactions energy: -2429.987 where: short stacking energy: -1060.648 Base-Backbone interact. energy: -6.647 local terms energy: -1048.106096 where: bonds (distance) C4'-P energy: -181.320 bonds (distance) P-C4' energy: -197.081 flat angles C4'-P-C4' energy: -211.485 flat angles P-C4'-P energy: -152.385 tors. eta vs tors. theta energy: -305.835 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: 6 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3314.340680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.340680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.340680 (E_RNA) where: Base-Base interactions energy: -2384.508 where: short stacking energy: -938.974 Base-Backbone interact. energy: 0.178 local terms energy: -930.010971 where: bonds (distance) C4'-P energy: -170.452 bonds (distance) P-C4' energy: -192.795 flat angles C4'-P-C4' energy: -198.206 flat angles P-C4'-P energy: -127.185 tors. eta vs tors. theta energy: -241.373 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: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -3166.189687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.189687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.189687 (E_RNA) where: Base-Base interactions energy: -2206.741 where: short stacking energy: -988.584 Base-Backbone interact. energy: -3.883 local terms energy: -955.565679 where: bonds (distance) C4'-P energy: -172.295 bonds (distance) P-C4' energy: -177.040 flat angles C4'-P-C4' energy: -206.535 flat angles P-C4'-P energy: -134.980 tors. eta vs tors. theta energy: -264.716 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: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -3013.286955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.286955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.286955 (E_RNA) where: Base-Base interactions energy: -2145.251 where: short stacking energy: -879.601 Base-Backbone interact. energy: -0.914 local terms energy: -867.121642 where: bonds (distance) C4'-P energy: -148.791 bonds (distance) P-C4' energy: -178.182 flat angles C4'-P-C4' energy: -188.990 flat angles P-C4'-P energy: -127.370 tors. eta vs tors. theta energy: -223.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2834.759078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.759078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.759078 (E_RNA) where: Base-Base interactions energy: -1985.712 where: short stacking energy: -867.345 Base-Backbone interact. energy: -2.024 local terms energy: -847.023589 where: bonds (distance) C4'-P energy: -147.267 bonds (distance) P-C4' energy: -177.127 flat angles C4'-P-C4' energy: -193.930 flat angles P-C4'-P energy: -122.770 tors. eta vs tors. theta energy: -205.930 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: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2674.254327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.254327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.254327 (E_RNA) where: Base-Base interactions energy: -1880.738 where: short stacking energy: -802.484 Base-Backbone interact. energy: -3.996 local terms energy: -789.521216 where: bonds (distance) C4'-P energy: -133.451 bonds (distance) P-C4' energy: -181.466 flat angles C4'-P-C4' energy: -175.192 flat angles P-C4'-P energy: -92.669 tors. eta vs tors. theta energy: -206.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -2578.782601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.782601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.782601 (E_RNA) where: Base-Base interactions energy: -1786.406 where: short stacking energy: -767.312 Base-Backbone interact. energy: -2.277 local terms energy: -790.100065 where: bonds (distance) C4'-P energy: -147.599 bonds (distance) P-C4' energy: -157.362 flat angles C4'-P-C4' energy: -177.255 flat angles P-C4'-P energy: -108.740 tors. eta vs tors. theta energy: -199.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2323.774606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2323.774606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2323.774606 (E_RNA) where: Base-Base interactions energy: -1550.921 where: short stacking energy: -672.803 Base-Backbone interact. energy: 3.911 local terms energy: -776.763760 where: bonds (distance) C4'-P energy: -167.476 bonds (distance) P-C4' energy: -156.001 flat angles C4'-P-C4' energy: -174.877 flat angles P-C4'-P energy: -101.839 tors. eta vs tors. theta energy: -176.571 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: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -2008.014803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.014803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.014803 (E_RNA) where: Base-Base interactions energy: -1371.782 where: short stacking energy: -590.137 Base-Backbone interact. energy: -0.073 local terms energy: -636.160032 where: bonds (distance) C4'-P energy: -153.168 bonds (distance) P-C4' energy: -129.762 flat angles C4'-P-C4' energy: -156.114 flat angles P-C4'-P energy: -73.740 tors. eta vs tors. theta energy: -123.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1508.147527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.147527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.147527 (E_RNA) where: Base-Base interactions energy: -915.515 where: short stacking energy: -429.870 Base-Backbone interact. energy: -3.897 local terms energy: -588.735901 where: bonds (distance) C4'-P energy: -151.911 bonds (distance) P-C4' energy: -165.812 flat angles C4'-P-C4' energy: -134.831 flat angles P-C4'-P energy: -92.163 tors. eta vs tors. theta energy: -44.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3481.692926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3481.692926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3481.692926 (E_RNA) where: Base-Base interactions energy: -2475.516 where: short stacking energy: -1047.095 Base-Backbone interact. energy: -2.885 local terms energy: -1003.291751 where: bonds (distance) C4'-P energy: -183.492 bonds (distance) P-C4' energy: -176.041 flat angles C4'-P-C4' energy: -211.657 flat angles P-C4'-P energy: -143.863 tors. eta vs tors. theta energy: -288.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -3310.375587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.375587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.375587 (E_RNA) where: Base-Base interactions energy: -2363.827 where: short stacking energy: -942.464 Base-Backbone interact. energy: -5.126 local terms energy: -941.422370 where: bonds (distance) C4'-P energy: -169.895 bonds (distance) P-C4' energy: -168.142 flat angles C4'-P-C4' energy: -209.817 flat angles P-C4'-P energy: -142.677 tors. eta vs tors. theta energy: -250.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -3157.765858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.765858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.765858 (E_RNA) where: Base-Base interactions energy: -2213.108 where: short stacking energy: -964.374 Base-Backbone interact. energy: -5.454 local terms energy: -939.204221 where: bonds (distance) C4'-P energy: -149.261 bonds (distance) P-C4' energy: -181.262 flat angles C4'-P-C4' energy: -206.929 flat angles P-C4'-P energy: -143.243 tors. eta vs tors. theta energy: -258.509 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: 7 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -3009.722966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.722966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.722966 (E_RNA) where: Base-Base interactions energy: -2120.264 where: short stacking energy: -891.073 Base-Backbone interact. energy: -6.617 local terms energy: -882.841976 where: bonds (distance) C4'-P energy: -158.252 bonds (distance) P-C4' energy: -170.149 flat angles C4'-P-C4' energy: -192.861 flat angles P-C4'-P energy: -134.397 tors. eta vs tors. theta energy: -227.183 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: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2849.748052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.748052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.748052 (E_RNA) where: Base-Base interactions energy: -2020.373 where: short stacking energy: -848.119 Base-Backbone interact. energy: -6.639 local terms energy: -822.736432 where: bonds (distance) C4'-P energy: -170.291 bonds (distance) P-C4' energy: -168.841 flat angles C4'-P-C4' energy: -175.733 flat angles P-C4'-P energy: -87.787 tors. eta vs tors. theta energy: -220.084 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: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2635.305152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.305152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.305152 (E_RNA) where: Base-Base interactions energy: -1805.957 where: short stacking energy: -775.269 Base-Backbone interact. energy: 0.107 local terms energy: -829.456003 where: bonds (distance) C4'-P energy: -169.240 bonds (distance) P-C4' energy: -158.215 flat angles C4'-P-C4' energy: -184.508 flat angles P-C4'-P energy: -122.613 tors. eta vs tors. theta energy: -194.879 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: 8 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2583.363200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.363200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.363200 (E_RNA) where: Base-Base interactions energy: -1791.290 where: short stacking energy: -783.617 Base-Backbone interact. energy: 2.771 local terms energy: -794.843605 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -152.096 flat angles C4'-P-C4' energy: -191.986 flat angles P-C4'-P energy: -116.585 tors. eta vs tors. theta energy: -180.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2387.240711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.240711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.240711 (E_RNA) where: Base-Base interactions energy: -1639.030 where: short stacking energy: -708.991 Base-Backbone interact. energy: 0.255 local terms energy: -748.465145 where: bonds (distance) C4'-P energy: -137.647 bonds (distance) P-C4' energy: -162.622 flat angles C4'-P-C4' energy: -174.947 flat angles P-C4'-P energy: -94.578 tors. eta vs tors. theta energy: -178.671 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: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1958.774236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.774236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.774236 (E_RNA) where: Base-Base interactions energy: -1326.475 where: short stacking energy: -563.872 Base-Backbone interact. energy: 0.613 local terms energy: -632.912825 where: bonds (distance) C4'-P energy: -149.057 bonds (distance) P-C4' energy: -147.043 flat angles C4'-P-C4' energy: -151.322 flat angles P-C4'-P energy: -66.599 tors. eta vs tors. theta energy: -118.892 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: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1478.261197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.261197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.261197 (E_RNA) where: Base-Base interactions energy: -931.623 where: short stacking energy: -442.864 Base-Backbone interact. energy: -2.900 local terms energy: -543.738024 where: bonds (distance) C4'-P energy: -130.606 bonds (distance) P-C4' energy: -139.382 flat angles C4'-P-C4' energy: -122.740 flat angles P-C4'-P energy: -77.733 tors. eta vs tors. theta energy: -73.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3484.701578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.701578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.701578 (E_RNA) where: Base-Base interactions energy: -2456.677 where: short stacking energy: -1060.474 Base-Backbone interact. energy: -7.026 local terms energy: -1020.998562 where: bonds (distance) C4'-P energy: -179.850 bonds (distance) P-C4' energy: -188.386 flat angles C4'-P-C4' energy: -215.729 flat angles P-C4'-P energy: -142.464 tors. eta vs tors. theta energy: -294.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3299.202193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.202193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.202193 (E_RNA) where: Base-Base interactions energy: -2348.766 where: short stacking energy: -950.414 Base-Backbone interact. energy: 2.234 local terms energy: -952.670762 where: bonds (distance) C4'-P energy: -194.646 bonds (distance) P-C4' energy: -160.135 flat angles C4'-P-C4' energy: -212.062 flat angles P-C4'-P energy: -146.154 tors. eta vs tors. theta energy: -239.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -3095.898767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3095.898767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3095.898767 (E_RNA) where: Base-Base interactions energy: -2191.948 where: short stacking energy: -908.125 Base-Backbone interact. energy: -1.162 local terms energy: -902.788757 where: bonds (distance) C4'-P energy: -170.787 bonds (distance) P-C4' energy: -172.900 flat angles C4'-P-C4' energy: -202.241 flat angles P-C4'-P energy: -120.204 tors. eta vs tors. theta energy: -236.656 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: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -3060.422619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.422619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.422619 (E_RNA) where: Base-Base interactions energy: -2105.263 where: short stacking energy: -909.536 Base-Backbone interact. energy: -3.866 local terms energy: -951.293757 where: bonds (distance) C4'-P energy: -173.271 bonds (distance) P-C4' energy: -174.265 flat angles C4'-P-C4' energy: -208.048 flat angles P-C4'-P energy: -145.648 tors. eta vs tors. theta energy: -250.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2890.838950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.838950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.838950 (E_RNA) where: Base-Base interactions energy: -2071.198 where: short stacking energy: -859.356 Base-Backbone interact. energy: 0.585 local terms energy: -820.226206 where: bonds (distance) C4'-P energy: -146.425 bonds (distance) P-C4' energy: -153.590 flat angles C4'-P-C4' energy: -190.808 flat angles P-C4'-P energy: -121.939 tors. eta vs tors. theta energy: -207.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2584.030963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.030963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.030963 (E_RNA) where: Base-Base interactions energy: -1803.076 where: short stacking energy: -748.495 Base-Backbone interact. energy: 0.639 local terms energy: -781.593608 where: bonds (distance) C4'-P energy: -133.619 bonds (distance) P-C4' energy: -152.489 flat angles C4'-P-C4' energy: -185.966 flat angles P-C4'-P energy: -118.171 tors. eta vs tors. theta energy: -191.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2553.072010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.072010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.072010 (E_RNA) where: Base-Base interactions energy: -1774.223 where: short stacking energy: -765.889 Base-Backbone interact. energy: -2.173 local terms energy: -776.675774 where: bonds (distance) C4'-P energy: -154.121 bonds (distance) P-C4' energy: -143.056 flat angles C4'-P-C4' energy: -195.911 flat angles P-C4'-P energy: -108.643 tors. eta vs tors. theta energy: -174.944 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: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2375.997151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.997151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.997151 (E_RNA) where: Base-Base interactions energy: -1694.711 where: short stacking energy: -707.448 Base-Backbone interact. energy: 1.939 local terms energy: -683.225910 where: bonds (distance) C4'-P energy: -123.954 bonds (distance) P-C4' energy: -133.450 flat angles C4'-P-C4' energy: -161.543 flat angles P-C4'-P energy: -97.038 tors. eta vs tors. theta energy: -167.242 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: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1886.457618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.457618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.457618 (E_RNA) where: Base-Base interactions energy: -1274.114 where: short stacking energy: -577.299 Base-Backbone interact. energy: -4.487 local terms energy: -607.856539 where: bonds (distance) C4'-P energy: -99.125 bonds (distance) P-C4' energy: -130.132 flat angles C4'-P-C4' energy: -162.016 flat angles P-C4'-P energy: -96.834 tors. eta vs tors. theta energy: -119.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1627.904329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.904329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.904329 (E_RNA) where: Base-Base interactions energy: -1050.769 where: short stacking energy: -483.445 Base-Backbone interact. energy: -0.761 local terms energy: -576.374694 where: bonds (distance) C4'-P energy: -141.969 bonds (distance) P-C4' energy: -139.270 flat angles C4'-P-C4' energy: -139.194 flat angles P-C4'-P energy: -83.196 tors. eta vs tors. theta energy: -72.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3474.905014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.905014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.905014 (E_RNA) where: Base-Base interactions energy: -2448.890 where: short stacking energy: -1042.651 Base-Backbone interact. energy: -1.315 local terms energy: -1024.699671 where: bonds (distance) C4'-P energy: -185.725 bonds (distance) P-C4' energy: -197.805 flat angles C4'-P-C4' energy: -210.977 flat angles P-C4'-P energy: -139.932 tors. eta vs tors. theta energy: -290.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3315.309218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.309218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.309218 (E_RNA) where: Base-Base interactions energy: -2390.060 where: short stacking energy: -946.440 Base-Backbone interact. energy: -3.655 local terms energy: -921.593764 where: bonds (distance) C4'-P energy: -173.494 bonds (distance) P-C4' energy: -181.835 flat angles C4'-P-C4' energy: -193.944 flat angles P-C4'-P energy: -126.438 tors. eta vs tors. theta energy: -245.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -3123.624748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.624748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.624748 (E_RNA) where: Base-Base interactions energy: -2196.353 where: short stacking energy: -930.078 Base-Backbone interact. energy: -6.067 local terms energy: -921.204707 where: bonds (distance) C4'-P energy: -161.086 bonds (distance) P-C4' energy: -164.017 flat angles C4'-P-C4' energy: -207.061 flat angles P-C4'-P energy: -146.560 tors. eta vs tors. theta energy: -242.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -3084.025867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.025867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.025867 (E_RNA) where: Base-Base interactions energy: -2137.804 where: short stacking energy: -928.164 Base-Backbone interact. energy: -1.734 local terms energy: -944.488136 where: bonds (distance) C4'-P energy: -169.909 bonds (distance) P-C4' energy: -166.136 flat angles C4'-P-C4' energy: -211.331 flat angles P-C4'-P energy: -138.932 tors. eta vs tors. theta energy: -258.181 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: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2943.771053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.771053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.771053 (E_RNA) where: Base-Base interactions energy: -2071.977 where: short stacking energy: -853.164 Base-Backbone interact. energy: 1.302 local terms energy: -873.096321 where: bonds (distance) C4'-P energy: -166.351 bonds (distance) P-C4' energy: -162.188 flat angles C4'-P-C4' energy: -209.795 flat angles P-C4'-P energy: -119.649 tors. eta vs tors. theta energy: -215.113 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: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2611.321367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.321367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.321367 (E_RNA) where: Base-Base interactions energy: -1832.815 where: short stacking energy: -775.982 Base-Backbone interact. energy: -1.157 local terms energy: -777.349227 where: bonds (distance) C4'-P energy: -154.469 bonds (distance) P-C4' energy: -160.317 flat angles C4'-P-C4' energy: -183.239 flat angles P-C4'-P energy: -80.295 tors. eta vs tors. theta energy: -199.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2495.158634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.158634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.158634 (E_RNA) where: Base-Base interactions energy: -1749.683 where: short stacking energy: -761.210 Base-Backbone interact. energy: 1.939 local terms energy: -747.415152 where: bonds (distance) C4'-P energy: -161.003 bonds (distance) P-C4' energy: -134.975 flat angles C4'-P-C4' energy: -181.200 flat angles P-C4'-P energy: -90.956 tors. eta vs tors. theta energy: -179.281 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: 385 Temperature: 1.250000 Total energy: -2352.222512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.222512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.222512 (E_RNA) where: Base-Base interactions energy: -1623.949 where: short stacking energy: -701.079 Base-Backbone interact. energy: -2.454 local terms energy: -725.818818 where: bonds (distance) C4'-P energy: -166.693 bonds (distance) P-C4' energy: -126.650 flat angles C4'-P-C4' energy: -161.412 flat angles P-C4'-P energy: -108.264 tors. eta vs tors. theta energy: -162.799 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: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1884.739779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.739779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.739779 (E_RNA) where: Base-Base interactions energy: -1258.620 where: short stacking energy: -543.383 Base-Backbone interact. energy: -4.030 local terms energy: -622.090229 where: bonds (distance) C4'-P energy: -142.601 bonds (distance) P-C4' energy: -133.020 flat angles C4'-P-C4' energy: -139.442 flat angles P-C4'-P energy: -101.650 tors. eta vs tors. theta energy: -105.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1589.480117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.480117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.480117 (E_RNA) where: Base-Base interactions energy: -1000.941 where: short stacking energy: -469.888 Base-Backbone interact. energy: -0.029 local terms energy: -588.510019 where: bonds (distance) C4'-P energy: -126.680 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -134.226 flat angles P-C4'-P energy: -119.551 tors. eta vs tors. theta energy: -57.322 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: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3487.471211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.471211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.471211 (E_RNA) where: Base-Base interactions energy: -2471.546 where: short stacking energy: -1050.324 Base-Backbone interact. energy: -5.190 local terms energy: -1010.735723 where: bonds (distance) C4'-P energy: -174.311 bonds (distance) P-C4' energy: -189.789 flat angles C4'-P-C4' energy: -209.005 flat angles P-C4'-P energy: -144.837 tors. eta vs tors. theta energy: -292.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3310.883568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.883568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.883568 (E_RNA) where: Base-Base interactions energy: -2355.677 where: short stacking energy: -966.532 Base-Backbone interact. energy: 4.091 local terms energy: -959.296968 where: bonds (distance) C4'-P energy: -182.980 bonds (distance) P-C4' energy: -170.064 flat angles C4'-P-C4' energy: -211.670 flat angles P-C4'-P energy: -128.988 tors. eta vs tors. theta energy: -265.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -3132.732872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.732872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.732872 (E_RNA) where: Base-Base interactions energy: -2192.813 where: short stacking energy: -957.952 Base-Backbone interact. energy: -3.184 local terms energy: -936.735917 where: bonds (distance) C4'-P energy: -157.299 bonds (distance) P-C4' energy: -179.255 flat angles C4'-P-C4' energy: -201.034 flat angles P-C4'-P energy: -149.676 tors. eta vs tors. theta energy: -249.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -3024.416576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.416576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.416576 (E_RNA) where: Base-Base interactions energy: -2184.842 where: short stacking energy: -918.020 Base-Backbone interact. energy: 1.095 local terms energy: -840.669764 where: bonds (distance) C4'-P energy: -145.182 bonds (distance) P-C4' energy: -154.801 flat angles C4'-P-C4' energy: -180.626 flat angles P-C4'-P energy: -123.884 tors. eta vs tors. theta energy: -236.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2920.565034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.565034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.565034 (E_RNA) where: Base-Base interactions energy: -2079.504 where: short stacking energy: -868.882 Base-Backbone interact. energy: 6.847 local terms energy: -847.907269 where: bonds (distance) C4'-P energy: -153.578 bonds (distance) P-C4' energy: -152.169 flat angles C4'-P-C4' energy: -182.926 flat angles P-C4'-P energy: -130.015 tors. eta vs tors. theta energy: -229.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2641.908472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.908472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.908472 (E_RNA) where: Base-Base interactions energy: -1820.123 where: short stacking energy: -775.189 Base-Backbone interact. energy: -0.438 local terms energy: -821.348243 where: bonds (distance) C4'-P energy: -171.370 bonds (distance) P-C4' energy: -153.614 flat angles C4'-P-C4' energy: -184.189 flat angles P-C4'-P energy: -128.902 tors. eta vs tors. theta energy: -183.274 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: 7, replica: 8 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2530.584448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.584448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.584448 (E_RNA) where: Base-Base interactions energy: -1808.012 where: short stacking energy: -753.587 Base-Backbone interact. energy: -3.391 local terms energy: -719.181992 where: bonds (distance) C4'-P energy: -132.041 bonds (distance) P-C4' energy: -136.920 flat angles C4'-P-C4' energy: -172.322 flat angles P-C4'-P energy: -86.083 tors. eta vs tors. theta energy: -191.817 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: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2298.943731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.943731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.943731 (E_RNA) where: Base-Base interactions energy: -1615.759 where: short stacking energy: -697.059 Base-Backbone interact. energy: 7.283 local terms energy: -690.468008 where: bonds (distance) C4'-P energy: -129.823 bonds (distance) P-C4' energy: -152.031 flat angles C4'-P-C4' energy: -150.644 flat angles P-C4'-P energy: -102.302 tors. eta vs tors. theta energy: -155.668 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: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1911.650278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1911.650278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1911.650278 (E_RNA) where: Base-Base interactions energy: -1253.796 where: short stacking energy: -564.509 Base-Backbone interact. energy: -1.008 local terms energy: -656.846385 where: bonds (distance) C4'-P energy: -143.321 bonds (distance) P-C4' energy: -146.665 flat angles C4'-P-C4' energy: -146.353 flat angles P-C4'-P energy: -94.201 tors. eta vs tors. theta energy: -126.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1493.634369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.634369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.634369 (E_RNA) where: Base-Base interactions energy: -951.401 where: short stacking energy: -425.490 Base-Backbone interact. energy: -4.795 local terms energy: -537.437634 where: bonds (distance) C4'-P energy: -110.603 bonds (distance) P-C4' energy: -134.013 flat angles C4'-P-C4' energy: -146.000 flat angles P-C4'-P energy: -71.592 tors. eta vs tors. theta energy: -75.229 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: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3438.626210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3438.626210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3438.626210 (E_RNA) where: Base-Base interactions energy: -2420.133 where: short stacking energy: -1036.711 Base-Backbone interact. energy: -3.827 local terms energy: -1014.666298 where: bonds (distance) C4'-P energy: -177.036 bonds (distance) P-C4' energy: -187.544 flat angles C4'-P-C4' energy: -210.077 flat angles P-C4'-P energy: -153.600 tors. eta vs tors. theta energy: -286.409 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: 387 Temperature: 0.950000 Total energy: -3317.810061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.810061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.810061 (E_RNA) where: Base-Base interactions energy: -2378.075 where: short stacking energy: -953.838 Base-Backbone interact. energy: -7.294 local terms energy: -932.441661 where: bonds (distance) C4'-P energy: -169.809 bonds (distance) P-C4' energy: -185.508 flat angles C4'-P-C4' energy: -201.290 flat angles P-C4'-P energy: -116.408 tors. eta vs tors. theta energy: -259.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -3147.069837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.069837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.069837 (E_RNA) where: Base-Base interactions energy: -2181.789 where: short stacking energy: -963.586 Base-Backbone interact. energy: -3.333 local terms energy: -961.947926 where: bonds (distance) C4'-P energy: -165.187 bonds (distance) P-C4' energy: -185.347 flat angles C4'-P-C4' energy: -197.834 flat angles P-C4'-P energy: -147.988 tors. eta vs tors. theta energy: -265.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -3001.737049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.737049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.737049 (E_RNA) where: Base-Base interactions energy: -2136.106 where: short stacking energy: -895.586 Base-Backbone interact. energy: -4.126 local terms energy: -861.504983 where: bonds (distance) C4'-P energy: -149.089 bonds (distance) P-C4' energy: -155.720 flat angles C4'-P-C4' energy: -196.367 flat angles P-C4'-P energy: -127.980 tors. eta vs tors. theta energy: -232.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2917.350800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.350800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.350800 (E_RNA) where: Base-Base interactions energy: -2057.465 where: short stacking energy: -850.265 Base-Backbone interact. energy: -1.346 local terms energy: -858.539809 where: bonds (distance) C4'-P energy: -153.394 bonds (distance) P-C4' energy: -170.077 flat angles C4'-P-C4' energy: -184.726 flat angles P-C4'-P energy: -121.700 tors. eta vs tors. theta energy: -228.643 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: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2690.398029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.398029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.398029 (E_RNA) where: Base-Base interactions energy: -1902.071 where: short stacking energy: -796.859 Base-Backbone interact. energy: -3.040 local terms energy: -785.286923 where: bonds (distance) C4'-P energy: -162.901 bonds (distance) P-C4' energy: -145.670 flat angles C4'-P-C4' energy: -178.819 flat angles P-C4'-P energy: -100.892 tors. eta vs tors. theta energy: -197.005 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: 8 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2565.213472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.213472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.213472 (E_RNA) where: Base-Base interactions energy: -1791.163 where: short stacking energy: -746.699 Base-Backbone interact. energy: 7.545 local terms energy: -781.595368 where: bonds (distance) C4'-P energy: -135.001 bonds (distance) P-C4' energy: -156.265 flat angles C4'-P-C4' energy: -177.895 flat angles P-C4'-P energy: -126.062 tors. eta vs tors. theta energy: -186.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2256.811635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.811635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.811635 (E_RNA) where: Base-Base interactions energy: -1527.207 where: short stacking energy: -665.816 Base-Backbone interact. energy: 1.941 local terms energy: -731.545638 where: bonds (distance) C4'-P energy: -142.692 bonds (distance) P-C4' energy: -155.251 flat angles C4'-P-C4' energy: -155.714 flat angles P-C4'-P energy: -109.708 tors. eta vs tors. theta energy: -168.180 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: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1868.501247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.501247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.501247 (E_RNA) where: Base-Base interactions energy: -1247.771 where: short stacking energy: -543.207 Base-Backbone interact. energy: -0.136 local terms energy: -620.594443 where: bonds (distance) C4'-P energy: -137.971 bonds (distance) P-C4' energy: -157.849 flat angles C4'-P-C4' energy: -146.938 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -96.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1457.179955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.179955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.179955 (E_RNA) where: Base-Base interactions energy: -932.581 where: short stacking energy: -436.945 Base-Backbone interact. energy: -0.149 local terms energy: -524.449770 where: bonds (distance) C4'-P energy: -140.801 bonds (distance) P-C4' energy: -135.416 flat angles C4'-P-C4' energy: -136.006 flat angles P-C4'-P energy: -63.729 tors. eta vs tors. theta energy: -48.496 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: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3479.666975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.666975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.666975 (E_RNA) where: Base-Base interactions energy: -2438.862 where: short stacking energy: -1040.240 Base-Backbone interact. energy: -1.665 local terms energy: -1039.139738 where: bonds (distance) C4'-P energy: -181.820 bonds (distance) P-C4' energy: -190.710 flat angles C4'-P-C4' energy: -227.402 flat angles P-C4'-P energy: -149.929 tors. eta vs tors. theta energy: -289.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3345.719018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.719018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.719018 (E_RNA) where: Base-Base interactions energy: -2407.727 where: short stacking energy: -963.647 Base-Backbone interact. energy: 0.255 local terms energy: -938.246764 where: bonds (distance) C4'-P energy: -167.016 bonds (distance) P-C4' energy: -184.080 flat angles C4'-P-C4' energy: -201.988 flat angles P-C4'-P energy: -126.937 tors. eta vs tors. theta energy: -258.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -3197.557374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.557374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.557374 (E_RNA) where: Base-Base interactions energy: -2236.696 where: short stacking energy: -951.784 Base-Backbone interact. energy: -1.769 local terms energy: -959.091962 where: bonds (distance) C4'-P energy: -152.190 bonds (distance) P-C4' energy: -178.444 flat angles C4'-P-C4' energy: -194.693 flat angles P-C4'-P energy: -169.394 tors. eta vs tors. theta energy: -264.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2999.725648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.725648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.725648 (E_RNA) where: Base-Base interactions energy: -2109.199 where: short stacking energy: -862.344 Base-Backbone interact. energy: -5.093 local terms energy: -885.433790 where: bonds (distance) C4'-P energy: -164.191 bonds (distance) P-C4' energy: -172.415 flat angles C4'-P-C4' energy: -195.446 flat angles P-C4'-P energy: -133.771 tors. eta vs tors. theta energy: -219.611 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: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2863.020884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.020884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.020884 (E_RNA) where: Base-Base interactions energy: -2009.335 where: short stacking energy: -833.175 Base-Backbone interact. energy: 2.037 local terms energy: -855.722879 where: bonds (distance) C4'-P energy: -181.114 bonds (distance) P-C4' energy: -144.590 flat angles C4'-P-C4' energy: -188.134 flat angles P-C4'-P energy: -123.581 tors. eta vs tors. theta energy: -218.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2652.016573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.016573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.016573 (E_RNA) where: Base-Base interactions energy: -1823.107 where: short stacking energy: -781.860 Base-Backbone interact. energy: -5.460 local terms energy: -823.449983 where: bonds (distance) C4'-P energy: -162.578 bonds (distance) P-C4' energy: -162.470 flat angles C4'-P-C4' energy: -186.576 flat angles P-C4'-P energy: -121.020 tors. eta vs tors. theta energy: -190.806 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: 7, replica: 8 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2508.480316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.480316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.480316 (E_RNA) where: Base-Base interactions energy: -1766.623 where: short stacking energy: -722.181 Base-Backbone interact. energy: -1.924 local terms energy: -739.933114 where: bonds (distance) C4'-P energy: -120.121 bonds (distance) P-C4' energy: -161.807 flat angles C4'-P-C4' energy: -185.082 flat angles P-C4'-P energy: -98.600 tors. eta vs tors. theta energy: -174.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2304.510241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.510241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.510241 (E_RNA) where: Base-Base interactions energy: -1568.582 where: short stacking energy: -673.512 Base-Backbone interact. energy: 0.483 local terms energy: -736.411178 where: bonds (distance) C4'-P energy: -136.255 bonds (distance) P-C4' energy: -141.048 flat angles C4'-P-C4' energy: -172.332 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -174.088 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: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1943.433514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.433514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.433514 (E_RNA) where: Base-Base interactions energy: -1274.030 where: short stacking energy: -597.847 Base-Backbone interact. energy: -0.055 local terms energy: -669.347958 where: bonds (distance) C4'-P energy: -132.145 bonds (distance) P-C4' energy: -154.198 flat angles C4'-P-C4' energy: -157.214 flat angles P-C4'-P energy: -83.469 tors. eta vs tors. theta energy: -142.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1540.148877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.148877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.148877 (E_RNA) where: Base-Base interactions energy: -958.140 where: short stacking energy: -437.421 Base-Backbone interact. energy: -3.095 local terms energy: -578.913750 where: bonds (distance) C4'-P energy: -172.963 bonds (distance) P-C4' energy: -152.297 flat angles C4'-P-C4' energy: -139.987 flat angles P-C4'-P energy: -65.627 tors. eta vs tors. theta energy: -48.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3483.729220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.729220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.729220 (E_RNA) where: Base-Base interactions energy: -2447.583 where: short stacking energy: -1049.678 Base-Backbone interact. energy: -7.781 local terms energy: -1028.364821 where: bonds (distance) C4'-P energy: -179.378 bonds (distance) P-C4' energy: -182.838 flat angles C4'-P-C4' energy: -229.751 flat angles P-C4'-P energy: -137.432 tors. eta vs tors. theta energy: -298.966 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: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3321.799923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.799923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.799923 (E_RNA) where: Base-Base interactions energy: -2357.997 where: short stacking energy: -959.521 Base-Backbone interact. energy: -1.615 local terms energy: -962.188668 where: bonds (distance) C4'-P energy: -180.797 bonds (distance) P-C4' energy: -178.805 flat angles C4'-P-C4' energy: -204.565 flat angles P-C4'-P energy: -136.709 tors. eta vs tors. theta energy: -261.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -3221.368043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.368043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.368043 (E_RNA) where: Base-Base interactions energy: -2251.313 where: short stacking energy: -958.734 Base-Backbone interact. energy: -3.955 local terms energy: -966.100179 where: bonds (distance) C4'-P energy: -183.115 bonds (distance) P-C4' energy: -176.427 flat angles C4'-P-C4' energy: -210.530 flat angles P-C4'-P energy: -134.509 tors. eta vs tors. theta energy: -261.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -3001.592004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.592004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.592004 (E_RNA) where: Base-Base interactions energy: -2167.196 where: short stacking energy: -895.337 Base-Backbone interact. energy: -2.229 local terms energy: -832.167402 where: bonds (distance) C4'-P energy: -137.255 bonds (distance) P-C4' energy: -169.672 flat angles C4'-P-C4' energy: -179.584 flat angles P-C4'-P energy: -121.886 tors. eta vs tors. theta energy: -223.770 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: 4 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2978.445160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.445160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.445160 (E_RNA) where: Base-Base interactions energy: -2127.064 where: short stacking energy: -868.465 Base-Backbone interact. energy: -0.429 local terms energy: -850.952431 where: bonds (distance) C4'-P energy: -154.371 bonds (distance) P-C4' energy: -166.892 flat angles C4'-P-C4' energy: -181.984 flat angles P-C4'-P energy: -127.982 tors. eta vs tors. theta energy: -219.723 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: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2766.356690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.356690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.356690 (E_RNA) where: Base-Base interactions energy: -1931.421 where: short stacking energy: -836.809 Base-Backbone interact. energy: 1.046 local terms energy: -835.981743 where: bonds (distance) C4'-P energy: -171.398 bonds (distance) P-C4' energy: -145.820 flat angles C4'-P-C4' energy: -195.885 flat angles P-C4'-P energy: -115.033 tors. eta vs tors. theta energy: -207.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2523.910465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.910465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.910465 (E_RNA) where: Base-Base interactions energy: -1771.065 where: short stacking energy: -733.450 Base-Backbone interact. energy: -2.001 local terms energy: -750.844470 where: bonds (distance) C4'-P energy: -147.454 bonds (distance) P-C4' energy: -142.056 flat angles C4'-P-C4' energy: -169.197 flat angles P-C4'-P energy: -108.017 tors. eta vs tors. theta energy: -184.121 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: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -2317.509512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.509512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.509512 (E_RNA) where: Base-Base interactions energy: -1581.031 where: short stacking energy: -685.579 Base-Backbone interact. energy: -1.895 local terms energy: -734.583352 where: bonds (distance) C4'-P energy: -142.710 bonds (distance) P-C4' energy: -161.045 flat angles C4'-P-C4' energy: -174.756 flat angles P-C4'-P energy: -88.164 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: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1950.103057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.103057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.103057 (E_RNA) where: Base-Base interactions energy: -1264.160 where: short stacking energy: -578.349 Base-Backbone interact. energy: 0.047 local terms energy: -685.989920 where: bonds (distance) C4'-P energy: -153.737 bonds (distance) P-C4' energy: -163.069 flat angles C4'-P-C4' energy: -164.468 flat angles P-C4'-P energy: -93.796 tors. eta vs tors. theta energy: -110.921 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: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1487.052447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.052447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.052447 (E_RNA) where: Base-Base interactions energy: -940.479 where: short stacking energy: -458.373 Base-Backbone interact. energy: -0.851 local terms energy: -545.722306 where: bonds (distance) C4'-P energy: -130.105 bonds (distance) P-C4' energy: -140.760 flat angles C4'-P-C4' energy: -147.184 flat angles P-C4'-P energy: -70.905 tors. eta vs tors. theta energy: -56.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3501.441768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3501.441768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3501.441768 (E_RNA) where: Base-Base interactions energy: -2462.575 where: short stacking energy: -1048.862 Base-Backbone interact. energy: -1.861 local terms energy: -1037.005525 where: bonds (distance) C4'-P energy: -188.271 bonds (distance) P-C4' energy: -193.668 flat angles C4'-P-C4' energy: -220.488 flat angles P-C4'-P energy: -142.133 tors. eta vs tors. theta energy: -292.445 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: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3312.685438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.685438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.685438 (E_RNA) where: Base-Base interactions energy: -2338.788 where: short stacking energy: -956.434 Base-Backbone interact. energy: -2.663 local terms energy: -971.234885 where: bonds (distance) C4'-P energy: -164.688 bonds (distance) P-C4' energy: -181.814 flat angles C4'-P-C4' energy: -221.370 flat angles P-C4'-P energy: -140.554 tors. eta vs tors. theta energy: -262.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -3194.390727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.390727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.390727 (E_RNA) where: Base-Base interactions energy: -2244.152 where: short stacking energy: -966.197 Base-Backbone interact. energy: -4.907 local terms energy: -945.331681 where: bonds (distance) C4'-P energy: -176.712 bonds (distance) P-C4' energy: -179.920 flat angles C4'-P-C4' energy: -213.511 flat angles P-C4'-P energy: -112.012 tors. eta vs tors. theta energy: -263.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2981.135097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.135097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.135097 (E_RNA) where: Base-Base interactions energy: -2116.671 where: short stacking energy: -869.049 Base-Backbone interact. energy: -5.432 local terms energy: -859.032260 where: bonds (distance) C4'-P energy: -185.884 bonds (distance) P-C4' energy: -155.806 flat angles C4'-P-C4' energy: -177.604 flat angles P-C4'-P energy: -116.577 tors. eta vs tors. theta energy: -223.161 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: 4 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2977.460767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.460767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.460767 (E_RNA) where: Base-Base interactions energy: -2110.817 where: short stacking energy: -866.458 Base-Backbone interact. energy: 1.178 local terms energy: -867.822040 where: bonds (distance) C4'-P energy: -156.865 bonds (distance) P-C4' energy: -167.906 flat angles C4'-P-C4' energy: -192.075 flat angles P-C4'-P energy: -120.574 tors. eta vs tors. theta energy: -230.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2714.009153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.009153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.009153 (E_RNA) where: Base-Base interactions energy: -1870.556 where: short stacking energy: -782.515 Base-Backbone interact. energy: -4.708 local terms energy: -838.745642 where: bonds (distance) C4'-P energy: -169.059 bonds (distance) P-C4' energy: -177.965 flat angles C4'-P-C4' energy: -171.252 flat angles P-C4'-P energy: -121.376 tors. eta vs tors. theta energy: -199.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2442.470589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.470589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.470589 (E_RNA) where: Base-Base interactions energy: -1681.880 where: short stacking energy: -733.242 Base-Backbone interact. energy: -0.108 local terms energy: -760.481942 where: bonds (distance) C4'-P energy: -143.611 bonds (distance) P-C4' energy: -154.604 flat angles C4'-P-C4' energy: -188.540 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -162.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2413.779591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.779591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.779591 (E_RNA) where: Base-Base interactions energy: -1655.646 where: short stacking energy: -725.525 Base-Backbone interact. energy: -2.290 local terms energy: -755.843331 where: bonds (distance) C4'-P energy: -139.691 bonds (distance) P-C4' energy: -160.813 flat angles C4'-P-C4' energy: -154.764 flat angles P-C4'-P energy: -115.527 tors. eta vs tors. theta energy: -185.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1973.950617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.950617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.950617 (E_RNA) where: Base-Base interactions energy: -1349.249 where: short stacking energy: -585.551 Base-Backbone interact. energy: -4.356 local terms energy: -620.345223 where: bonds (distance) C4'-P energy: -138.733 bonds (distance) P-C4' energy: -134.581 flat angles C4'-P-C4' energy: -152.640 flat angles P-C4'-P energy: -107.222 tors. eta vs tors. theta energy: -87.168 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: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1532.551732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.551732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.551732 (E_RNA) where: Base-Base interactions energy: -950.976 where: short stacking energy: -453.150 Base-Backbone interact. energy: 9.402 local terms energy: -590.977822 where: bonds (distance) C4'-P energy: -140.477 bonds (distance) P-C4' energy: -160.620 flat angles C4'-P-C4' energy: -134.469 flat angles P-C4'-P energy: -98.523 tors. eta vs tors. theta energy: -56.889 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: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3499.813231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3499.813231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3499.813231 (E_RNA) where: Base-Base interactions energy: -2492.298 where: short stacking energy: -1033.299 Base-Backbone interact. energy: -4.122 local terms energy: -1003.392932 where: bonds (distance) C4'-P energy: -169.074 bonds (distance) P-C4' energy: -193.280 flat angles C4'-P-C4' energy: -210.627 flat angles P-C4'-P energy: -134.056 tors. eta vs tors. theta energy: -296.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -3305.902489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.902489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.902489 (E_RNA) where: Base-Base interactions energy: -2344.650 where: short stacking energy: -965.924 Base-Backbone interact. energy: -7.707 local terms energy: -953.544694 where: bonds (distance) C4'-P energy: -172.564 bonds (distance) P-C4' energy: -180.475 flat angles C4'-P-C4' energy: -210.585 flat angles P-C4'-P energy: -130.023 tors. eta vs tors. theta energy: -259.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -3205.107106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.107106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.107106 (E_RNA) where: Base-Base interactions energy: -2221.710 where: short stacking energy: -960.880 Base-Backbone interact. energy: -4.276 local terms energy: -979.120671 where: bonds (distance) C4'-P energy: -177.980 bonds (distance) P-C4' energy: -181.791 flat angles C4'-P-C4' energy: -204.480 flat angles P-C4'-P energy: -142.596 tors. eta vs tors. theta energy: -272.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -3011.523903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3011.523903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3011.523903 (E_RNA) where: Base-Base interactions energy: -2164.047 where: short stacking energy: -885.440 Base-Backbone interact. energy: -2.567 local terms energy: -844.909907 where: bonds (distance) C4'-P energy: -167.551 bonds (distance) P-C4' energy: -163.626 flat angles C4'-P-C4' energy: -184.757 flat angles P-C4'-P energy: -122.841 tors. eta vs tors. theta energy: -206.134 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: 4 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2904.596940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.596940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.596940 (E_RNA) where: Base-Base interactions energy: -2022.734 where: short stacking energy: -846.809 Base-Backbone interact. energy: -3.488 local terms energy: -878.375265 where: bonds (distance) C4'-P energy: -171.058 bonds (distance) P-C4' energy: -157.771 flat angles C4'-P-C4' energy: -201.982 flat angles P-C4'-P energy: -124.304 tors. eta vs tors. theta energy: -223.260 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: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2643.352493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.352493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.352493 (E_RNA) where: Base-Base interactions energy: -1818.307 where: short stacking energy: -766.875 Base-Backbone interact. energy: 2.852 local terms energy: -827.897292 where: bonds (distance) C4'-P energy: -161.857 bonds (distance) P-C4' energy: -138.339 flat angles C4'-P-C4' energy: -197.145 flat angles P-C4'-P energy: -119.348 tors. eta vs tors. theta energy: -211.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2469.905994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.905994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.905994 (E_RNA) where: Base-Base interactions energy: -1752.037 where: short stacking energy: -761.683 Base-Backbone interact. energy: 1.401 local terms energy: -719.270080 where: bonds (distance) C4'-P energy: -118.430 bonds (distance) P-C4' energy: -128.681 flat angles C4'-P-C4' energy: -168.243 flat angles P-C4'-P energy: -110.624 tors. eta vs tors. theta energy: -193.293 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: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2328.707175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.707175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.707175 (E_RNA) where: Base-Base interactions energy: -1586.317 where: short stacking energy: -721.872 Base-Backbone interact. energy: -1.210 local terms energy: -741.179330 where: bonds (distance) C4'-P energy: -154.074 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -165.602 flat angles P-C4'-P energy: -107.243 tors. eta vs tors. theta energy: -167.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1986.594717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.594717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.594717 (E_RNA) where: Base-Base interactions energy: -1303.698 where: short stacking energy: -593.582 Base-Backbone interact. energy: -1.330 local terms energy: -681.566240 where: bonds (distance) C4'-P energy: -152.502 bonds (distance) P-C4' energy: -166.274 flat angles C4'-P-C4' energy: -152.640 flat angles P-C4'-P energy: -77.708 tors. eta vs tors. theta energy: -132.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1456.264414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.264414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.264414 (E_RNA) where: Base-Base interactions energy: -870.507 where: short stacking energy: -413.407 Base-Backbone interact. energy: -3.028 local terms energy: -582.728847 where: bonds (distance) C4'-P energy: -151.993 bonds (distance) P-C4' energy: -127.408 flat angles C4'-P-C4' energy: -151.490 flat angles P-C4'-P energy: -94.644 tors. eta vs tors. theta energy: -57.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -3478.235255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3478.235255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3478.235255 (E_RNA) where: Base-Base interactions energy: -2462.938 where: short stacking energy: -1044.204 Base-Backbone interact. energy: -6.178 local terms energy: -1009.118780 where: bonds (distance) C4'-P energy: -190.335 bonds (distance) P-C4' energy: -178.318 flat angles C4'-P-C4' energy: -217.133 flat angles P-C4'-P energy: -131.779 tors. eta vs tors. theta energy: -291.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3282.634309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.634309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.634309 (E_RNA) where: Base-Base interactions energy: -2353.490 where: short stacking energy: -938.695 Base-Backbone interact. energy: -3.842 local terms energy: -925.302699 where: bonds (distance) C4'-P energy: -159.951 bonds (distance) P-C4' energy: -172.118 flat angles C4'-P-C4' energy: -209.173 flat angles P-C4'-P energy: -134.554 tors. eta vs tors. theta energy: -249.506 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: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -3160.992798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.992798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.992798 (E_RNA) where: Base-Base interactions energy: -2193.894 where: short stacking energy: -948.107 Base-Backbone interact. energy: -4.811 local terms energy: -962.287750 where: bonds (distance) C4'-P energy: -168.424 bonds (distance) P-C4' energy: -190.611 flat angles C4'-P-C4' energy: -204.383 flat angles P-C4'-P energy: -130.120 tors. eta vs tors. theta energy: -268.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -3042.312929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.312929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.312929 (E_RNA) where: Base-Base interactions energy: -2170.990 where: short stacking energy: -872.819 Base-Backbone interact. energy: -0.068 local terms energy: -871.254864 where: bonds (distance) C4'-P energy: -163.096 bonds (distance) P-C4' energy: -185.137 flat angles C4'-P-C4' energy: -175.489 flat angles P-C4'-P energy: -116.403 tors. eta vs tors. theta energy: -231.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2898.950512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.950512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.950512 (E_RNA) where: Base-Base interactions energy: -2044.802 where: short stacking energy: -846.698 Base-Backbone interact. energy: -3.631 local terms energy: -850.517818 where: bonds (distance) C4'-P energy: -169.717 bonds (distance) P-C4' energy: -162.596 flat angles C4'-P-C4' energy: -182.572 flat angles P-C4'-P energy: -121.070 tors. eta vs tors. theta energy: -214.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2637.349396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.349396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.349396 (E_RNA) where: Base-Base interactions energy: -1845.371 where: short stacking energy: -741.239 Base-Backbone interact. energy: 0.488 local terms energy: -792.466758 where: bonds (distance) C4'-P energy: -167.770 bonds (distance) P-C4' energy: -157.515 flat angles C4'-P-C4' energy: -175.687 flat angles P-C4'-P energy: -104.099 tors. eta vs tors. theta energy: -187.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2501.461947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.461947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.461947 (E_RNA) where: Base-Base interactions energy: -1704.248 where: short stacking energy: -739.780 Base-Backbone interact. energy: 6.708 local terms energy: -803.921766 where: bonds (distance) C4'-P energy: -162.165 bonds (distance) P-C4' energy: -160.317 flat angles C4'-P-C4' energy: -176.648 flat angles P-C4'-P energy: -119.011 tors. eta vs tors. theta energy: -185.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -2267.475726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.475726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.475726 (E_RNA) where: Base-Base interactions energy: -1542.870 where: short stacking energy: -663.107 Base-Backbone interact. energy: 2.685 local terms energy: -727.290380 where: bonds (distance) C4'-P energy: -151.146 bonds (distance) P-C4' energy: -150.605 flat angles C4'-P-C4' energy: -172.386 flat angles P-C4'-P energy: -103.767 tors. eta vs tors. theta energy: -149.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1898.640584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.640584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.640584 (E_RNA) where: Base-Base interactions energy: -1274.692 where: short stacking energy: -570.932 Base-Backbone interact. energy: 2.341 local terms energy: -626.289142 where: bonds (distance) C4'-P energy: -151.361 bonds (distance) P-C4' energy: -123.334 flat angles C4'-P-C4' energy: -146.216 flat angles P-C4'-P energy: -90.337 tors. eta vs tors. theta energy: -115.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1535.218818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.218818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.218818 (E_RNA) where: Base-Base interactions energy: -986.740 where: short stacking energy: -479.332 Base-Backbone interact. energy: 6.130 local terms energy: -554.609199 where: bonds (distance) C4'-P energy: -125.268 bonds (distance) P-C4' energy: -151.921 flat angles C4'-P-C4' energy: -146.890 flat angles P-C4'-P energy: -62.640 tors. eta vs tors. theta energy: -67.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3473.929743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.929743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.929743 (E_RNA) where: Base-Base interactions energy: -2431.510 where: short stacking energy: -1030.480 Base-Backbone interact. energy: -4.474 local terms energy: -1037.946262 where: bonds (distance) C4'-P energy: -187.367 bonds (distance) P-C4' energy: -199.228 flat angles C4'-P-C4' energy: -218.731 flat angles P-C4'-P energy: -141.845 tors. eta vs tors. theta energy: -290.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3284.294977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.294977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.294977 (E_RNA) where: Base-Base interactions energy: -2323.568 where: short stacking energy: -943.993 Base-Backbone interact. energy: -2.090 local terms energy: -958.637161 where: bonds (distance) C4'-P energy: -181.131 bonds (distance) P-C4' energy: -193.867 flat angles C4'-P-C4' energy: -190.794 flat angles P-C4'-P energy: -135.424 tors. eta vs tors. theta energy: -257.421 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: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -3160.255407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.255407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.255407 (E_RNA) where: Base-Base interactions energy: -2197.592 where: short stacking energy: -954.092 Base-Backbone interact. energy: -3.069 local terms energy: -959.594752 where: bonds (distance) C4'-P energy: -181.579 bonds (distance) P-C4' energy: -173.213 flat angles C4'-P-C4' energy: -204.860 flat angles P-C4'-P energy: -136.840 tors. eta vs tors. theta energy: -263.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -3038.801572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.801572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.801572 (E_RNA) where: Base-Base interactions energy: -2133.775 where: short stacking energy: -916.019 Base-Backbone interact. energy: -3.273 local terms energy: -901.753216 where: bonds (distance) C4'-P energy: -172.327 bonds (distance) P-C4' energy: -153.302 flat angles C4'-P-C4' energy: -191.398 flat angles P-C4'-P energy: -138.519 tors. eta vs tors. theta energy: -246.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2918.213516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.213516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.213516 (E_RNA) where: Base-Base interactions energy: -2031.079 where: short stacking energy: -853.031 Base-Backbone interact. energy: -4.130 local terms energy: -883.004614 where: bonds (distance) C4'-P energy: -170.678 bonds (distance) P-C4' energy: -161.629 flat angles C4'-P-C4' energy: -201.624 flat angles P-C4'-P energy: -118.530 tors. eta vs tors. theta energy: -230.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2660.421850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.421850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.421850 (E_RNA) where: Base-Base interactions energy: -1899.941 where: short stacking energy: -817.979 Base-Backbone interact. energy: -5.469 local terms energy: -755.012435 where: bonds (distance) C4'-P energy: -133.744 bonds (distance) P-C4' energy: -134.867 flat angles C4'-P-C4' energy: -181.068 flat angles P-C4'-P energy: -110.163 tors. eta vs tors. theta energy: -195.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2479.982012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.982012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.982012 (E_RNA) where: Base-Base interactions energy: -1722.682 where: short stacking energy: -719.011 Base-Backbone interact. energy: 2.276 local terms energy: -759.576528 where: bonds (distance) C4'-P energy: -140.867 bonds (distance) P-C4' energy: -138.038 flat angles C4'-P-C4' energy: -181.881 flat angles P-C4'-P energy: -115.602 tors. eta vs tors. theta energy: -183.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -2305.871866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.871866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.871866 (E_RNA) where: Base-Base interactions energy: -1538.563 where: short stacking energy: -669.627 Base-Backbone interact. energy: -0.852 local terms energy: -766.457343 where: bonds (distance) C4'-P energy: -155.493 bonds (distance) P-C4' energy: -178.967 flat angles C4'-P-C4' energy: -164.508 flat angles P-C4'-P energy: -100.431 tors. eta vs tors. theta energy: -167.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1873.292691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.292691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.292691 (E_RNA) where: Base-Base interactions energy: -1237.536 where: short stacking energy: -565.465 Base-Backbone interact. energy: -4.233 local terms energy: -631.524148 where: bonds (distance) C4'-P energy: -146.352 bonds (distance) P-C4' energy: -153.740 flat angles C4'-P-C4' energy: -139.454 flat angles P-C4'-P energy: -82.175 tors. eta vs tors. theta energy: -109.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1570.380801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.380801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.380801 (E_RNA) where: Base-Base interactions energy: -977.909 where: short stacking energy: -462.808 Base-Backbone interact. energy: -0.504 local terms energy: -591.967910 where: bonds (distance) C4'-P energy: -135.059 bonds (distance) P-C4' energy: -158.033 flat angles C4'-P-C4' energy: -154.315 flat angles P-C4'-P energy: -94.330 tors. eta vs tors. theta energy: -50.231 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: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3497.044798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3497.044798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3497.044798 (E_RNA) where: Base-Base interactions energy: -2462.638 where: short stacking energy: -1042.191 Base-Backbone interact. energy: -4.759 local terms energy: -1029.647102 where: bonds (distance) C4'-P energy: -189.102 bonds (distance) P-C4' energy: -167.388 flat angles C4'-P-C4' energy: -227.883 flat angles P-C4'-P energy: -146.718 tors. eta vs tors. theta energy: -298.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3315.041356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.041356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.041356 (E_RNA) where: Base-Base interactions energy: -2371.691 where: short stacking energy: -955.735 Base-Backbone interact. energy: -1.802 local terms energy: -941.547709 where: bonds (distance) C4'-P energy: -184.128 bonds (distance) P-C4' energy: -177.814 flat angles C4'-P-C4' energy: -204.751 flat angles P-C4'-P energy: -124.249 tors. eta vs tors. theta energy: -250.606 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: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -3172.389709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.389709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.389709 (E_RNA) where: Base-Base interactions energy: -2218.778 where: short stacking energy: -963.479 Base-Backbone interact. energy: -4.166 local terms energy: -949.445685 where: bonds (distance) C4'-P energy: -168.215 bonds (distance) P-C4' energy: -187.946 flat angles C4'-P-C4' energy: -193.213 flat angles P-C4'-P energy: -131.473 tors. eta vs tors. theta energy: -268.598 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: 394 Temperature: 1.050000 Total energy: -3012.229354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.229354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.229354 (E_RNA) where: Base-Base interactions energy: -2137.731 where: short stacking energy: -894.057 Base-Backbone interact. energy: -2.753 local terms energy: -871.745793 where: bonds (distance) C4'-P energy: -168.635 bonds (distance) P-C4' energy: -170.907 flat angles C4'-P-C4' energy: -194.410 flat angles P-C4'-P energy: -106.568 tors. eta vs tors. theta energy: -231.227 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: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2940.835039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.835039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.835039 (E_RNA) where: Base-Base interactions energy: -2066.359 where: short stacking energy: -861.548 Base-Backbone interact. energy: -3.363 local terms energy: -871.113459 where: bonds (distance) C4'-P energy: -155.527 bonds (distance) P-C4' energy: -154.839 flat angles C4'-P-C4' energy: -198.418 flat angles P-C4'-P energy: -136.052 tors. eta vs tors. theta energy: -226.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2656.773175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.773175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.773175 (E_RNA) where: Base-Base interactions energy: -1873.577 where: short stacking energy: -769.453 Base-Backbone interact. energy: -1.188 local terms energy: -782.008402 where: bonds (distance) C4'-P energy: -156.951 bonds (distance) P-C4' energy: -156.348 flat angles C4'-P-C4' energy: -176.028 flat angles P-C4'-P energy: -108.366 tors. eta vs tors. theta energy: -184.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2481.873966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.873966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.873966 (E_RNA) where: Base-Base interactions energy: -1729.148 where: short stacking energy: -755.132 Base-Backbone interact. energy: -2.461 local terms energy: -750.264800 where: bonds (distance) C4'-P energy: -131.311 bonds (distance) P-C4' energy: -141.391 flat angles C4'-P-C4' energy: -178.795 flat angles P-C4'-P energy: -105.040 tors. eta vs tors. theta energy: -193.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2185.781983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2185.781983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2185.781983 (E_RNA) where: Base-Base interactions energy: -1481.796 where: short stacking energy: -641.859 Base-Backbone interact. energy: 2.539 local terms energy: -706.525131 where: bonds (distance) C4'-P energy: -156.621 bonds (distance) P-C4' energy: -152.665 flat angles C4'-P-C4' energy: -153.779 flat angles P-C4'-P energy: -109.471 tors. eta vs tors. theta energy: -133.989 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: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1870.027764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.027764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.027764 (E_RNA) where: Base-Base interactions energy: -1229.091 where: short stacking energy: -586.952 Base-Backbone interact. energy: 5.532 local terms energy: -646.468020 where: bonds (distance) C4'-P energy: -128.793 bonds (distance) P-C4' energy: -145.620 flat angles C4'-P-C4' energy: -144.597 flat angles P-C4'-P energy: -95.162 tors. eta vs tors. theta energy: -132.296 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1534.893872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.893872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.893872 (E_RNA) where: Base-Base interactions energy: -1034.442 where: short stacking energy: -491.602 Base-Backbone interact. energy: 6.636 local terms energy: -507.087747 where: bonds (distance) C4'-P energy: -116.805 bonds (distance) P-C4' energy: -136.556 flat angles C4'-P-C4' energy: -128.579 flat angles P-C4'-P energy: -62.397 tors. eta vs tors. theta energy: -62.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3453.061615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3453.061615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3453.061615 (E_RNA) where: Base-Base interactions energy: -2430.919 where: short stacking energy: -1024.356 Base-Backbone interact. energy: 1.867 local terms energy: -1024.009860 where: bonds (distance) C4'-P energy: -191.872 bonds (distance) P-C4' energy: -186.087 flat angles C4'-P-C4' energy: -198.547 flat angles P-C4'-P energy: -151.322 tors. eta vs tors. theta energy: -296.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3323.421181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.421181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.421181 (E_RNA) where: Base-Base interactions energy: -2389.197 where: short stacking energy: -947.660 Base-Backbone interact. energy: -4.698 local terms energy: -929.525800 where: bonds (distance) C4'-P energy: -175.789 bonds (distance) P-C4' energy: -176.957 flat angles C4'-P-C4' energy: -188.796 flat angles P-C4'-P energy: -128.558 tors. eta vs tors. theta energy: -259.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -3229.519992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.519992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.519992 (E_RNA) where: Base-Base interactions energy: -2281.466 where: short stacking energy: -983.468 Base-Backbone interact. energy: 1.461 local terms energy: -949.514679 where: bonds (distance) C4'-P energy: -191.538 bonds (distance) P-C4' energy: -160.253 flat angles C4'-P-C4' energy: -197.035 flat angles P-C4'-P energy: -135.613 tors. eta vs tors. theta energy: -265.075 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: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -3002.622972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.622972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.622972 (E_RNA) where: Base-Base interactions energy: -2114.186 where: short stacking energy: -903.679 Base-Backbone interact. energy: -2.509 local terms energy: -885.927385 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -169.626 flat angles C4'-P-C4' energy: -192.436 flat angles P-C4'-P energy: -128.430 tors. eta vs tors. theta energy: -247.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2960.669675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.669675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.669675 (E_RNA) where: Base-Base interactions energy: -2104.680 where: short stacking energy: -879.439 Base-Backbone interact. energy: -2.268 local terms energy: -853.721230 where: bonds (distance) C4'-P energy: -145.839 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -195.300 flat angles P-C4'-P energy: -113.193 tors. eta vs tors. theta energy: -237.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2611.010317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.010317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.010317 (E_RNA) where: Base-Base interactions energy: -1809.560 where: short stacking energy: -772.973 Base-Backbone interact. energy: -4.536 local terms energy: -796.914312 where: bonds (distance) C4'-P energy: -158.401 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -185.867 flat angles P-C4'-P energy: -98.814 tors. eta vs tors. theta energy: -197.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2468.560848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.560848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.560848 (E_RNA) where: Base-Base interactions energy: -1686.700 where: short stacking energy: -750.795 Base-Backbone interact. energy: -1.085 local terms energy: -780.775161 where: bonds (distance) C4'-P energy: -136.416 bonds (distance) P-C4' energy: -156.750 flat angles C4'-P-C4' energy: -172.311 flat angles P-C4'-P energy: -119.086 tors. eta vs tors. theta energy: -196.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -2224.106402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.106402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.106402 (E_RNA) where: Base-Base interactions energy: -1523.489 where: short stacking energy: -661.178 Base-Backbone interact. energy: 0.083 local terms energy: -700.700179 where: bonds (distance) C4'-P energy: -144.265 bonds (distance) P-C4' energy: -156.274 flat angles C4'-P-C4' energy: -165.202 flat angles P-C4'-P energy: -95.979 tors. eta vs tors. theta energy: -138.980 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: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1854.172076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.172076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.172076 (E_RNA) where: Base-Base interactions energy: -1214.213 where: short stacking energy: -549.774 Base-Backbone interact. energy: -1.203 local terms energy: -638.755346 where: bonds (distance) C4'-P energy: -142.596 bonds (distance) P-C4' energy: -144.664 flat angles C4'-P-C4' energy: -148.371 flat angles P-C4'-P energy: -92.928 tors. eta vs tors. theta energy: -110.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1453.555708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.555708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.555708 (E_RNA) where: Base-Base interactions energy: -926.226 where: short stacking energy: -404.662 Base-Backbone interact. energy: 10.383 local terms energy: -537.712711 where: bonds (distance) C4'-P energy: -140.645 bonds (distance) P-C4' energy: -148.618 flat angles C4'-P-C4' energy: -132.862 flat angles P-C4'-P energy: -61.764 tors. eta vs tors. theta energy: -53.824 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: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3474.093456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.093456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.093456 (E_RNA) where: Base-Base interactions energy: -2455.429 where: short stacking energy: -1047.708 Base-Backbone interact. energy: -6.606 local terms energy: -1012.058210 where: bonds (distance) C4'-P energy: -176.145 bonds (distance) P-C4' energy: -174.484 flat angles C4'-P-C4' energy: -214.678 flat angles P-C4'-P energy: -147.301 tors. eta vs tors. theta energy: -299.451 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: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3259.142631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.142631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.142631 (E_RNA) where: Base-Base interactions energy: -2305.536 where: short stacking energy: -956.851 Base-Backbone interact. energy: -2.265 local terms energy: -951.341491 where: bonds (distance) C4'-P energy: -175.766 bonds (distance) P-C4' energy: -183.636 flat angles C4'-P-C4' energy: -203.636 flat angles P-C4'-P energy: -139.684 tors. eta vs tors. theta energy: -248.619 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: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -3165.218711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.218711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.218711 (E_RNA) where: Base-Base interactions energy: -2233.613 where: short stacking energy: -980.358 Base-Backbone interact. energy: 1.212 local terms energy: -932.818062 where: bonds (distance) C4'-P energy: -160.813 bonds (distance) P-C4' energy: -168.016 flat angles C4'-P-C4' energy: -200.056 flat angles P-C4'-P energy: -121.177 tors. eta vs tors. theta energy: -282.755 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: 7 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -3012.732627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.732627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.732627 (E_RNA) where: Base-Base interactions energy: -2120.237 where: short stacking energy: -857.850 Base-Backbone interact. energy: 1.019 local terms energy: -893.514638 where: bonds (distance) C4'-P energy: -177.470 bonds (distance) P-C4' energy: -165.453 flat angles C4'-P-C4' energy: -204.436 flat angles P-C4'-P energy: -123.552 tors. eta vs tors. theta energy: -222.603 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: 4 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2925.849572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.849572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.849572 (E_RNA) where: Base-Base interactions energy: -2055.847 where: short stacking energy: -876.174 Base-Backbone interact. energy: 12.962 local terms energy: -882.964834 where: bonds (distance) C4'-P energy: -164.616 bonds (distance) P-C4' energy: -174.879 flat angles C4'-P-C4' energy: -187.929 flat angles P-C4'-P energy: -122.454 tors. eta vs tors. theta energy: -233.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2628.901845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.901845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.901845 (E_RNA) where: Base-Base interactions energy: -1839.826 where: short stacking energy: -781.048 Base-Backbone interact. energy: -4.747 local terms energy: -784.328430 where: bonds (distance) C4'-P energy: -151.544 bonds (distance) P-C4' energy: -149.537 flat angles C4'-P-C4' energy: -179.436 flat angles P-C4'-P energy: -112.840 tors. eta vs tors. theta energy: -190.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2483.743558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.743558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.743558 (E_RNA) where: Base-Base interactions energy: -1751.860 where: short stacking energy: -770.612 Base-Backbone interact. energy: 10.196 local terms energy: -742.080162 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -163.334 flat angles C4'-P-C4' energy: -167.757 flat angles P-C4'-P energy: -88.633 tors. eta vs tors. theta energy: -180.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -2237.284515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.284515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.284515 (E_RNA) where: Base-Base interactions energy: -1548.436 where: short stacking energy: -661.490 Base-Backbone interact. energy: -1.153 local terms energy: -687.696225 where: bonds (distance) C4'-P energy: -141.813 bonds (distance) P-C4' energy: -160.205 flat angles C4'-P-C4' energy: -161.137 flat angles P-C4'-P energy: -89.000 tors. eta vs tors. theta energy: -135.541 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: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1850.882072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.882072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.882072 (E_RNA) where: Base-Base interactions energy: -1208.497 where: short stacking energy: -552.765 Base-Backbone interact. energy: -2.019 local terms energy: -640.365980 where: bonds (distance) C4'-P energy: -122.822 bonds (distance) P-C4' energy: -168.521 flat angles C4'-P-C4' energy: -159.942 flat angles P-C4'-P energy: -95.909 tors. eta vs tors. theta energy: -93.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1484.680206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.680206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.680206 (E_RNA) where: Base-Base interactions energy: -969.998 where: short stacking energy: -472.548 Base-Backbone interact. energy: 3.217 local terms energy: -517.898680 where: bonds (distance) C4'-P energy: -117.908 bonds (distance) P-C4' energy: -127.267 flat angles C4'-P-C4' energy: -148.726 flat angles P-C4'-P energy: -85.767 tors. eta vs tors. theta energy: -38.231 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: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3502.306477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3502.306477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3502.306477 (E_RNA) where: Base-Base interactions energy: -2466.789 where: short stacking energy: -1067.205 Base-Backbone interact. energy: -7.592 local terms energy: -1027.925400 where: bonds (distance) C4'-P energy: -185.497 bonds (distance) P-C4' energy: -183.152 flat angles C4'-P-C4' energy: -222.389 flat angles P-C4'-P energy: -144.127 tors. eta vs tors. theta energy: -292.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3262.626425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.626425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.626425 (E_RNA) where: Base-Base interactions energy: -2304.442 where: short stacking energy: -947.061 Base-Backbone interact. energy: -7.913 local terms energy: -950.270845 where: bonds (distance) C4'-P energy: -187.221 bonds (distance) P-C4' energy: -187.616 flat angles C4'-P-C4' energy: -198.434 flat angles P-C4'-P energy: -134.051 tors. eta vs tors. theta energy: -242.949 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -3162.239989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.239989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.239989 (E_RNA) where: Base-Base interactions energy: -2221.959 where: short stacking energy: -961.641 Base-Backbone interact. energy: -3.786 local terms energy: -936.494727 where: bonds (distance) C4'-P energy: -175.070 bonds (distance) P-C4' energy: -172.398 flat angles C4'-P-C4' energy: -202.495 flat angles P-C4'-P energy: -123.539 tors. eta vs tors. theta energy: -262.993 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: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -3023.446706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.446706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.446706 (E_RNA) where: Base-Base interactions energy: -2170.308 where: short stacking energy: -902.171 Base-Backbone interact. energy: 7.386 local terms energy: -860.525101 where: bonds (distance) C4'-P energy: -169.220 bonds (distance) P-C4' energy: -155.612 flat angles C4'-P-C4' energy: -186.430 flat angles P-C4'-P energy: -126.429 tors. eta vs tors. theta energy: -222.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2900.964905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.964905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.964905 (E_RNA) where: Base-Base interactions energy: -2028.531 where: short stacking energy: -863.559 Base-Backbone interact. energy: -3.821 local terms energy: -868.612598 where: bonds (distance) C4'-P energy: -158.629 bonds (distance) P-C4' energy: -159.256 flat angles C4'-P-C4' energy: -198.390 flat angles P-C4'-P energy: -120.085 tors. eta vs tors. theta energy: -232.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2618.502707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.502707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.502707 (E_RNA) where: Base-Base interactions energy: -1845.634 where: short stacking energy: -793.071 Base-Backbone interact. energy: -2.551 local terms energy: -770.317593 where: bonds (distance) C4'-P energy: -141.499 bonds (distance) P-C4' energy: -151.812 flat angles C4'-P-C4' energy: -172.291 flat angles P-C4'-P energy: -114.054 tors. eta vs tors. theta energy: -190.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2490.604480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.604480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.604480 (E_RNA) where: Base-Base interactions energy: -1741.575 where: short stacking energy: -745.644 Base-Backbone interact. energy: -0.695 local terms energy: -748.334083 where: bonds (distance) C4'-P energy: -149.874 bonds (distance) P-C4' energy: -147.054 flat angles C4'-P-C4' energy: -167.453 flat angles P-C4'-P energy: -94.981 tors. eta vs tors. theta energy: -188.973 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: 8, replica: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2200.202187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.202187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.202187 (E_RNA) where: Base-Base interactions energy: -1513.185 where: short stacking energy: -645.765 Base-Backbone interact. energy: -1.328 local terms energy: -685.688980 where: bonds (distance) C4'-P energy: -148.938 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -152.973 flat angles P-C4'-P energy: -90.585 tors. eta vs tors. theta energy: -134.075 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: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1811.642412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.642412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.642412 (E_RNA) where: Base-Base interactions energy: -1177.215 where: short stacking energy: -517.328 Base-Backbone interact. energy: -4.317 local terms energy: -630.110155 where: bonds (distance) C4'-P energy: -141.989 bonds (distance) P-C4' energy: -159.092 flat angles C4'-P-C4' energy: -149.266 flat angles P-C4'-P energy: -92.906 tors. eta vs tors. theta energy: -86.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1478.635955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.635955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.635955 (E_RNA) where: Base-Base interactions energy: -929.601 where: short stacking energy: -436.009 Base-Backbone interact. energy: -2.060 local terms energy: -546.974776 where: bonds (distance) C4'-P energy: -129.956 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -154.737 flat angles P-C4'-P energy: -69.690 tors. eta vs tors. theta energy: -50.391 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: 2 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3467.396062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.396062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.396062 (E_RNA) where: Base-Base interactions energy: -2458.749 where: short stacking energy: -1052.204 Base-Backbone interact. energy: -5.383 local terms energy: -1003.264039 where: bonds (distance) C4'-P energy: -185.386 bonds (distance) P-C4' energy: -183.581 flat angles C4'-P-C4' energy: -211.549 flat angles P-C4'-P energy: -136.186 tors. eta vs tors. theta energy: -286.561 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: 398 Temperature: 0.950000 Total energy: -3235.765330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.765330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.765330 (E_RNA) where: Base-Base interactions energy: -2262.457 where: short stacking energy: -939.152 Base-Backbone interact. energy: -6.124 local terms energy: -967.184809 where: bonds (distance) C4'-P energy: -178.782 bonds (distance) P-C4' energy: -185.105 flat angles C4'-P-C4' energy: -203.940 flat angles P-C4'-P energy: -148.269 tors. eta vs tors. theta energy: -251.089 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: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -3188.948662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.948662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.948662 (E_RNA) where: Base-Base interactions energy: -2256.985 where: short stacking energy: -958.346 Base-Backbone interact. energy: -3.686 local terms energy: -928.277214 where: bonds (distance) C4'-P energy: -173.829 bonds (distance) P-C4' energy: -160.430 flat angles C4'-P-C4' energy: -192.609 flat angles P-C4'-P energy: -139.951 tors. eta vs tors. theta energy: -261.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -3047.284789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.284789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.284789 (E_RNA) where: Base-Base interactions energy: -2155.359 where: short stacking energy: -927.572 Base-Backbone interact. energy: -5.892 local terms energy: -886.034029 where: bonds (distance) C4'-P energy: -150.408 bonds (distance) P-C4' energy: -174.202 flat angles C4'-P-C4' energy: -198.841 flat angles P-C4'-P energy: -122.320 tors. eta vs tors. theta energy: -240.263 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: 4 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2927.383397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.383397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.383397 (E_RNA) where: Base-Base interactions energy: -2076.519 where: short stacking energy: -897.489 Base-Backbone interact. energy: 3.783 local terms energy: -854.646802 where: bonds (distance) C4'-P energy: -154.888 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -194.199 flat angles P-C4'-P energy: -130.349 tors. eta vs tors. theta energy: -231.127 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: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2628.141942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.141942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.141942 (E_RNA) where: Base-Base interactions energy: -1795.450 where: short stacking energy: -767.050 Base-Backbone interact. energy: -2.036 local terms energy: -830.656186 where: bonds (distance) C4'-P energy: -146.397 bonds (distance) P-C4' energy: -177.451 flat angles C4'-P-C4' energy: -187.650 flat angles P-C4'-P energy: -121.548 tors. eta vs tors. theta energy: -197.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2513.237723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.237723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.237723 (E_RNA) where: Base-Base interactions energy: -1772.051 where: short stacking energy: -757.147 Base-Backbone interact. energy: -2.526 local terms energy: -738.660048 where: bonds (distance) C4'-P energy: -136.879 bonds (distance) P-C4' energy: -142.306 flat angles C4'-P-C4' energy: -178.561 flat angles P-C4'-P energy: -90.621 tors. eta vs tors. theta energy: -190.292 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: 1 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2260.062627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2260.062627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2260.062627 (E_RNA) where: Base-Base interactions energy: -1510.881 where: short stacking energy: -677.862 Base-Backbone interact. energy: 0.624 local terms energy: -749.805672 where: bonds (distance) C4'-P energy: -172.187 bonds (distance) P-C4' energy: -174.971 flat angles C4'-P-C4' energy: -169.512 flat angles P-C4'-P energy: -88.302 tors. eta vs tors. theta energy: -144.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1876.478585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.478585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.478585 (E_RNA) where: Base-Base interactions energy: -1229.091 where: short stacking energy: -546.318 Base-Backbone interact. energy: 2.713 local terms energy: -650.101054 where: bonds (distance) C4'-P energy: -133.741 bonds (distance) P-C4' energy: -160.294 flat angles C4'-P-C4' energy: -146.703 flat angles P-C4'-P energy: -90.506 tors. eta vs tors. theta energy: -118.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1453.192724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.192724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.192724 (E_RNA) where: Base-Base interactions energy: -913.539 where: short stacking energy: -475.359 Base-Backbone interact. energy: -1.652 local terms energy: -538.001257 where: bonds (distance) C4'-P energy: -137.306 bonds (distance) P-C4' energy: -125.501 flat angles C4'-P-C4' energy: -141.368 flat angles P-C4'-P energy: -75.694 tors. eta vs tors. theta energy: -58.131 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: 2 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3494.339490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.339490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.339490 (E_RNA) where: Base-Base interactions energy: -2451.145 where: short stacking energy: -1027.539 Base-Backbone interact. energy: -2.638 local terms energy: -1040.557061 where: bonds (distance) C4'-P energy: -183.927 bonds (distance) P-C4' energy: -203.408 flat angles C4'-P-C4' energy: -211.227 flat angles P-C4'-P energy: -147.499 tors. eta vs tors. theta energy: -294.495 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: 6 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3273.050269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.050269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.050269 (E_RNA) where: Base-Base interactions energy: -2307.893 where: short stacking energy: -946.942 Base-Backbone interact. energy: -4.122 local terms energy: -961.035622 where: bonds (distance) C4'-P energy: -174.152 bonds (distance) P-C4' energy: -178.806 flat angles C4'-P-C4' energy: -207.458 flat angles P-C4'-P energy: -141.531 tors. eta vs tors. theta energy: -259.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -3195.459056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.459056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.459056 (E_RNA) where: Base-Base interactions energy: -2246.976 where: short stacking energy: -968.002 Base-Backbone interact. energy: -3.222 local terms energy: -945.261194 where: bonds (distance) C4'-P energy: -158.950 bonds (distance) P-C4' energy: -176.742 flat angles C4'-P-C4' energy: -203.519 flat angles P-C4'-P energy: -136.247 tors. eta vs tors. theta energy: -269.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -3031.812296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.812296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.812296 (E_RNA) where: Base-Base interactions energy: -2175.948 where: short stacking energy: -877.150 Base-Backbone interact. energy: -1.252 local terms energy: -854.612748 where: bonds (distance) C4'-P energy: -157.874 bonds (distance) P-C4' energy: -162.952 flat angles C4'-P-C4' energy: -204.214 flat angles P-C4'-P energy: -108.725 tors. eta vs tors. theta energy: -220.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2912.986346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.986346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.986346 (E_RNA) where: Base-Base interactions energy: -2061.692 where: short stacking energy: -874.199 Base-Backbone interact. energy: -0.404 local terms energy: -850.890800 where: bonds (distance) C4'-P energy: -166.769 bonds (distance) P-C4' energy: -156.709 flat angles C4'-P-C4' energy: -190.266 flat angles P-C4'-P energy: -120.221 tors. eta vs tors. theta energy: -216.926 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: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2633.885191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.885191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.885191 (E_RNA) where: Base-Base interactions energy: -1855.652 where: short stacking energy: -784.729 Base-Backbone interact. energy: -4.228 local terms energy: -774.005450 where: bonds (distance) C4'-P energy: -150.471 bonds (distance) P-C4' energy: -148.224 flat angles C4'-P-C4' energy: -177.524 flat angles P-C4'-P energy: -116.531 tors. eta vs tors. theta energy: -181.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2487.217295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.217295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.217295 (E_RNA) where: Base-Base interactions energy: -1724.390 where: short stacking energy: -766.723 Base-Backbone interact. energy: -2.418 local terms energy: -760.410064 where: bonds (distance) C4'-P energy: -160.108 bonds (distance) P-C4' energy: -137.004 flat angles C4'-P-C4' energy: -178.170 flat angles P-C4'-P energy: -99.612 tors. eta vs tors. theta energy: -185.516 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: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2210.298294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.298294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.298294 (E_RNA) where: Base-Base interactions energy: -1488.840 where: short stacking energy: -678.618 Base-Backbone interact. energy: 0.093 local terms energy: -721.551903 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -138.921 flat angles C4'-P-C4' energy: -167.554 flat angles P-C4'-P energy: -122.682 tors. eta vs tors. theta energy: -159.301 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: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1871.937379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.937379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.937379 (E_RNA) where: Base-Base interactions energy: -1238.512 where: short stacking energy: -550.981 Base-Backbone interact. energy: -0.703 local terms energy: -632.722809 where: bonds (distance) C4'-P energy: -140.207 bonds (distance) P-C4' energy: -160.815 flat angles C4'-P-C4' energy: -149.111 flat angles P-C4'-P energy: -82.043 tors. eta vs tors. theta energy: -100.547 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: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1462.763970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.763970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.763970 (E_RNA) where: Base-Base interactions energy: -935.029 where: short stacking energy: -435.253 Base-Backbone interact. energy: -3.700 local terms energy: -524.035131 where: bonds (distance) C4'-P energy: -115.003 bonds (distance) P-C4' energy: -162.295 flat angles C4'-P-C4' energy: -123.370 flat angles P-C4'-P energy: -60.809 tors. eta vs tors. theta energy: -62.558 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: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3459.673235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3459.673235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3459.673235 (E_RNA) where: Base-Base interactions energy: -2438.921 where: short stacking energy: -1024.707 Base-Backbone interact. energy: -6.099 local terms energy: -1014.652854 where: bonds (distance) C4'-P energy: -180.854 bonds (distance) P-C4' energy: -181.088 flat angles C4'-P-C4' energy: -208.954 flat angles P-C4'-P energy: -152.286 tors. eta vs tors. theta energy: -291.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -3290.302259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.302259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.302259 (E_RNA) where: Base-Base interactions energy: -2313.407 where: short stacking energy: -948.970 Base-Backbone interact. energy: -3.750 local terms energy: -973.145178 where: bonds (distance) C4'-P energy: -184.272 bonds (distance) P-C4' energy: -175.278 flat angles C4'-P-C4' energy: -200.427 flat angles P-C4'-P energy: -140.916 tors. eta vs tors. theta energy: -272.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -3143.557582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.557582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.557582 (E_RNA) where: Base-Base interactions energy: -2203.588 where: short stacking energy: -960.475 Base-Backbone interact. energy: -4.685 local terms energy: -935.284801 where: bonds (distance) C4'-P energy: -166.848 bonds (distance) P-C4' energy: -177.567 flat angles C4'-P-C4' energy: -199.752 flat angles P-C4'-P energy: -138.941 tors. eta vs tors. theta energy: -252.177 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: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -3051.185826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.185826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.185826 (E_RNA) where: Base-Base interactions energy: -2158.341 where: short stacking energy: -902.670 Base-Backbone interact. energy: -3.079 local terms energy: -889.766185 where: bonds (distance) C4'-P energy: -173.969 bonds (distance) P-C4' energy: -162.530 flat angles C4'-P-C4' energy: -198.562 flat angles P-C4'-P energy: -121.593 tors. eta vs tors. theta energy: -233.113 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: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2939.152981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.152981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.152981 (E_RNA) where: Base-Base interactions energy: -2021.239 where: short stacking energy: -849.491 Base-Backbone interact. energy: -3.150 local terms energy: -914.763418 where: bonds (distance) C4'-P energy: -174.092 bonds (distance) P-C4' energy: -195.302 flat angles C4'-P-C4' energy: -196.370 flat angles P-C4'-P energy: -120.560 tors. eta vs tors. theta energy: -228.439 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: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2614.035130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.035130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.035130 (E_RNA) where: Base-Base interactions energy: -1848.044 where: short stacking energy: -787.303 Base-Backbone interact. energy: -2.442 local terms energy: -763.548752 where: bonds (distance) C4'-P energy: -142.765 bonds (distance) P-C4' energy: -157.714 flat angles C4'-P-C4' energy: -169.786 flat angles P-C4'-P energy: -105.046 tors. eta vs tors. theta energy: -188.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2442.277818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.277818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.277818 (E_RNA) where: Base-Base interactions energy: -1715.118 where: short stacking energy: -724.528 Base-Backbone interact. energy: -1.845 local terms energy: -725.314412 where: bonds (distance) C4'-P energy: -144.899 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -147.109 flat angles P-C4'-P energy: -92.707 tors. eta vs tors. theta energy: -179.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -2224.044003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.044003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.044003 (E_RNA) where: Base-Base interactions energy: -1546.852 where: short stacking energy: -663.186 Base-Backbone interact. energy: 3.375 local terms energy: -680.566526 where: bonds (distance) C4'-P energy: -117.453 bonds (distance) P-C4' energy: -135.720 flat angles C4'-P-C4' energy: -164.151 flat angles P-C4'-P energy: -95.985 tors. eta vs tors. theta energy: -167.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1867.244713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.244713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.244713 (E_RNA) where: Base-Base interactions energy: -1238.326 where: short stacking energy: -575.336 Base-Backbone interact. energy: 1.925 local terms energy: -630.843630 where: bonds (distance) C4'-P energy: -147.309 bonds (distance) P-C4' energy: -120.909 flat angles C4'-P-C4' energy: -159.997 flat angles P-C4'-P energy: -88.561 tors. eta vs tors. theta energy: -114.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1613.185877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.185877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.185877 (E_RNA) where: Base-Base interactions energy: -1020.922 where: short stacking energy: -464.652 Base-Backbone interact. energy: 2.237 local terms energy: -594.500172 where: bonds (distance) C4'-P energy: -160.055 bonds (distance) P-C4' energy: -142.479 flat angles C4'-P-C4' energy: -127.498 flat angles P-C4'-P energy: -94.982 tors. eta vs tors. theta energy: -69.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3461.721382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.721382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.721382 (E_RNA) where: Base-Base interactions energy: -2449.967 where: short stacking energy: -1026.766 Base-Backbone interact. energy: -2.999 local terms energy: -1008.754951 where: bonds (distance) C4'-P energy: -187.598 bonds (distance) P-C4' energy: -189.757 flat angles C4'-P-C4' energy: -219.851 flat angles P-C4'-P energy: -125.392 tors. eta vs tors. theta energy: -286.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -3323.942815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.942815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.942815 (E_RNA) where: Base-Base interactions energy: -2345.531 where: short stacking energy: -935.194 Base-Backbone interact. energy: 3.359 local terms energy: -981.770533 where: bonds (distance) C4'-P energy: -189.330 bonds (distance) P-C4' energy: -172.250 flat angles C4'-P-C4' energy: -215.307 flat angles P-C4'-P energy: -136.686 tors. eta vs tors. theta energy: -268.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -3168.958707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.958707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.958707 (E_RNA) where: Base-Base interactions energy: -2243.640 where: short stacking energy: -972.613 Base-Backbone interact. energy: -1.619 local terms energy: -923.700097 where: bonds (distance) C4'-P energy: -165.468 bonds (distance) P-C4' energy: -157.137 flat angles C4'-P-C4' energy: -199.160 flat angles P-C4'-P energy: -136.156 tors. eta vs tors. theta energy: -265.779 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: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -3071.955405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.955405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.955405 (E_RNA) where: Base-Base interactions energy: -2175.701 where: short stacking energy: -916.056 Base-Backbone interact. energy: -2.564 local terms energy: -893.690328 where: bonds (distance) C4'-P energy: -178.456 bonds (distance) P-C4' energy: -156.947 flat angles C4'-P-C4' energy: -190.075 flat angles P-C4'-P energy: -130.706 tors. eta vs tors. theta energy: -237.507 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: 5, replica: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2954.387920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.387920 (E_RNA) where: Base-Base interactions energy: -2109.952 where: short stacking energy: -875.991 Base-Backbone interact. energy: 3.111 local terms energy: -847.546946 where: bonds (distance) C4'-P energy: -160.940 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -179.537 flat angles P-C4'-P energy: -126.455 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: 6, replica: 8 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2590.095644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2590.095644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2590.095644 (E_RNA) where: Base-Base interactions energy: -1815.308 where: short stacking energy: -769.893 Base-Backbone interact. energy: 3.723 local terms energy: -778.510935 where: bonds (distance) C4'-P energy: -159.267 bonds (distance) P-C4' energy: -152.509 flat angles C4'-P-C4' energy: -171.231 flat angles P-C4'-P energy: -102.305 tors. eta vs tors. theta energy: -193.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2407.480020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.480020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.480020 (E_RNA) where: Base-Base interactions energy: -1691.097 where: short stacking energy: -719.534 Base-Backbone interact. energy: 1.417 local terms energy: -717.799705 where: bonds (distance) C4'-P energy: -142.919 bonds (distance) P-C4' energy: -128.762 flat angles C4'-P-C4' energy: -161.946 flat angles P-C4'-P energy: -117.779 tors. eta vs tors. theta energy: -166.394 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: 8, replica: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -2311.320276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.320276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.320276 (E_RNA) where: Base-Base interactions energy: -1575.745 where: short stacking energy: -679.018 Base-Backbone interact. energy: -3.072 local terms energy: -732.503126 where: bonds (distance) C4'-P energy: -133.854 bonds (distance) P-C4' energy: -163.709 flat angles C4'-P-C4' energy: -166.494 flat angles P-C4'-P energy: -94.663 tors. eta vs tors. theta energy: -173.783 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: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1907.871468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.871468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.871468 (E_RNA) where: Base-Base interactions energy: -1252.742 where: short stacking energy: -551.894 Base-Backbone interact. energy: 1.083 local terms energy: -656.212542 where: bonds (distance) C4'-P energy: -149.717 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -159.872 flat angles P-C4'-P energy: -79.687 tors. eta vs tors. theta energy: -109.340 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: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1631.752265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.752265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.752265 (E_RNA) where: Base-Base interactions energy: -1053.355 where: short stacking energy: -508.283 Base-Backbone interact. energy: -0.042 local terms energy: -578.354399 where: bonds (distance) C4'-P energy: -122.167 bonds (distance) P-C4' energy: -136.276 flat angles C4'-P-C4' energy: -140.580 flat angles P-C4'-P energy: -91.561 tors. eta vs tors. theta energy: -87.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3458.371764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.371764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.371764 (E_RNA) where: Base-Base interactions energy: -2421.033 where: short stacking energy: -1016.196 Base-Backbone interact. energy: -5.199 local terms energy: -1032.139510 where: bonds (distance) C4'-P energy: -202.436 bonds (distance) P-C4' energy: -166.850 flat angles C4'-P-C4' energy: -218.954 flat angles P-C4'-P energy: -146.749 tors. eta vs tors. theta energy: -297.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3298.319808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.319808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.319808 (E_RNA) where: Base-Base interactions energy: -2338.741 where: short stacking energy: -961.019 Base-Backbone interact. energy: -2.672 local terms energy: -956.906846 where: bonds (distance) C4'-P energy: -176.102 bonds (distance) P-C4' energy: -178.445 flat angles C4'-P-C4' energy: -196.499 flat angles P-C4'-P energy: -130.321 tors. eta vs tors. theta energy: -275.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -3161.877390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.877390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.877390 (E_RNA) where: Base-Base interactions energy: -2211.236 where: short stacking energy: -945.020 Base-Backbone interact. energy: -4.172 local terms energy: -946.468735 where: bonds (distance) C4'-P energy: -170.215 bonds (distance) P-C4' energy: -176.043 flat angles C4'-P-C4' energy: -202.073 flat angles P-C4'-P energy: -142.661 tors. eta vs tors. theta energy: -255.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -3072.833223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3072.833223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3072.833223 (E_RNA) where: Base-Base interactions energy: -2204.560 where: short stacking energy: -898.296 Base-Backbone interact. energy: 2.802 local terms energy: -871.075532 where: bonds (distance) C4'-P energy: -161.831 bonds (distance) P-C4' energy: -181.769 flat angles C4'-P-C4' energy: -198.218 flat angles P-C4'-P energy: -113.897 tors. eta vs tors. theta energy: -215.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2933.955644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.955644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.955644 (E_RNA) where: Base-Base interactions energy: -2076.497 where: short stacking energy: -903.800 Base-Backbone interact. energy: -4.266 local terms energy: -853.192104 where: bonds (distance) C4'-P energy: -147.640 bonds (distance) P-C4' energy: -160.900 flat angles C4'-P-C4' energy: -181.670 flat angles P-C4'-P energy: -124.042 tors. eta vs tors. theta energy: -238.940 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: 8 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2588.227257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.227257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.227257 (E_RNA) where: Base-Base interactions energy: -1802.427 where: short stacking energy: -794.700 Base-Backbone interact. energy: -2.945 local terms energy: -782.854856 where: bonds (distance) C4'-P energy: -162.854 bonds (distance) P-C4' energy: -147.953 flat angles C4'-P-C4' energy: -167.340 flat angles P-C4'-P energy: -117.059 tors. eta vs tors. theta energy: -187.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2410.418022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.418022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.418022 (E_RNA) where: Base-Base interactions energy: -1665.604 where: short stacking energy: -703.376 Base-Backbone interact. energy: -3.687 local terms energy: -741.127378 where: bonds (distance) C4'-P energy: -155.908 bonds (distance) P-C4' energy: -142.366 flat angles C4'-P-C4' energy: -180.445 flat angles P-C4'-P energy: -94.168 tors. eta vs tors. theta energy: -168.240 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: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2316.750728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.750728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.750728 (E_RNA) where: Base-Base interactions energy: -1541.583 where: short stacking energy: -674.717 Base-Backbone interact. energy: -0.818 local terms energy: -774.350346 where: bonds (distance) C4'-P energy: -162.143 bonds (distance) P-C4' energy: -169.390 flat angles C4'-P-C4' energy: -154.555 flat angles P-C4'-P energy: -111.494 tors. eta vs tors. theta energy: -176.768 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: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1993.415013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.415013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.415013 (E_RNA) where: Base-Base interactions energy: -1330.514 where: short stacking energy: -584.524 Base-Backbone interact. energy: 0.125 local terms energy: -663.026824 where: bonds (distance) C4'-P energy: -109.999 bonds (distance) P-C4' energy: -138.137 flat angles C4'-P-C4' energy: -173.978 flat angles P-C4'-P energy: -116.265 tors. eta vs tors. theta energy: -124.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1566.522228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.522228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.522228 (E_RNA) where: Base-Base interactions energy: -995.173 where: short stacking energy: -488.348 Base-Backbone interact. energy: -3.458 local terms energy: -567.892142 where: bonds (distance) C4'-P energy: -105.978 bonds (distance) P-C4' energy: -150.872 flat angles C4'-P-C4' energy: -131.033 flat angles P-C4'-P energy: -96.380 tors. eta vs tors. theta energy: -83.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3454.140072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.140072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.140072 (E_RNA) where: Base-Base interactions energy: -2430.644 where: short stacking energy: -1047.453 Base-Backbone interact. energy: -2.946 local terms energy: -1020.550602 where: bonds (distance) C4'-P energy: -184.558 bonds (distance) P-C4' energy: -184.438 flat angles C4'-P-C4' energy: -214.618 flat angles P-C4'-P energy: -141.488 tors. eta vs tors. theta energy: -295.449 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: 6 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3279.987126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.987126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.987126 (E_RNA) where: Base-Base interactions energy: -2355.412 where: short stacking energy: -963.145 Base-Backbone interact. energy: -2.981 local terms energy: -921.594486 where: bonds (distance) C4'-P energy: -182.380 bonds (distance) P-C4' energy: -171.715 flat angles C4'-P-C4' energy: -200.424 flat angles P-C4'-P energy: -130.186 tors. eta vs tors. theta energy: -236.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -3190.000104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.000104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.000104 (E_RNA) where: Base-Base interactions energy: -2223.854 where: short stacking energy: -966.828 Base-Backbone interact. energy: -3.012 local terms energy: -963.133307 where: bonds (distance) C4'-P energy: -173.223 bonds (distance) P-C4' energy: -177.246 flat angles C4'-P-C4' energy: -215.363 flat angles P-C4'-P energy: -125.676 tors. eta vs tors. theta energy: -271.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -3063.023014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.023014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.023014 (E_RNA) where: Base-Base interactions energy: -2151.882 where: short stacking energy: -885.125 Base-Backbone interact. energy: 2.253 local terms energy: -913.393957 where: bonds (distance) C4'-P energy: -175.642 bonds (distance) P-C4' energy: -182.653 flat angles C4'-P-C4' energy: -189.581 flat angles P-C4'-P energy: -139.150 tors. eta vs tors. theta energy: -226.367 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: 5, replica: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2915.005660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.005660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.005660 (E_RNA) where: Base-Base interactions energy: -2077.824 where: short stacking energy: -846.796 Base-Backbone interact. energy: 2.420 local terms energy: -839.601639 where: bonds (distance) C4'-P energy: -163.083 bonds (distance) P-C4' energy: -167.533 flat angles C4'-P-C4' energy: -176.078 flat angles P-C4'-P energy: -118.116 tors. eta vs tors. theta energy: -214.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2550.344683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.344683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.344683 (E_RNA) where: Base-Base interactions energy: -1751.673 where: short stacking energy: -787.760 Base-Backbone interact. energy: -3.902 local terms energy: -794.769613 where: bonds (distance) C4'-P energy: -143.015 bonds (distance) P-C4' energy: -160.655 flat angles C4'-P-C4' energy: -188.778 flat angles P-C4'-P energy: -122.701 tors. eta vs tors. theta energy: -179.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2497.082172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.082172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.082172 (E_RNA) where: Base-Base interactions energy: -1754.857 where: short stacking energy: -733.612 Base-Backbone interact. energy: 1.130 local terms energy: -743.355679 where: bonds (distance) C4'-P energy: -167.874 bonds (distance) P-C4' energy: -140.384 flat angles C4'-P-C4' energy: -157.306 flat angles P-C4'-P energy: -95.047 tors. eta vs tors. theta energy: -182.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -2273.051237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2273.051237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2273.051237 (E_RNA) where: Base-Base interactions energy: -1562.225 where: short stacking energy: -715.163 Base-Backbone interact. energy: 2.270 local terms energy: -713.095910 where: bonds (distance) C4'-P energy: -149.818 bonds (distance) P-C4' energy: -129.414 flat angles C4'-P-C4' energy: -171.436 flat angles P-C4'-P energy: -87.646 tors. eta vs tors. theta energy: -174.783 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: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1956.118903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.118903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.118903 (E_RNA) where: Base-Base interactions energy: -1324.186 where: short stacking energy: -583.512 Base-Backbone interact. energy: 4.096 local terms energy: -636.028688 where: bonds (distance) C4'-P energy: -105.811 bonds (distance) P-C4' energy: -139.480 flat angles C4'-P-C4' energy: -175.545 flat angles P-C4'-P energy: -84.823 tors. eta vs tors. theta energy: -130.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1506.022692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.022692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.022692 (E_RNA) where: Base-Base interactions energy: -966.261 where: short stacking energy: -458.044 Base-Backbone interact. energy: 8.707 local terms energy: -548.468490 where: bonds (distance) C4'-P energy: -110.377 bonds (distance) P-C4' energy: -137.980 flat angles C4'-P-C4' energy: -152.191 flat angles P-C4'-P energy: -102.218 tors. eta vs tors. theta energy: -45.704 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: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3461.957439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.957439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.957439 (E_RNA) where: Base-Base interactions energy: -2418.887 where: short stacking energy: -1048.986 Base-Backbone interact. energy: -1.610 local terms energy: -1041.460407 where: bonds (distance) C4'-P energy: -188.734 bonds (distance) P-C4' energy: -194.761 flat angles C4'-P-C4' energy: -217.320 flat angles P-C4'-P energy: -148.044 tors. eta vs tors. theta energy: -292.601 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: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3284.395145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.395145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.395145 (E_RNA) where: Base-Base interactions energy: -2314.821 where: short stacking energy: -956.298 Base-Backbone interact. energy: -0.549 local terms energy: -969.025070 where: bonds (distance) C4'-P energy: -187.338 bonds (distance) P-C4' energy: -192.504 flat angles C4'-P-C4' energy: -199.878 flat angles P-C4'-P energy: -132.139 tors. eta vs tors. theta energy: -257.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -3185.241622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.241622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.241622 (E_RNA) where: Base-Base interactions energy: -2230.948 where: short stacking energy: -972.577 Base-Backbone interact. energy: 0.559 local terms energy: -954.852122 where: bonds (distance) C4'-P energy: -179.456 bonds (distance) P-C4' energy: -172.919 flat angles C4'-P-C4' energy: -198.064 flat angles P-C4'-P energy: -135.307 tors. eta vs tors. theta energy: -269.107 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: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -3062.692376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.692376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.692376 (E_RNA) where: Base-Base interactions energy: -2166.238 where: short stacking energy: -891.462 Base-Backbone interact. energy: 1.689 local terms energy: -898.143797 where: bonds (distance) C4'-P energy: -173.317 bonds (distance) P-C4' energy: -164.033 flat angles C4'-P-C4' energy: -189.978 flat angles P-C4'-P energy: -146.329 tors. eta vs tors. theta energy: -224.487 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: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -2926.346476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.346476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.346476 (E_RNA) where: Base-Base interactions energy: -2071.972 where: short stacking energy: -902.409 Base-Backbone interact. energy: -5.777 local terms energy: -848.596919 where: bonds (distance) C4'-P energy: -158.109 bonds (distance) P-C4' energy: -144.876 flat angles C4'-P-C4' energy: -194.037 flat angles P-C4'-P energy: -124.212 tors. eta vs tors. theta energy: -227.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2607.726798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.726798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.726798 (E_RNA) where: Base-Base interactions energy: -1807.591 where: short stacking energy: -770.445 Base-Backbone interact. energy: -2.206 local terms energy: -797.930028 where: bonds (distance) C4'-P energy: -160.985 bonds (distance) P-C4' energy: -136.148 flat angles C4'-P-C4' energy: -179.812 flat angles P-C4'-P energy: -125.498 tors. eta vs tors. theta energy: -195.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2551.681257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.681257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.681257 (E_RNA) where: Base-Base interactions energy: -1779.210 where: short stacking energy: -738.076 Base-Backbone interact. energy: -3.061 local terms energy: -769.410069 where: bonds (distance) C4'-P energy: -154.582 bonds (distance) P-C4' energy: -163.628 flat angles C4'-P-C4' energy: -175.159 flat angles P-C4'-P energy: -102.578 tors. eta vs tors. theta energy: -173.464 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: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -2308.978247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.978247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.978247 (E_RNA) where: Base-Base interactions energy: -1546.127 where: short stacking energy: -682.153 Base-Backbone interact. energy: -1.679 local terms energy: -761.172501 where: bonds (distance) C4'-P energy: -142.320 bonds (distance) P-C4' energy: -157.108 flat angles C4'-P-C4' energy: -174.571 flat angles P-C4'-P energy: -119.932 tors. eta vs tors. theta energy: -167.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1856.716058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.716058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.716058 (E_RNA) where: Base-Base interactions energy: -1244.910 where: short stacking energy: -543.270 Base-Backbone interact. energy: 0.512 local terms energy: -612.317975 where: bonds (distance) C4'-P energy: -137.783 bonds (distance) P-C4' energy: -132.346 flat angles C4'-P-C4' energy: -162.847 flat angles P-C4'-P energy: -88.719 tors. eta vs tors. theta energy: -90.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1524.270594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.270594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.270594 (E_RNA) where: Base-Base interactions energy: -966.284 where: short stacking energy: -441.129 Base-Backbone interact. energy: 2.641 local terms energy: -560.627432 where: bonds (distance) C4'-P energy: -150.362 bonds (distance) P-C4' energy: -161.381 flat angles C4'-P-C4' energy: -140.932 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -42.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3441.041717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3441.041717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3441.041717 (E_RNA) where: Base-Base interactions energy: -2442.395 where: short stacking energy: -1035.883 Base-Backbone interact. energy: -5.568 local terms energy: -993.078166 where: bonds (distance) C4'-P energy: -175.778 bonds (distance) P-C4' energy: -176.721 flat angles C4'-P-C4' energy: -210.238 flat angles P-C4'-P energy: -139.905 tors. eta vs tors. theta energy: -290.435 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: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3308.716322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3308.716322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3308.716322 (E_RNA) where: Base-Base interactions energy: -2326.993 where: short stacking energy: -1019.785 Base-Backbone interact. energy: -3.148 local terms energy: -978.575746 where: bonds (distance) C4'-P energy: -184.764 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -221.576 flat angles P-C4'-P energy: -137.263 tors. eta vs tors. theta energy: -271.690 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: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -3226.125687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.125687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.125687 (E_RNA) where: Base-Base interactions energy: -2291.325 where: short stacking energy: -912.464 Base-Backbone interact. energy: -2.608 local terms energy: -932.193009 where: bonds (distance) C4'-P energy: -177.449 bonds (distance) P-C4' energy: -190.964 flat angles C4'-P-C4' energy: -195.417 flat angles P-C4'-P energy: -123.199 tors. eta vs tors. theta energy: -245.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -3025.508780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.508780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.508780 (E_RNA) where: Base-Base interactions energy: -2165.874 where: short stacking energy: -891.937 Base-Backbone interact. energy: -0.215 local terms energy: -859.419847 where: bonds (distance) C4'-P energy: -155.065 bonds (distance) P-C4' energy: -156.793 flat angles C4'-P-C4' energy: -202.730 flat angles P-C4'-P energy: -124.902 tors. eta vs tors. theta energy: -219.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2903.607471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.607471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.607471 (E_RNA) where: Base-Base interactions energy: -2033.664 where: short stacking energy: -843.997 Base-Backbone interact. energy: -4.048 local terms energy: -865.895515 where: bonds (distance) C4'-P energy: -155.942 bonds (distance) P-C4' energy: -161.444 flat angles C4'-P-C4' energy: -193.491 flat angles P-C4'-P energy: -118.848 tors. eta vs tors. theta energy: -236.171 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: 8 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2645.985406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.985406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.985406 (E_RNA) where: Base-Base interactions energy: -1837.668 where: short stacking energy: -817.067 Base-Backbone interact. energy: 5.039 local terms energy: -813.356738 where: bonds (distance) C4'-P energy: -158.861 bonds (distance) P-C4' energy: -154.382 flat angles C4'-P-C4' energy: -171.183 flat angles P-C4'-P energy: -112.225 tors. eta vs tors. theta energy: -216.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2534.743893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.743893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.743893 (E_RNA) where: Base-Base interactions energy: -1788.886 where: short stacking energy: -758.240 Base-Backbone interact. energy: -0.648 local terms energy: -745.210366 where: bonds (distance) C4'-P energy: -118.109 bonds (distance) P-C4' energy: -163.713 flat angles C4'-P-C4' energy: -173.884 flat angles P-C4'-P energy: -117.635 tors. eta vs tors. theta energy: -171.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -2265.786753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.786753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.786753 (E_RNA) where: Base-Base interactions energy: -1527.525 where: short stacking energy: -667.152 Base-Backbone interact. energy: 1.172 local terms energy: -739.433607 where: bonds (distance) C4'-P energy: -153.926 bonds (distance) P-C4' energy: -153.561 flat angles C4'-P-C4' energy: -177.106 flat angles P-C4'-P energy: -93.794 tors. eta vs tors. theta energy: -161.046 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: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1826.570738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.570738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.570738 (E_RNA) where: Base-Base interactions energy: -1182.335 where: short stacking energy: -525.447 Base-Backbone interact. energy: -0.551 local terms energy: -643.685401 where: bonds (distance) C4'-P energy: -171.896 bonds (distance) P-C4' energy: -145.694 flat angles C4'-P-C4' energy: -151.911 flat angles P-C4'-P energy: -73.699 tors. eta vs tors. theta energy: -100.485 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: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1483.987386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.987386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.987386 (E_RNA) where: Base-Base interactions energy: -902.576 where: short stacking energy: -425.794 Base-Backbone interact. energy: 1.827 local terms energy: -583.239343 where: bonds (distance) C4'-P energy: -142.051 bonds (distance) P-C4' energy: -159.199 flat angles C4'-P-C4' energy: -163.731 flat angles P-C4'-P energy: -65.589 tors. eta vs tors. theta energy: -52.669 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: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3436.428405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.428405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.428405 (E_RNA) where: Base-Base interactions energy: -2396.541 where: short stacking energy: -1041.054 Base-Backbone interact. energy: -4.620 local terms energy: -1035.267313 where: bonds (distance) C4'-P energy: -183.648 bonds (distance) P-C4' energy: -198.532 flat angles C4'-P-C4' energy: -218.361 flat angles P-C4'-P energy: -147.890 tors. eta vs tors. theta energy: -286.836 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: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3291.964551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.964551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.964551 (E_RNA) where: Base-Base interactions energy: -2311.959 where: short stacking energy: -1015.413 Base-Backbone interact. energy: -3.685 local terms energy: -976.319566 where: bonds (distance) C4'-P energy: -176.408 bonds (distance) P-C4' energy: -179.279 flat angles C4'-P-C4' energy: -201.227 flat angles P-C4'-P energy: -146.638 tors. eta vs tors. theta energy: -272.769 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: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -3201.136712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.136712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.136712 (E_RNA) where: Base-Base interactions energy: -2274.181 where: short stacking energy: -943.337 Base-Backbone interact. energy: -1.571 local terms energy: -925.384313 where: bonds (distance) C4'-P energy: -148.801 bonds (distance) P-C4' energy: -182.255 flat angles C4'-P-C4' energy: -194.045 flat angles P-C4'-P energy: -139.169 tors. eta vs tors. theta energy: -261.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -3018.634015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.634015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.634015 (E_RNA) where: Base-Base interactions energy: -2141.603 where: short stacking energy: -862.471 Base-Backbone interact. energy: -1.910 local terms energy: -875.121644 where: bonds (distance) C4'-P energy: -157.715 bonds (distance) P-C4' energy: -169.487 flat angles C4'-P-C4' energy: -193.025 flat angles P-C4'-P energy: -132.003 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: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2882.213184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.213184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.213184 (E_RNA) where: Base-Base interactions energy: -2041.899 where: short stacking energy: -847.843 Base-Backbone interact. energy: -3.504 local terms energy: -836.809479 where: bonds (distance) C4'-P energy: -145.217 bonds (distance) P-C4' energy: -176.512 flat angles C4'-P-C4' energy: -198.766 flat angles P-C4'-P energy: -93.619 tors. eta vs tors. theta energy: -222.696 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: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2677.550862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.550862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.550862 (E_RNA) where: Base-Base interactions energy: -1833.898 where: short stacking energy: -800.929 Base-Backbone interact. energy: -3.656 local terms energy: -839.996945 where: bonds (distance) C4'-P energy: -174.342 bonds (distance) P-C4' energy: -159.981 flat angles C4'-P-C4' energy: -186.879 flat angles P-C4'-P energy: -114.204 tors. eta vs tors. theta energy: -204.591 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: 5 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2594.538585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.538585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.538585 (E_RNA) where: Base-Base interactions energy: -1823.688 where: short stacking energy: -774.980 Base-Backbone interact. energy: -3.463 local terms energy: -767.387573 where: bonds (distance) C4'-P energy: -141.109 bonds (distance) P-C4' energy: -164.485 flat angles C4'-P-C4' energy: -181.634 flat angles P-C4'-P energy: -95.617 tors. eta vs tors. theta energy: -184.542 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: 8, replica: 1 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -2241.309162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2241.309162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2241.309162 (E_RNA) where: Base-Base interactions energy: -1528.961 where: short stacking energy: -646.322 Base-Backbone interact. energy: -2.313 local terms energy: -710.035354 where: bonds (distance) C4'-P energy: -156.113 bonds (distance) P-C4' energy: -163.296 flat angles C4'-P-C4' energy: -164.418 flat angles P-C4'-P energy: -92.129 tors. eta vs tors. theta energy: -134.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1875.599451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.599451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.599451 (E_RNA) where: Base-Base interactions energy: -1240.462 where: short stacking energy: -547.337 Base-Backbone interact. energy: -2.910 local terms energy: -632.228184 where: bonds (distance) C4'-P energy: -136.226 bonds (distance) P-C4' energy: -148.119 flat angles C4'-P-C4' energy: -154.408 flat angles P-C4'-P energy: -98.315 tors. eta vs tors. theta energy: -95.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1504.734616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.734616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.734616 (E_RNA) where: Base-Base interactions energy: -938.440 where: short stacking energy: -396.683 Base-Backbone interact. energy: -0.012 local terms energy: -566.282725 where: bonds (distance) C4'-P energy: -162.637 bonds (distance) P-C4' energy: -136.984 flat angles C4'-P-C4' energy: -141.346 flat angles P-C4'-P energy: -70.107 tors. eta vs tors. theta energy: -55.208 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: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3434.567313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3434.567313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3434.567313 (E_RNA) where: Base-Base interactions energy: -2421.796 where: short stacking energy: -1043.986 Base-Backbone interact. energy: -4.907 local terms energy: -1007.864109 where: bonds (distance) C4'-P energy: -184.147 bonds (distance) P-C4' energy: -192.334 flat angles C4'-P-C4' energy: -204.193 flat angles P-C4'-P energy: -133.248 tors. eta vs tors. theta energy: -293.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3260.061678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.061678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.061678 (E_RNA) where: Base-Base interactions energy: -2294.683 where: short stacking energy: -1010.216 Base-Backbone interact. energy: -0.072 local terms energy: -965.306515 where: bonds (distance) C4'-P energy: -159.567 bonds (distance) P-C4' energy: -183.913 flat angles C4'-P-C4' energy: -209.586 flat angles P-C4'-P energy: -134.502 tors. eta vs tors. theta energy: -277.739 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: 6 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -3252.837166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.837166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.837166 (E_RNA) where: Base-Base interactions energy: -2323.219 where: short stacking energy: -923.649 Base-Backbone interact. energy: -2.237 local terms energy: -927.381144 where: bonds (distance) C4'-P energy: -172.717 bonds (distance) P-C4' energy: -176.580 flat angles C4'-P-C4' energy: -199.319 flat angles P-C4'-P energy: -138.177 tors. eta vs tors. theta energy: -240.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2994.554954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.554954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.554954 (E_RNA) where: Base-Base interactions energy: -2106.376 where: short stacking energy: -872.814 Base-Backbone interact. energy: 0.772 local terms energy: -888.951347 where: bonds (distance) C4'-P energy: -160.153 bonds (distance) P-C4' energy: -166.100 flat angles C4'-P-C4' energy: -194.773 flat angles P-C4'-P energy: -138.369 tors. eta vs tors. theta energy: -229.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -2938.667715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.667715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.667715 (E_RNA) where: Base-Base interactions energy: -2091.015 where: short stacking energy: -853.350 Base-Backbone interact. energy: -1.321 local terms energy: -846.331184 where: bonds (distance) C4'-P energy: -146.701 bonds (distance) P-C4' energy: -151.998 flat angles C4'-P-C4' energy: -201.097 flat angles P-C4'-P energy: -125.550 tors. eta vs tors. theta energy: -220.985 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: 8 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2668.025648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.025648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.025648 (E_RNA) where: Base-Base interactions energy: -1850.766 where: short stacking energy: -781.229 Base-Backbone interact. energy: 1.509 local terms energy: -818.769087 where: bonds (distance) C4'-P energy: -159.795 bonds (distance) P-C4' energy: -177.543 flat angles C4'-P-C4' energy: -175.186 flat angles P-C4'-P energy: -112.850 tors. eta vs tors. theta energy: -193.396 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: 5 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2496.065582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.065582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.065582 (E_RNA) where: Base-Base interactions energy: -1771.918 where: short stacking energy: -709.018 Base-Backbone interact. energy: -2.982 local terms energy: -721.165568 where: bonds (distance) C4'-P energy: -148.249 bonds (distance) P-C4' energy: -164.235 flat angles C4'-P-C4' energy: -166.763 flat angles P-C4'-P energy: -89.250 tors. eta vs tors. theta energy: -152.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -2215.335447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2215.335447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2215.335447 (E_RNA) where: Base-Base interactions energy: -1493.856 where: short stacking energy: -661.520 Base-Backbone interact. energy: 1.478 local terms energy: -722.957649 where: bonds (distance) C4'-P energy: -144.403 bonds (distance) P-C4' energy: -156.782 flat angles C4'-P-C4' energy: -156.249 flat angles P-C4'-P energy: -102.620 tors. eta vs tors. theta energy: -162.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1856.510659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.510659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.510659 (E_RNA) where: Base-Base interactions energy: -1248.236 where: short stacking energy: -537.659 Base-Backbone interact. energy: -2.733 local terms energy: -605.541339 where: bonds (distance) C4'-P energy: -114.707 bonds (distance) P-C4' energy: -160.801 flat angles C4'-P-C4' energy: -139.387 flat angles P-C4'-P energy: -87.930 tors. eta vs tors. theta energy: -102.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1557.130008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.130008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.130008 (E_RNA) where: Base-Base interactions energy: -981.814 where: short stacking energy: -464.798 Base-Backbone interact. energy: 4.593 local terms energy: -579.909766 where: bonds (distance) C4'-P energy: -151.262 bonds (distance) P-C4' energy: -163.832 flat angles C4'-P-C4' energy: -133.196 flat angles P-C4'-P energy: -91.333 tors. eta vs tors. theta energy: -40.286 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: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3485.365932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.365932 (E_RNA) where: Base-Base interactions energy: -2447.810 where: short stacking energy: -1043.385 Base-Backbone interact. energy: -6.671 local terms energy: -1030.884626 where: bonds (distance) C4'-P energy: -185.104 bonds (distance) P-C4' energy: -174.201 flat angles C4'-P-C4' energy: -222.467 flat angles P-C4'-P energy: -146.750 tors. eta vs tors. theta energy: -302.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3234.715675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.715675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.715675 (E_RNA) where: Base-Base interactions energy: -2256.572 where: short stacking energy: -978.653 Base-Backbone interact. energy: -3.305 local terms energy: -974.839263 where: bonds (distance) C4'-P energy: -194.412 bonds (distance) P-C4' energy: -165.744 flat angles C4'-P-C4' energy: -206.332 flat angles P-C4'-P energy: -138.286 tors. eta vs tors. theta energy: -270.065 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: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -3237.284388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.284388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.284388 (E_RNA) where: Base-Base interactions energy: -2302.753 where: short stacking energy: -935.159 Base-Backbone interact. energy: -2.691 local terms energy: -931.840001 where: bonds (distance) C4'-P energy: -181.737 bonds (distance) P-C4' energy: -178.454 flat angles C4'-P-C4' energy: -190.457 flat angles P-C4'-P energy: -128.015 tors. eta vs tors. theta energy: -253.177 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: 7 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -3017.448695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.448695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.448695 (E_RNA) where: Base-Base interactions energy: -2115.316 where: short stacking energy: -879.556 Base-Backbone interact. energy: -3.457 local terms energy: -898.675884 where: bonds (distance) C4'-P energy: -165.718 bonds (distance) P-C4' energy: -179.237 flat angles C4'-P-C4' energy: -205.523 flat angles P-C4'-P energy: -123.015 tors. eta vs tors. theta energy: -225.183 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: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2941.650059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.650059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.650059 (E_RNA) where: Base-Base interactions energy: -2111.573 where: short stacking energy: -862.344 Base-Backbone interact. energy: -3.442 local terms energy: -826.635036 where: bonds (distance) C4'-P energy: -150.023 bonds (distance) P-C4' energy: -170.919 flat angles C4'-P-C4' energy: -195.438 flat angles P-C4'-P energy: -112.487 tors. eta vs tors. theta energy: -197.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2730.379739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.379739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.379739 (E_RNA) where: Base-Base interactions energy: -1895.524 where: short stacking energy: -836.866 Base-Backbone interact. energy: -4.340 local terms energy: -830.515536 where: bonds (distance) C4'-P energy: -131.533 bonds (distance) P-C4' energy: -177.808 flat angles C4'-P-C4' energy: -182.443 flat angles P-C4'-P energy: -131.163 tors. eta vs tors. theta energy: -207.569 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: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2471.915734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.915734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.915734 (E_RNA) where: Base-Base interactions energy: -1727.709 where: short stacking energy: -729.690 Base-Backbone interact. energy: -0.842 local terms energy: -743.364782 where: bonds (distance) C4'-P energy: -145.489 bonds (distance) P-C4' energy: -140.078 flat angles C4'-P-C4' energy: -176.001 flat angles P-C4'-P energy: -108.701 tors. eta vs tors. theta energy: -173.096 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: 1 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -2265.035380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.035380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.035380 (E_RNA) where: Base-Base interactions energy: -1556.914 where: short stacking energy: -673.575 Base-Backbone interact. energy: 1.854 local terms energy: -709.975809 where: bonds (distance) C4'-P energy: -149.913 bonds (distance) P-C4' energy: -151.889 flat angles C4'-P-C4' energy: -159.809 flat angles P-C4'-P energy: -97.749 tors. eta vs tors. theta energy: -150.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1910.162382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.162382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.162382 (E_RNA) where: Base-Base interactions energy: -1226.456 where: short stacking energy: -541.244 Base-Backbone interact. energy: -0.827 local terms energy: -682.878722 where: bonds (distance) C4'-P energy: -154.135 bonds (distance) P-C4' energy: -144.853 flat angles C4'-P-C4' energy: -167.947 flat angles P-C4'-P energy: -114.440 tors. eta vs tors. theta energy: -101.505 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: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1594.618373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.618373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.618373 (E_RNA) where: Base-Base interactions energy: -1000.512 where: short stacking energy: -481.682 Base-Backbone interact. energy: 2.062 local terms energy: -596.168193 where: bonds (distance) C4'-P energy: -133.291 bonds (distance) P-C4' energy: -141.292 flat angles C4'-P-C4' energy: -156.248 flat angles P-C4'-P energy: -97.147 tors. eta vs tors. theta energy: -68.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3490.045383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.045383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.045383 (E_RNA) where: Base-Base interactions energy: -2444.964 where: short stacking energy: -1041.977 Base-Backbone interact. energy: -6.080 local terms energy: -1039.001316 where: bonds (distance) C4'-P energy: -182.295 bonds (distance) P-C4' energy: -202.520 flat angles C4'-P-C4' energy: -209.070 flat angles P-C4'-P energy: -146.367 tors. eta vs tors. theta energy: -298.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3277.062816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.062816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.062816 (E_RNA) where: Base-Base interactions energy: -2310.707 where: short stacking energy: -935.007 Base-Backbone interact. energy: -8.486 local terms energy: -957.870703 where: bonds (distance) C4'-P energy: -170.993 bonds (distance) P-C4' energy: -176.138 flat angles C4'-P-C4' energy: -221.471 flat angles P-C4'-P energy: -129.828 tors. eta vs tors. theta energy: -259.441 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: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -3157.651808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.651808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.651808 (E_RNA) where: Base-Base interactions energy: -2210.873 where: short stacking energy: -951.648 Base-Backbone interact. energy: -4.806 local terms energy: -941.973605 where: bonds (distance) C4'-P energy: -166.936 bonds (distance) P-C4' energy: -180.493 flat angles C4'-P-C4' energy: -199.922 flat angles P-C4'-P energy: -130.888 tors. eta vs tors. theta energy: -263.734 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: 4, replica: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -3039.715598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.715598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.715598 (E_RNA) where: Base-Base interactions energy: -2178.824 where: short stacking energy: -901.020 Base-Backbone interact. energy: -5.648 local terms energy: -855.243923 where: bonds (distance) C4'-P energy: -157.056 bonds (distance) P-C4' energy: -152.905 flat angles C4'-P-C4' energy: -193.741 flat angles P-C4'-P energy: -126.263 tors. eta vs tors. theta energy: -225.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2933.054048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.054048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.054048 (E_RNA) where: Base-Base interactions energy: -2136.282 where: short stacking energy: -892.722 Base-Backbone interact. energy: 0.216 local terms energy: -796.987866 where: bonds (distance) C4'-P energy: -162.881 bonds (distance) P-C4' energy: -148.320 flat angles C4'-P-C4' energy: -174.188 flat angles P-C4'-P energy: -97.544 tors. eta vs tors. theta energy: -214.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2657.032442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.032442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.032442 (E_RNA) where: Base-Base interactions energy: -1860.777 where: short stacking energy: -785.689 Base-Backbone interact. energy: 0.383 local terms energy: -796.638671 where: bonds (distance) C4'-P energy: -134.352 bonds (distance) P-C4' energy: -159.470 flat angles C4'-P-C4' energy: -177.796 flat angles P-C4'-P energy: -119.251 tors. eta vs tors. theta energy: -205.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2511.521502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.521502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.521502 (E_RNA) where: Base-Base interactions energy: -1779.621 where: short stacking energy: -716.060 Base-Backbone interact. energy: 5.215 local terms energy: -737.116112 where: bonds (distance) C4'-P energy: -125.503 bonds (distance) P-C4' energy: -163.165 flat angles C4'-P-C4' energy: -189.152 flat angles P-C4'-P energy: -95.575 tors. eta vs tors. theta energy: -163.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -2257.675511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2257.675511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2257.675511 (E_RNA) where: Base-Base interactions energy: -1519.535 where: short stacking energy: -671.094 Base-Backbone interact. energy: 1.813 local terms energy: -739.954028 where: bonds (distance) C4'-P energy: -160.368 bonds (distance) P-C4' energy: -141.329 flat angles C4'-P-C4' energy: -181.473 flat angles P-C4'-P energy: -97.656 tors. eta vs tors. theta energy: -159.128 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: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1915.118787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.118787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.118787 (E_RNA) where: Base-Base interactions energy: -1238.990 where: short stacking energy: -526.968 Base-Backbone interact. energy: -3.700 local terms energy: -672.428362 where: bonds (distance) C4'-P energy: -150.211 bonds (distance) P-C4' energy: -143.683 flat angles C4'-P-C4' energy: -168.447 flat angles P-C4'-P energy: -123.431 tors. eta vs tors. theta energy: -86.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1529.895996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.895996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.895996 (E_RNA) where: Base-Base interactions energy: -930.188 where: short stacking energy: -427.292 Base-Backbone interact. energy: 3.410 local terms energy: -603.117614 where: bonds (distance) C4'-P energy: -154.458 bonds (distance) P-C4' energy: -171.033 flat angles C4'-P-C4' energy: -129.976 flat angles P-C4'-P energy: -89.910 tors. eta vs tors. theta energy: -57.740 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: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3479.621738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.621738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.621738 (E_RNA) where: Base-Base interactions energy: -2473.584 where: short stacking energy: -1054.863 Base-Backbone interact. energy: -4.795 local terms energy: -1001.243680 where: bonds (distance) C4'-P energy: -186.427 bonds (distance) P-C4' energy: -174.168 flat angles C4'-P-C4' energy: -202.917 flat angles P-C4'-P energy: -143.803 tors. eta vs tors. theta energy: -293.928 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: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3301.623700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.623700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.623700 (E_RNA) where: Base-Base interactions energy: -2352.541 where: short stacking energy: -969.524 Base-Backbone interact. energy: 8.538 local terms energy: -957.621067 where: bonds (distance) C4'-P energy: -175.508 bonds (distance) P-C4' energy: -188.537 flat angles C4'-P-C4' energy: -202.654 flat angles P-C4'-P energy: -138.837 tors. eta vs tors. theta energy: -252.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -3163.031097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.031097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.031097 (E_RNA) where: Base-Base interactions energy: -2212.534 where: short stacking energy: -960.181 Base-Backbone interact. energy: -4.128 local terms energy: -946.368874 where: bonds (distance) C4'-P energy: -164.968 bonds (distance) P-C4' energy: -186.119 flat angles C4'-P-C4' energy: -195.659 flat angles P-C4'-P energy: -131.216 tors. eta vs tors. theta energy: -268.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -3052.055685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.055685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.055685 (E_RNA) where: Base-Base interactions energy: -2151.192 where: short stacking energy: -895.900 Base-Backbone interact. energy: -0.890 local terms energy: -899.973747 where: bonds (distance) C4'-P energy: -150.291 bonds (distance) P-C4' energy: -181.271 flat angles C4'-P-C4' energy: -196.200 flat angles P-C4'-P energy: -138.603 tors. eta vs tors. theta energy: -233.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2943.280645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.280645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.280645 (E_RNA) where: Base-Base interactions energy: -2083.777 where: short stacking energy: -879.488 Base-Backbone interact. energy: 1.580 local terms energy: -861.083194 where: bonds (distance) C4'-P energy: -152.058 bonds (distance) P-C4' energy: -175.085 flat angles C4'-P-C4' energy: -190.225 flat angles P-C4'-P energy: -123.656 tors. eta vs tors. theta energy: -220.059 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: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2722.184994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.184994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.184994 (E_RNA) where: Base-Base interactions energy: -1865.625 where: short stacking energy: -817.871 Base-Backbone interact. energy: -1.167 local terms energy: -855.393533 where: bonds (distance) C4'-P energy: -170.157 bonds (distance) P-C4' energy: -156.969 flat angles C4'-P-C4' energy: -185.385 flat angles P-C4'-P energy: -123.022 tors. eta vs tors. theta energy: -219.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2611.888853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.888853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.888853 (E_RNA) where: Base-Base interactions energy: -1813.976 where: short stacking energy: -778.436 Base-Backbone interact. energy: -3.814 local terms energy: -794.098892 where: bonds (distance) C4'-P energy: -147.163 bonds (distance) P-C4' energy: -153.851 flat angles C4'-P-C4' energy: -165.703 flat angles P-C4'-P energy: -104.631 tors. eta vs tors. theta energy: -222.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -2251.959399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2251.959399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2251.959399 (E_RNA) where: Base-Base interactions energy: -1550.469 where: short stacking energy: -702.677 Base-Backbone interact. energy: 3.551 local terms energy: -705.041391 where: bonds (distance) C4'-P energy: -129.076 bonds (distance) P-C4' energy: -154.221 flat angles C4'-P-C4' energy: -149.988 flat angles P-C4'-P energy: -102.028 tors. eta vs tors. theta energy: -169.728 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: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1962.229578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.229578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.229578 (E_RNA) where: Base-Base interactions energy: -1296.394 where: short stacking energy: -565.862 Base-Backbone interact. energy: 3.196 local terms energy: -669.031700 where: bonds (distance) C4'-P energy: -145.903 bonds (distance) P-C4' energy: -153.022 flat angles C4'-P-C4' energy: -152.331 flat angles P-C4'-P energy: -107.912 tors. eta vs tors. theta energy: -109.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1506.956380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.956380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.956380 (E_RNA) where: Base-Base interactions energy: -971.588 where: short stacking energy: -444.214 Base-Backbone interact. energy: -0.515 local terms energy: -534.853408 where: bonds (distance) C4'-P energy: -121.282 bonds (distance) P-C4' energy: -130.396 flat angles C4'-P-C4' energy: -138.406 flat angles P-C4'-P energy: -82.202 tors. eta vs tors. theta energy: -62.568 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3515.251102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3515.251102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3515.251102 (E_RNA) where: Base-Base interactions energy: -2510.032 where: short stacking energy: -1062.148 Base-Backbone interact. energy: -3.000 local terms energy: -1002.218524 where: bonds (distance) C4'-P energy: -168.071 bonds (distance) P-C4' energy: -185.109 flat angles C4'-P-C4' energy: -213.689 flat angles P-C4'-P energy: -138.658 tors. eta vs tors. theta energy: -296.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3323.999722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.999722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.999722 (E_RNA) where: Base-Base interactions energy: -2336.524 where: short stacking energy: -959.167 Base-Backbone interact. energy: -3.422 local terms energy: -984.053105 where: bonds (distance) C4'-P energy: -175.755 bonds (distance) P-C4' energy: -177.368 flat angles C4'-P-C4' energy: -215.507 flat angles P-C4'-P energy: -154.615 tors. eta vs tors. theta energy: -260.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -3150.034153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.034153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.034153 (E_RNA) where: Base-Base interactions energy: -2218.596 where: short stacking energy: -957.161 Base-Backbone interact. energy: -0.146 local terms energy: -931.291781 where: bonds (distance) C4'-P energy: -163.689 bonds (distance) P-C4' energy: -191.687 flat angles C4'-P-C4' energy: -198.879 flat angles P-C4'-P energy: -132.226 tors. eta vs tors. theta energy: -244.810 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: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -3048.802940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.802940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.802940 (E_RNA) where: Base-Base interactions energy: -2168.311 where: short stacking energy: -884.304 Base-Backbone interact. energy: -2.820 local terms energy: -877.672602 where: bonds (distance) C4'-P energy: -156.828 bonds (distance) P-C4' energy: -174.002 flat angles C4'-P-C4' energy: -196.150 flat angles P-C4'-P energy: -133.964 tors. eta vs tors. theta energy: -216.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2914.076979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.076979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.076979 (E_RNA) where: Base-Base interactions energy: -2082.208 where: short stacking energy: -865.924 Base-Backbone interact. energy: -3.057 local terms energy: -828.812505 where: bonds (distance) C4'-P energy: -168.615 bonds (distance) P-C4' energy: -159.880 flat angles C4'-P-C4' energy: -185.475 flat angles P-C4'-P energy: -96.004 tors. eta vs tors. theta energy: -218.840 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: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2726.248571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.248571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.248571 (E_RNA) where: Base-Base interactions energy: -1908.121 where: short stacking energy: -765.993 Base-Backbone interact. energy: -0.377 local terms energy: -817.751244 where: bonds (distance) C4'-P energy: -156.321 bonds (distance) P-C4' energy: -168.636 flat angles C4'-P-C4' energy: -174.005 flat angles P-C4'-P energy: -120.188 tors. eta vs tors. theta energy: -198.602 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: 411 Temperature: 1.200000 Total energy: -2625.940831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.940831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.940831 (E_RNA) where: Base-Base interactions energy: -1874.435 where: short stacking energy: -758.677 Base-Backbone interact. energy: 0.413 local terms energy: -751.919023 where: bonds (distance) C4'-P energy: -143.619 bonds (distance) P-C4' energy: -153.213 flat angles C4'-P-C4' energy: -164.280 flat angles P-C4'-P energy: -99.441 tors. eta vs tors. theta energy: -191.366 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: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -2235.047407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.047407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.047407 (E_RNA) where: Base-Base interactions energy: -1535.011 where: short stacking energy: -635.592 Base-Backbone interact. energy: 1.201 local terms energy: -701.237530 where: bonds (distance) C4'-P energy: -141.176 bonds (distance) P-C4' energy: -174.515 flat angles C4'-P-C4' energy: -155.771 flat angles P-C4'-P energy: -92.834 tors. eta vs tors. theta energy: -136.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1993.634654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.634654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.634654 (E_RNA) where: Base-Base interactions energy: -1344.049 where: short stacking energy: -557.594 Base-Backbone interact. energy: 0.109 local terms energy: -649.695610 where: bonds (distance) C4'-P energy: -149.096 bonds (distance) P-C4' energy: -141.139 flat angles C4'-P-C4' energy: -160.403 flat angles P-C4'-P energy: -89.748 tors. eta vs tors. theta energy: -109.310 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: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1595.605964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.605964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.605964 (E_RNA) where: Base-Base interactions energy: -1048.101 where: short stacking energy: -485.711 Base-Backbone interact. energy: 4.408 local terms energy: -551.912275 where: bonds (distance) C4'-P energy: -115.906 bonds (distance) P-C4' energy: -160.997 flat angles C4'-P-C4' energy: -140.707 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -66.256 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: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3489.961419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3489.961419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3489.961419 (E_RNA) where: Base-Base interactions energy: -2457.516 where: short stacking energy: -1054.843 Base-Backbone interact. energy: -5.956 local terms energy: -1026.489359 where: bonds (distance) C4'-P energy: -201.731 bonds (distance) P-C4' energy: -181.285 flat angles C4'-P-C4' energy: -209.221 flat angles P-C4'-P energy: -149.307 tors. eta vs tors. theta energy: -284.945 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: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3315.781035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.781035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.781035 (E_RNA) where: Base-Base interactions energy: -2373.742 where: short stacking energy: -982.501 Base-Backbone interact. energy: -4.029 local terms energy: -938.010635 where: bonds (distance) C4'-P energy: -165.176 bonds (distance) P-C4' energy: -163.319 flat angles C4'-P-C4' energy: -205.215 flat angles P-C4'-P energy: -131.471 tors. eta vs tors. theta energy: -272.830 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: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -3167.180086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.180086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.180086 (E_RNA) where: Base-Base interactions energy: -2230.711 where: short stacking energy: -958.874 Base-Backbone interact. energy: -4.739 local terms energy: -931.729264 where: bonds (distance) C4'-P energy: -172.840 bonds (distance) P-C4' energy: -166.908 flat angles C4'-P-C4' energy: -203.319 flat angles P-C4'-P energy: -126.641 tors. eta vs tors. theta energy: -262.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -3025.558238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.558238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.558238 (E_RNA) where: Base-Base interactions energy: -2132.580 where: short stacking energy: -889.680 Base-Backbone interact. energy: -5.163 local terms energy: -887.814808 where: bonds (distance) C4'-P energy: -148.677 bonds (distance) P-C4' energy: -172.647 flat angles C4'-P-C4' energy: -199.957 flat angles P-C4'-P energy: -135.983 tors. eta vs tors. theta energy: -230.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -2974.687101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.687101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.687101 (E_RNA) where: Base-Base interactions energy: -2097.599 where: short stacking energy: -866.528 Base-Backbone interact. energy: 3.913 local terms energy: -881.001041 where: bonds (distance) C4'-P energy: -171.228 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -200.642 flat angles P-C4'-P energy: -117.520 tors. eta vs tors. theta energy: -234.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2717.739809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.739809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.739809 (E_RNA) where: Base-Base interactions energy: -1879.750 where: short stacking energy: -783.085 Base-Backbone interact. energy: 1.744 local terms energy: -839.734086 where: bonds (distance) C4'-P energy: -158.717 bonds (distance) P-C4' energy: -176.055 flat angles C4'-P-C4' energy: -185.421 flat angles P-C4'-P energy: -117.875 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: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2651.172676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.172676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.172676 (E_RNA) where: Base-Base interactions energy: -1867.865 where: short stacking energy: -809.759 Base-Backbone interact. energy: -1.551 local terms energy: -781.755923 where: bonds (distance) C4'-P energy: -142.712 bonds (distance) P-C4' energy: -169.000 flat angles C4'-P-C4' energy: -167.132 flat angles P-C4'-P energy: -102.192 tors. eta vs tors. theta energy: -200.719 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: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -2327.281812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.281812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.281812 (E_RNA) where: Base-Base interactions energy: -1595.198 where: short stacking energy: -707.144 Base-Backbone interact. energy: -2.432 local terms energy: -729.652052 where: bonds (distance) C4'-P energy: -144.318 bonds (distance) P-C4' energy: -184.801 flat angles C4'-P-C4' energy: -167.645 flat angles P-C4'-P energy: -71.565 tors. eta vs tors. theta energy: -161.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -2027.879371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.879371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.879371 (E_RNA) where: Base-Base interactions energy: -1366.753 where: short stacking energy: -598.836 Base-Backbone interact. energy: -3.975 local terms energy: -657.150678 where: bonds (distance) C4'-P energy: -136.050 bonds (distance) P-C4' energy: -158.378 flat angles C4'-P-C4' energy: -151.540 flat angles P-C4'-P energy: -87.780 tors. eta vs tors. theta energy: -123.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1602.021421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.021421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.021421 (E_RNA) where: Base-Base interactions energy: -1045.568 where: short stacking energy: -446.498 Base-Backbone interact. energy: 6.775 local terms energy: -563.228269 where: bonds (distance) C4'-P energy: -133.615 bonds (distance) P-C4' energy: -135.142 flat angles C4'-P-C4' energy: -154.544 flat angles P-C4'-P energy: -83.648 tors. eta vs tors. theta energy: -56.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3477.271456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.271456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.271456 (E_RNA) where: Base-Base interactions energy: -2444.582 where: short stacking energy: -1039.065 Base-Backbone interact. energy: -4.982 local terms energy: -1027.708221 where: bonds (distance) C4'-P energy: -186.066 bonds (distance) P-C4' energy: -178.087 flat angles C4'-P-C4' energy: -209.351 flat angles P-C4'-P energy: -155.638 tors. eta vs tors. theta energy: -298.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3300.734206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.734206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.734206 (E_RNA) where: Base-Base interactions energy: -2341.991 where: short stacking energy: -949.135 Base-Backbone interact. energy: -8.183 local terms energy: -950.559496 where: bonds (distance) C4'-P energy: -182.013 bonds (distance) P-C4' energy: -155.324 flat angles C4'-P-C4' energy: -199.221 flat angles P-C4'-P energy: -145.239 tors. eta vs tors. theta energy: -268.763 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: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -3163.499584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3163.499584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3163.499584 (E_RNA) where: Base-Base interactions energy: -2226.556 where: short stacking energy: -958.435 Base-Backbone interact. energy: -4.420 local terms energy: -932.523530 where: bonds (distance) C4'-P energy: -175.485 bonds (distance) P-C4' energy: -168.092 flat angles C4'-P-C4' energy: -195.288 flat angles P-C4'-P energy: -131.659 tors. eta vs tors. theta energy: -262.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -3063.008274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.008274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.008274 (E_RNA) where: Base-Base interactions energy: -2138.015 where: short stacking energy: -881.737 Base-Backbone interact. energy: -3.922 local terms energy: -921.071307 where: bonds (distance) C4'-P energy: -163.854 bonds (distance) P-C4' energy: -181.293 flat angles C4'-P-C4' energy: -196.541 flat angles P-C4'-P energy: -147.317 tors. eta vs tors. theta energy: -232.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2922.976679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.976679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.976679 (E_RNA) where: Base-Base interactions energy: -2076.495 where: short stacking energy: -896.471 Base-Backbone interact. energy: 6.244 local terms energy: -852.725842 where: bonds (distance) C4'-P energy: -161.994 bonds (distance) P-C4' energy: -164.973 flat angles C4'-P-C4' energy: -186.964 flat angles P-C4'-P energy: -111.849 tors. eta vs tors. theta energy: -226.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2693.905719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.905719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.905719 (E_RNA) where: Base-Base interactions energy: -1902.413 where: short stacking energy: -804.606 Base-Backbone interact. energy: -1.233 local terms energy: -790.259330 where: bonds (distance) C4'-P energy: -145.480 bonds (distance) P-C4' energy: -169.683 flat angles C4'-P-C4' energy: -176.895 flat angles P-C4'-P energy: -96.653 tors. eta vs tors. theta energy: -201.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2605.605068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.605068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.605068 (E_RNA) where: Base-Base interactions energy: -1819.578 where: short stacking energy: -787.697 Base-Backbone interact. energy: -2.890 local terms energy: -783.136719 where: bonds (distance) C4'-P energy: -140.737 bonds (distance) P-C4' energy: -155.441 flat angles C4'-P-C4' energy: -167.753 flat angles P-C4'-P energy: -124.029 tors. eta vs tors. theta energy: -195.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2229.406657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.406657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.406657 (E_RNA) where: Base-Base interactions energy: -1547.478 where: short stacking energy: -671.609 Base-Backbone interact. energy: 2.172 local terms energy: -684.100862 where: bonds (distance) C4'-P energy: -139.508 bonds (distance) P-C4' energy: -141.315 flat angles C4'-P-C4' energy: -188.181 flat angles P-C4'-P energy: -71.561 tors. eta vs tors. theta energy: -143.535 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: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1929.700929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.700929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.700929 (E_RNA) where: Base-Base interactions energy: -1264.518 where: short stacking energy: -546.105 Base-Backbone interact. energy: 5.028 local terms energy: -670.209975 where: bonds (distance) C4'-P energy: -163.684 bonds (distance) P-C4' energy: -152.690 flat angles C4'-P-C4' energy: -143.003 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -118.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1627.887025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.887025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.887025 (E_RNA) where: Base-Base interactions energy: -1047.272 where: short stacking energy: -481.724 Base-Backbone interact. energy: 4.048 local terms energy: -584.662399 where: bonds (distance) C4'-P energy: -136.989 bonds (distance) P-C4' energy: -148.041 flat angles C4'-P-C4' energy: -148.466 flat angles P-C4'-P energy: -84.078 tors. eta vs tors. theta energy: -67.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3494.380224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3494.380224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3494.380224 (E_RNA) where: Base-Base interactions energy: -2471.062 where: short stacking energy: -1055.044 Base-Backbone interact. energy: -7.923 local terms energy: -1015.395931 where: bonds (distance) C4'-P energy: -170.525 bonds (distance) P-C4' energy: -184.464 flat angles C4'-P-C4' energy: -218.625 flat angles P-C4'-P energy: -147.412 tors. eta vs tors. theta energy: -294.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3285.241236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.241236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.241236 (E_RNA) where: Base-Base interactions energy: -2343.436 where: short stacking energy: -933.310 Base-Backbone interact. energy: -1.885 local terms energy: -939.920389 where: bonds (distance) C4'-P energy: -178.141 bonds (distance) P-C4' energy: -162.763 flat angles C4'-P-C4' energy: -215.112 flat angles P-C4'-P energy: -138.764 tors. eta vs tors. theta energy: -245.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -3144.490096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.490096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.490096 (E_RNA) where: Base-Base interactions energy: -2207.178 where: short stacking energy: -975.972 Base-Backbone interact. energy: -4.852 local terms energy: -932.460258 where: bonds (distance) C4'-P energy: -165.769 bonds (distance) P-C4' energy: -178.617 flat angles C4'-P-C4' energy: -205.050 flat angles P-C4'-P energy: -129.871 tors. eta vs tors. theta energy: -253.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -3013.906156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.906156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.906156 (E_RNA) where: Base-Base interactions energy: -2159.302 where: short stacking energy: -896.255 Base-Backbone interact. energy: -3.666 local terms energy: -850.938814 where: bonds (distance) C4'-P energy: -156.117 bonds (distance) P-C4' energy: -145.133 flat angles C4'-P-C4' energy: -201.999 flat angles P-C4'-P energy: -115.366 tors. eta vs tors. theta energy: -232.323 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: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2954.508700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.508700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.508700 (E_RNA) where: Base-Base interactions energy: -2122.400 where: short stacking energy: -873.326 Base-Backbone interact. energy: -2.911 local terms energy: -829.197695 where: bonds (distance) C4'-P energy: -145.860 bonds (distance) P-C4' energy: -154.116 flat angles C4'-P-C4' energy: -174.434 flat angles P-C4'-P energy: -123.633 tors. eta vs tors. theta energy: -231.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2750.086199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.086199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.086199 (E_RNA) where: Base-Base interactions energy: -1951.751 where: short stacking energy: -807.213 Base-Backbone interact. energy: -5.986 local terms energy: -792.349280 where: bonds (distance) C4'-P energy: -158.264 bonds (distance) P-C4' energy: -140.371 flat angles C4'-P-C4' energy: -165.255 flat angles P-C4'-P energy: -128.022 tors. eta vs tors. theta energy: -200.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2613.493942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.493942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.493942 (E_RNA) where: Base-Base interactions energy: -1803.026 where: short stacking energy: -819.888 Base-Backbone interact. energy: -1.798 local terms energy: -808.670159 where: bonds (distance) C4'-P energy: -172.082 bonds (distance) P-C4' energy: -154.737 flat angles C4'-P-C4' energy: -166.047 flat angles P-C4'-P energy: -96.182 tors. eta vs tors. theta energy: -219.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -2274.108902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.108902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.108902 (E_RNA) where: Base-Base interactions energy: -1541.767 where: short stacking energy: -671.632 Base-Backbone interact. energy: -1.411 local terms energy: -730.930821 where: bonds (distance) C4'-P energy: -155.486 bonds (distance) P-C4' energy: -142.148 flat angles C4'-P-C4' energy: -167.113 flat angles P-C4'-P energy: -113.691 tors. eta vs tors. theta energy: -152.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1885.574941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.574941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.574941 (E_RNA) where: Base-Base interactions energy: -1220.999 where: short stacking energy: -541.632 Base-Backbone interact. energy: 0.141 local terms energy: -664.716709 where: bonds (distance) C4'-P energy: -136.938 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -166.749 flat angles P-C4'-P energy: -94.700 tors. eta vs tors. theta energy: -106.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1549.236746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.236746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.236746 (E_RNA) where: Base-Base interactions energy: -970.517 where: short stacking energy: -458.808 Base-Backbone interact. energy: -4.519 local terms energy: -574.200476 where: bonds (distance) C4'-P energy: -154.716 bonds (distance) P-C4' energy: -155.421 flat angles C4'-P-C4' energy: -153.039 flat angles P-C4'-P energy: -51.576 tors. eta vs tors. theta energy: -59.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3475.845280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3475.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3475.845280 (E_RNA) where: Base-Base interactions energy: -2448.183 where: short stacking energy: -1077.141 Base-Backbone interact. energy: -3.185 local terms energy: -1024.476787 where: bonds (distance) C4'-P energy: -184.208 bonds (distance) P-C4' energy: -186.392 flat angles C4'-P-C4' energy: -215.557 flat angles P-C4'-P energy: -137.731 tors. eta vs tors. theta energy: -300.589 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: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3292.964599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.964599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.964599 (E_RNA) where: Base-Base interactions energy: -2346.560 where: short stacking energy: -934.866 Base-Backbone interact. energy: 3.195 local terms energy: -949.599380 where: bonds (distance) C4'-P energy: -172.891 bonds (distance) P-C4' energy: -177.059 flat angles C4'-P-C4' energy: -209.111 flat angles P-C4'-P energy: -132.389 tors. eta vs tors. theta energy: -258.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -3136.620585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.620585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.620585 (E_RNA) where: Base-Base interactions energy: -2206.132 where: short stacking energy: -982.822 Base-Backbone interact. energy: -4.007 local terms energy: -926.482369 where: bonds (distance) C4'-P energy: -168.083 bonds (distance) P-C4' energy: -181.280 flat angles C4'-P-C4' energy: -194.202 flat angles P-C4'-P energy: -125.563 tors. eta vs tors. theta energy: -257.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -3020.791700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.791700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.791700 (E_RNA) where: Base-Base interactions energy: -2142.250 where: short stacking energy: -840.452 Base-Backbone interact. energy: 0.203 local terms energy: -878.744485 where: bonds (distance) C4'-P energy: -171.003 bonds (distance) P-C4' energy: -165.648 flat angles C4'-P-C4' energy: -185.027 flat angles P-C4'-P energy: -132.789 tors. eta vs tors. theta energy: -224.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2931.245143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.245143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.245143 (E_RNA) where: Base-Base interactions energy: -2070.339 where: short stacking energy: -832.173 Base-Backbone interact. energy: -0.646 local terms energy: -860.259357 where: bonds (distance) C4'-P energy: -159.676 bonds (distance) P-C4' energy: -181.319 flat angles C4'-P-C4' energy: -188.219 flat angles P-C4'-P energy: -116.189 tors. eta vs tors. theta energy: -214.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2687.254538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.254538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.254538 (E_RNA) where: Base-Base interactions energy: -1906.260 where: short stacking energy: -779.855 Base-Backbone interact. energy: 0.015 local terms energy: -781.008854 where: bonds (distance) C4'-P energy: -138.805 bonds (distance) P-C4' energy: -153.974 flat angles C4'-P-C4' energy: -176.375 flat angles P-C4'-P energy: -109.922 tors. eta vs tors. theta energy: -201.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2568.009111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.009111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.009111 (E_RNA) where: Base-Base interactions energy: -1797.124 where: short stacking energy: -765.683 Base-Backbone interact. energy: 0.454 local terms energy: -771.338816 where: bonds (distance) C4'-P energy: -150.095 bonds (distance) P-C4' energy: -157.666 flat angles C4'-P-C4' energy: -170.428 flat angles P-C4'-P energy: -94.042 tors. eta vs tors. theta energy: -199.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -2353.275962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.275962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.275962 (E_RNA) where: Base-Base interactions energy: -1654.509 where: short stacking energy: -715.919 Base-Backbone interact. energy: 7.319 local terms energy: -706.085836 where: bonds (distance) C4'-P energy: -123.576 bonds (distance) P-C4' energy: -153.059 flat angles C4'-P-C4' energy: -156.257 flat angles P-C4'-P energy: -98.972 tors. eta vs tors. theta energy: -174.221 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: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1868.145658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.145658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.145658 (E_RNA) where: Base-Base interactions energy: -1246.575 where: short stacking energy: -542.202 Base-Backbone interact. energy: -1.554 local terms energy: -620.017079 where: bonds (distance) C4'-P energy: -133.215 bonds (distance) P-C4' energy: -138.118 flat angles C4'-P-C4' energy: -157.775 flat angles P-C4'-P energy: -90.748 tors. eta vs tors. theta energy: -100.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1517.872392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.872392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.872392 (E_RNA) where: Base-Base interactions energy: -968.961 where: short stacking energy: -432.814 Base-Backbone interact. energy: -4.159 local terms energy: -544.751868 where: bonds (distance) C4'-P energy: -135.319 bonds (distance) P-C4' energy: -139.638 flat angles C4'-P-C4' energy: -136.299 flat angles P-C4'-P energy: -85.055 tors. eta vs tors. theta energy: -48.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3499.159446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3499.159446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3499.159446 (E_RNA) where: Base-Base interactions energy: -2458.543 where: short stacking energy: -1073.329 Base-Backbone interact. energy: -5.055 local terms energy: -1035.561015 where: bonds (distance) C4'-P energy: -180.835 bonds (distance) P-C4' energy: -198.844 flat angles C4'-P-C4' energy: -208.062 flat angles P-C4'-P energy: -143.685 tors. eta vs tors. theta energy: -304.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3339.586329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.586329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.586329 (E_RNA) where: Base-Base interactions energy: -2351.757 where: short stacking energy: -962.371 Base-Backbone interact. energy: -8.582 local terms energy: -979.247659 where: bonds (distance) C4'-P energy: -162.784 bonds (distance) P-C4' energy: -182.652 flat angles C4'-P-C4' energy: -222.027 flat angles P-C4'-P energy: -149.408 tors. eta vs tors. theta energy: -262.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -3140.664624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.664624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.664624 (E_RNA) where: Base-Base interactions energy: -2196.801 where: short stacking energy: -950.988 Base-Backbone interact. energy: -4.394 local terms energy: -939.469293 where: bonds (distance) C4'-P energy: -176.617 bonds (distance) P-C4' energy: -178.657 flat angles C4'-P-C4' energy: -205.641 flat angles P-C4'-P energy: -118.742 tors. eta vs tors. theta energy: -259.813 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: 4, replica: 7 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -3041.234407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3041.234407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3041.234407 (E_RNA) where: Base-Base interactions energy: -2116.778 where: short stacking energy: -873.712 Base-Backbone interact. energy: -3.097 local terms energy: -921.359486 where: bonds (distance) C4'-P energy: -164.970 bonds (distance) P-C4' energy: -180.001 flat angles C4'-P-C4' energy: -199.868 flat angles P-C4'-P energy: -142.896 tors. eta vs tors. theta energy: -233.626 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: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2897.058975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.058975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.058975 (E_RNA) where: Base-Base interactions energy: -2083.252 where: short stacking energy: -851.489 Base-Backbone interact. energy: -2.832 local terms energy: -810.975666 where: bonds (distance) C4'-P energy: -154.276 bonds (distance) P-C4' energy: -138.554 flat angles C4'-P-C4' energy: -195.242 flat angles P-C4'-P energy: -111.266 tors. eta vs tors. theta energy: -211.639 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: 6, replica: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2671.198481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.198481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.198481 (E_RNA) where: Base-Base interactions energy: -1861.370 where: short stacking energy: -828.275 Base-Backbone interact. energy: -4.629 local terms energy: -805.199308 where: bonds (distance) C4'-P energy: -144.411 bonds (distance) P-C4' energy: -155.683 flat angles C4'-P-C4' energy: -195.982 flat angles P-C4'-P energy: -96.258 tors. eta vs tors. theta energy: -212.865 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: 8 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2582.442717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.442717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.442717 (E_RNA) where: Base-Base interactions energy: -1822.198 where: short stacking energy: -785.708 Base-Backbone interact. energy: -1.655 local terms energy: -758.589700 where: bonds (distance) C4'-P energy: -116.840 bonds (distance) P-C4' energy: -163.633 flat angles C4'-P-C4' energy: -169.116 flat angles P-C4'-P energy: -108.482 tors. eta vs tors. theta energy: -200.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -2335.175266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.175266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.175266 (E_RNA) where: Base-Base interactions energy: -1589.814 where: short stacking energy: -726.374 Base-Backbone interact. energy: -0.707 local terms energy: -744.654749 where: bonds (distance) C4'-P energy: -131.311 bonds (distance) P-C4' energy: -148.092 flat angles C4'-P-C4' energy: -170.155 flat angles P-C4'-P energy: -123.475 tors. eta vs tors. theta energy: -171.622 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: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1884.640484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.640484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.640484 (E_RNA) where: Base-Base interactions energy: -1242.377 where: short stacking energy: -537.690 Base-Backbone interact. energy: -1.863 local terms energy: -640.400596 where: bonds (distance) C4'-P energy: -146.468 bonds (distance) P-C4' energy: -166.813 flat angles C4'-P-C4' energy: -147.298 flat angles P-C4'-P energy: -88.882 tors. eta vs tors. theta energy: -90.939 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: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1493.043909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.043909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.043909 (E_RNA) where: Base-Base interactions energy: -895.035 where: short stacking energy: -426.010 Base-Backbone interact. energy: 0.355 local terms energy: -598.363967 where: bonds (distance) C4'-P energy: -148.377 bonds (distance) P-C4' energy: -148.496 flat angles C4'-P-C4' energy: -161.058 flat angles P-C4'-P energy: -85.641 tors. eta vs tors. theta energy: -54.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3461.386549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.386549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.386549 (E_RNA) where: Base-Base interactions energy: -2474.046 where: short stacking energy: -1056.964 Base-Backbone interact. energy: -3.163 local terms energy: -984.177584 where: bonds (distance) C4'-P energy: -163.640 bonds (distance) P-C4' energy: -185.092 flat angles C4'-P-C4' energy: -207.663 flat angles P-C4'-P energy: -138.809 tors. eta vs tors. theta energy: -288.974 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: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3329.413354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.413354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.413354 (E_RNA) where: Base-Base interactions energy: -2352.827 where: short stacking energy: -939.093 Base-Backbone interact. energy: -4.430 local terms energy: -972.155990 where: bonds (distance) C4'-P energy: -184.797 bonds (distance) P-C4' energy: -176.245 flat angles C4'-P-C4' energy: -201.657 flat angles P-C4'-P energy: -154.018 tors. eta vs tors. theta energy: -255.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -3156.110909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.110909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.110909 (E_RNA) where: Base-Base interactions energy: -2212.970 where: short stacking energy: -999.119 Base-Backbone interact. energy: -0.155 local terms energy: -942.985811 where: bonds (distance) C4'-P energy: -188.473 bonds (distance) P-C4' energy: -160.062 flat angles C4'-P-C4' energy: -200.695 flat angles P-C4'-P energy: -134.778 tors. eta vs tors. theta energy: -258.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -3009.327892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.327892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.327892 (E_RNA) where: Base-Base interactions energy: -2131.379 where: short stacking energy: -883.450 Base-Backbone interact. energy: -2.772 local terms energy: -875.176473 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -159.417 flat angles C4'-P-C4' energy: -193.457 flat angles P-C4'-P energy: -132.723 tors. eta vs tors. theta energy: -225.699 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: 417 Temperature: 1.100000 Total energy: -2886.285272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.285272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.285272 (E_RNA) where: Base-Base interactions energy: -2047.317 where: short stacking energy: -846.400 Base-Backbone interact. energy: -1.473 local terms energy: -837.495353 where: bonds (distance) C4'-P energy: -154.317 bonds (distance) P-C4' energy: -160.936 flat angles C4'-P-C4' energy: -196.451 flat angles P-C4'-P energy: -111.323 tors. eta vs tors. theta energy: -214.468 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: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2687.510804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.510804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.510804 (E_RNA) where: Base-Base interactions energy: -1899.642 where: short stacking energy: -793.933 Base-Backbone interact. energy: -1.357 local terms energy: -786.511940 where: bonds (distance) C4'-P energy: -127.607 bonds (distance) P-C4' energy: -161.547 flat angles C4'-P-C4' energy: -175.303 flat angles P-C4'-P energy: -117.174 tors. eta vs tors. theta energy: -204.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2589.685183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.685183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.685183 (E_RNA) where: Base-Base interactions energy: -1786.286 where: short stacking energy: -787.217 Base-Backbone interact. energy: -2.155 local terms energy: -801.243696 where: bonds (distance) C4'-P energy: -154.842 bonds (distance) P-C4' energy: -145.899 flat angles C4'-P-C4' energy: -185.546 flat angles P-C4'-P energy: -99.255 tors. eta vs tors. theta energy: -215.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2298.196138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.196138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.196138 (E_RNA) where: Base-Base interactions energy: -1614.508 where: short stacking energy: -704.899 Base-Backbone interact. energy: 1.641 local terms energy: -685.328156 where: bonds (distance) C4'-P energy: -122.082 bonds (distance) P-C4' energy: -145.707 flat angles C4'-P-C4' energy: -153.601 flat angles P-C4'-P energy: -88.644 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: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1915.120869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.120869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.120869 (E_RNA) where: Base-Base interactions energy: -1256.697 where: short stacking energy: -567.921 Base-Backbone interact. energy: -4.571 local terms energy: -653.852949 where: bonds (distance) C4'-P energy: -154.877 bonds (distance) P-C4' energy: -152.655 flat angles C4'-P-C4' energy: -141.581 flat angles P-C4'-P energy: -94.781 tors. eta vs tors. theta energy: -109.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1497.139140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.139140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.139140 (E_RNA) where: Base-Base interactions energy: -987.240 where: short stacking energy: -451.919 Base-Backbone interact. energy: -1.199 local terms energy: -508.700154 where: bonds (distance) C4'-P energy: -124.485 bonds (distance) P-C4' energy: -123.112 flat angles C4'-P-C4' energy: -113.826 flat angles P-C4'-P energy: -83.947 tors. eta vs tors. theta energy: -63.331 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: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3463.351618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3463.351618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3463.351618 (E_RNA) where: Base-Base interactions energy: -2472.089 where: short stacking energy: -1044.987 Base-Backbone interact. energy: 5.489 local terms energy: -996.751642 where: bonds (distance) C4'-P energy: -175.546 bonds (distance) P-C4' energy: -188.156 flat angles C4'-P-C4' energy: -208.217 flat angles P-C4'-P energy: -146.364 tors. eta vs tors. theta energy: -278.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3347.948326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.948326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.948326 (E_RNA) where: Base-Base interactions energy: -2384.933 where: short stacking energy: -969.691 Base-Backbone interact. energy: -6.615 local terms energy: -956.400275 where: bonds (distance) C4'-P energy: -169.972 bonds (distance) P-C4' energy: -181.639 flat angles C4'-P-C4' energy: -209.289 flat angles P-C4'-P energy: -129.607 tors. eta vs tors. theta energy: -265.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -3153.816741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.816741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.816741 (E_RNA) where: Base-Base interactions energy: -2228.510 where: short stacking energy: -991.322 Base-Backbone interact. energy: -2.660 local terms energy: -922.646599 where: bonds (distance) C4'-P energy: -163.945 bonds (distance) P-C4' energy: -172.516 flat angles C4'-P-C4' energy: -205.133 flat angles P-C4'-P energy: -116.717 tors. eta vs tors. theta energy: -264.336 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: 418 Temperature: 1.050000 Total energy: -3006.096448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.096448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.096448 (E_RNA) where: Base-Base interactions energy: -2132.850 where: short stacking energy: -889.727 Base-Backbone interact. energy: -1.341 local terms energy: -871.905872 where: bonds (distance) C4'-P energy: -172.005 bonds (distance) P-C4' energy: -164.988 flat angles C4'-P-C4' energy: -189.600 flat angles P-C4'-P energy: -117.215 tors. eta vs tors. theta energy: -228.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2953.967956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.967956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.967956 (E_RNA) where: Base-Base interactions energy: -2082.584 where: short stacking energy: -887.222 Base-Backbone interact. energy: -1.412 local terms energy: -869.972172 where: bonds (distance) C4'-P energy: -146.326 bonds (distance) P-C4' energy: -167.588 flat angles C4'-P-C4' energy: -208.148 flat angles P-C4'-P energy: -120.466 tors. eta vs tors. theta energy: -227.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2707.849606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.849606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.849606 (E_RNA) where: Base-Base interactions energy: -1910.370 where: short stacking energy: -770.166 Base-Backbone interact. energy: -3.896 local terms energy: -793.584532 where: bonds (distance) C4'-P energy: -173.393 bonds (distance) P-C4' energy: -138.017 flat angles C4'-P-C4' energy: -162.192 flat angles P-C4'-P energy: -122.011 tors. eta vs tors. theta energy: -197.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2601.585565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2601.585565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2601.585565 (E_RNA) where: Base-Base interactions energy: -1800.908 where: short stacking energy: -774.035 Base-Backbone interact. energy: -5.377 local terms energy: -795.300591 where: bonds (distance) C4'-P energy: -169.056 bonds (distance) P-C4' energy: -153.176 flat angles C4'-P-C4' energy: -173.197 flat angles P-C4'-P energy: -103.542 tors. eta vs tors. theta energy: -196.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -2305.842212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.842212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.842212 (E_RNA) where: Base-Base interactions energy: -1596.798 where: short stacking energy: -709.265 Base-Backbone interact. energy: 2.077 local terms energy: -711.120616 where: bonds (distance) C4'-P energy: -141.000 bonds (distance) P-C4' energy: -143.557 flat angles C4'-P-C4' energy: -160.530 flat angles P-C4'-P energy: -106.244 tors. eta vs tors. theta energy: -159.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1871.579682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.579682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.579682 (E_RNA) where: Base-Base interactions energy: -1263.128 where: short stacking energy: -555.520 Base-Backbone interact. energy: 0.524 local terms energy: -608.975723 where: bonds (distance) C4'-P energy: -142.726 bonds (distance) P-C4' energy: -132.191 flat angles C4'-P-C4' energy: -156.549 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -103.105 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: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1513.354217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.354217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.354217 (E_RNA) where: Base-Base interactions energy: -970.156 where: short stacking energy: -467.944 Base-Backbone interact. energy: -0.510 local terms energy: -542.688581 where: bonds (distance) C4'-P energy: -123.162 bonds (distance) P-C4' energy: -146.834 flat angles C4'-P-C4' energy: -128.869 flat angles P-C4'-P energy: -69.597 tors. eta vs tors. theta energy: -74.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3456.413530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3456.413530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3456.413530 (E_RNA) where: Base-Base interactions energy: -2455.949 where: short stacking energy: -1019.291 Base-Backbone interact. energy: -2.152 local terms energy: -998.313261 where: bonds (distance) C4'-P energy: -180.745 bonds (distance) P-C4' energy: -182.812 flat angles C4'-P-C4' energy: -215.351 flat angles P-C4'-P energy: -134.670 tors. eta vs tors. theta energy: -284.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3311.146783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.146783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.146783 (E_RNA) where: Base-Base interactions energy: -2351.438 where: short stacking energy: -944.624 Base-Backbone interact. energy: -9.829 local terms energy: -949.879948 where: bonds (distance) C4'-P energy: -165.444 bonds (distance) P-C4' energy: -187.102 flat angles C4'-P-C4' energy: -213.694 flat angles P-C4'-P energy: -128.455 tors. eta vs tors. theta energy: -255.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -3194.216538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.216538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.216538 (E_RNA) where: Base-Base interactions energy: -2204.117 where: short stacking energy: -1001.566 Base-Backbone interact. energy: -4.171 local terms energy: -985.928683 where: bonds (distance) C4'-P energy: -177.146 bonds (distance) P-C4' energy: -174.445 flat angles C4'-P-C4' energy: -215.179 flat angles P-C4'-P energy: -138.602 tors. eta vs tors. theta energy: -280.557 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -3027.971847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3027.971847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3027.971847 (E_RNA) where: Base-Base interactions energy: -2119.838 where: short stacking energy: -879.061 Base-Backbone interact. energy: 7.496 local terms energy: -915.629652 where: bonds (distance) C4'-P energy: -170.646 bonds (distance) P-C4' energy: -166.601 flat angles C4'-P-C4' energy: -205.773 flat angles P-C4'-P energy: -139.487 tors. eta vs tors. theta energy: -233.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2927.382974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.382974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.382974 (E_RNA) where: Base-Base interactions energy: -2054.553 where: short stacking energy: -862.888 Base-Backbone interact. energy: -7.173 local terms energy: -865.657119 where: bonds (distance) C4'-P energy: -167.662 bonds (distance) P-C4' energy: -176.052 flat angles C4'-P-C4' energy: -190.731 flat angles P-C4'-P energy: -116.379 tors. eta vs tors. theta energy: -214.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2705.768016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.768016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.768016 (E_RNA) where: Base-Base interactions energy: -1924.371 where: short stacking energy: -797.764 Base-Backbone interact. energy: 1.144 local terms energy: -782.540745 where: bonds (distance) C4'-P energy: -156.360 bonds (distance) P-C4' energy: -154.633 flat angles C4'-P-C4' energy: -170.113 flat angles P-C4'-P energy: -105.596 tors. eta vs tors. theta energy: -195.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2622.385365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.385365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.385365 (E_RNA) where: Base-Base interactions energy: -1819.850 where: short stacking energy: -789.003 Base-Backbone interact. energy: -7.279 local terms energy: -795.256520 where: bonds (distance) C4'-P energy: -135.139 bonds (distance) P-C4' energy: -146.311 flat angles C4'-P-C4' energy: -182.958 flat angles P-C4'-P energy: -113.384 tors. eta vs tors. theta energy: -217.465 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: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -2305.711439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.711439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.711439 (E_RNA) where: Base-Base interactions energy: -1600.841 where: short stacking energy: -734.066 Base-Backbone interact. energy: -0.175 local terms energy: -704.694934 where: bonds (distance) C4'-P energy: -132.034 bonds (distance) P-C4' energy: -147.394 flat angles C4'-P-C4' energy: -157.211 flat angles P-C4'-P energy: -90.862 tors. eta vs tors. theta energy: -177.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1893.393851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.393851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.393851 (E_RNA) where: Base-Base interactions energy: -1270.932 where: short stacking energy: -548.076 Base-Backbone interact. energy: 6.573 local terms energy: -629.034981 where: bonds (distance) C4'-P energy: -130.265 bonds (distance) P-C4' energy: -150.630 flat angles C4'-P-C4' energy: -156.520 flat angles P-C4'-P energy: -88.502 tors. eta vs tors. theta energy: -103.117 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: 419 Temperature: 1.350000 Total energy: -1508.036013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.036013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.036013 (E_RNA) where: Base-Base interactions energy: -957.460 where: short stacking energy: -443.120 Base-Backbone interact. energy: -0.165 local terms energy: -550.410988 where: bonds (distance) C4'-P energy: -149.510 bonds (distance) P-C4' energy: -156.632 flat angles C4'-P-C4' energy: -119.670 flat angles P-C4'-P energy: -65.784 tors. eta vs tors. theta energy: -58.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3449.601897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3449.601897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3449.601897 (E_RNA) where: Base-Base interactions energy: -2441.526 where: short stacking energy: -1029.297 Base-Backbone interact. energy: -4.827 local terms energy: -1003.248395 where: bonds (distance) C4'-P energy: -166.522 bonds (distance) P-C4' energy: -199.064 flat angles C4'-P-C4' energy: -214.097 flat angles P-C4'-P energy: -135.416 tors. eta vs tors. theta energy: -288.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3302.741297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.741297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.741297 (E_RNA) where: Base-Base interactions energy: -2362.824 where: short stacking energy: -954.510 Base-Backbone interact. energy: -4.853 local terms energy: -935.064155 where: bonds (distance) C4'-P energy: -166.598 bonds (distance) P-C4' energy: -189.111 flat angles C4'-P-C4' energy: -202.896 flat angles P-C4'-P energy: -129.715 tors. eta vs tors. theta energy: -246.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -3164.289579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.289579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.289579 (E_RNA) where: Base-Base interactions energy: -2215.727 where: short stacking energy: -972.124 Base-Backbone interact. energy: 0.787 local terms energy: -949.348635 where: bonds (distance) C4'-P energy: -165.125 bonds (distance) P-C4' energy: -184.910 flat angles C4'-P-C4' energy: -197.316 flat angles P-C4'-P energy: -140.797 tors. eta vs tors. theta energy: -261.201 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: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -3064.703662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.703662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.703662 (E_RNA) where: Base-Base interactions energy: -2203.287 where: short stacking energy: -919.193 Base-Backbone interact. energy: -3.559 local terms energy: -857.858117 where: bonds (distance) C4'-P energy: -144.863 bonds (distance) P-C4' energy: -163.721 flat angles C4'-P-C4' energy: -196.094 flat angles P-C4'-P energy: -118.825 tors. eta vs tors. theta energy: -234.356 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: 420 Temperature: 1.100000 Total energy: -2958.789990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.789990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.789990 (E_RNA) where: Base-Base interactions energy: -2091.518 where: short stacking energy: -883.979 Base-Backbone interact. energy: 4.177 local terms energy: -871.449423 where: bonds (distance) C4'-P energy: -169.281 bonds (distance) P-C4' energy: -163.922 flat angles C4'-P-C4' energy: -185.694 flat angles P-C4'-P energy: -115.537 tors. eta vs tors. theta energy: -237.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2701.287847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.287847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.287847 (E_RNA) where: Base-Base interactions energy: -1892.200 where: short stacking energy: -782.714 Base-Backbone interact. energy: 0.327 local terms energy: -809.414991 where: bonds (distance) C4'-P energy: -162.091 bonds (distance) P-C4' energy: -163.820 flat angles C4'-P-C4' energy: -168.355 flat angles P-C4'-P energy: -111.755 tors. eta vs tors. theta energy: -203.394 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: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -2558.731551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.731551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.731551 (E_RNA) where: Base-Base interactions energy: -1796.386 where: short stacking energy: -769.968 Base-Backbone interact. energy: -4.012 local terms energy: -758.333513 where: bonds (distance) C4'-P energy: -138.064 bonds (distance) P-C4' energy: -134.195 flat angles C4'-P-C4' energy: -180.216 flat angles P-C4'-P energy: -111.560 tors. eta vs tors. theta energy: -194.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -2246.385266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.385266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.385266 (E_RNA) where: Base-Base interactions energy: -1552.916 where: short stacking energy: -677.124 Base-Backbone interact. energy: 2.806 local terms energy: -696.275235 where: bonds (distance) C4'-P energy: -138.665 bonds (distance) P-C4' energy: -150.261 flat angles C4'-P-C4' energy: -142.021 flat angles P-C4'-P energy: -106.196 tors. eta vs tors. theta energy: -159.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1903.755898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.755898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.755898 (E_RNA) where: Base-Base interactions energy: -1279.676 where: short stacking energy: -581.680 Base-Backbone interact. energy: 2.010 local terms energy: -626.089914 where: bonds (distance) C4'-P energy: -141.434 bonds (distance) P-C4' energy: -130.771 flat angles C4'-P-C4' energy: -165.515 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -118.070 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: 420 Temperature: 1.350000 Total energy: -1446.321774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.321774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.321774 (E_RNA) where: Base-Base interactions energy: -917.346 where: short stacking energy: -415.131 Base-Backbone interact. energy: -0.896 local terms energy: -528.079661 where: bonds (distance) C4'-P energy: -120.637 bonds (distance) P-C4' energy: -155.185 flat angles C4'-P-C4' energy: -134.558 flat angles P-C4'-P energy: -76.213 tors. eta vs tors. theta energy: -41.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3461.632863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.632863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.632863 (E_RNA) where: Base-Base interactions energy: -2440.268 where: short stacking energy: -1035.708 Base-Backbone interact. energy: -7.222 local terms energy: -1014.142656 where: bonds (distance) C4'-P energy: -182.045 bonds (distance) P-C4' energy: -183.140 flat angles C4'-P-C4' energy: -225.244 flat angles P-C4'-P energy: -132.472 tors. eta vs tors. theta energy: -291.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3314.281294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.281294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.281294 (E_RNA) where: Base-Base interactions energy: -2360.427 where: short stacking energy: -951.893 Base-Backbone interact. energy: -9.183 local terms energy: -944.671192 where: bonds (distance) C4'-P energy: -166.264 bonds (distance) P-C4' energy: -196.832 flat angles C4'-P-C4' energy: -209.247 flat angles P-C4'-P energy: -129.059 tors. eta vs tors. theta energy: -243.269 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: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -3149.685034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.685034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.685034 (E_RNA) where: Base-Base interactions energy: -2196.216 where: short stacking energy: -938.052 Base-Backbone interact. energy: -5.611 local terms energy: -947.857639 where: bonds (distance) C4'-P energy: -173.212 bonds (distance) P-C4' energy: -179.054 flat angles C4'-P-C4' energy: -196.692 flat angles P-C4'-P energy: -138.628 tors. eta vs tors. theta energy: -260.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -3040.919903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.919903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.919903 (E_RNA) where: Base-Base interactions energy: -2155.986 where: short stacking energy: -879.725 Base-Backbone interact. energy: -3.293 local terms energy: -881.640900 where: bonds (distance) C4'-P energy: -160.064 bonds (distance) P-C4' energy: -161.314 flat angles C4'-P-C4' energy: -187.784 flat angles P-C4'-P energy: -136.888 tors. eta vs tors. theta energy: -235.591 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: 421 Temperature: 1.100000 Total energy: -2939.775191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.775191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.775191 (E_RNA) where: Base-Base interactions energy: -2067.152 where: short stacking energy: -889.786 Base-Backbone interact. energy: -5.594 local terms energy: -867.029197 where: bonds (distance) C4'-P energy: -165.768 bonds (distance) P-C4' energy: -165.854 flat angles C4'-P-C4' energy: -190.604 flat angles P-C4'-P energy: -124.738 tors. eta vs tors. theta energy: -220.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2670.958416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.958416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.958416 (E_RNA) where: Base-Base interactions energy: -1869.590 where: short stacking energy: -797.260 Base-Backbone interact. energy: -4.359 local terms energy: -797.009387 where: bonds (distance) C4'-P energy: -136.154 bonds (distance) P-C4' energy: -174.936 flat angles C4'-P-C4' energy: -169.493 flat angles P-C4'-P energy: -115.529 tors. eta vs tors. theta energy: -200.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -2534.819722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.819722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.819722 (E_RNA) where: Base-Base interactions energy: -1759.863 where: short stacking energy: -764.432 Base-Backbone interact. energy: -2.219 local terms energy: -772.738370 where: bonds (distance) C4'-P energy: -135.672 bonds (distance) P-C4' energy: -149.349 flat angles C4'-P-C4' energy: -179.520 flat angles P-C4'-P energy: -114.967 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: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -2291.112704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2291.112704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2291.112704 (E_RNA) where: Base-Base interactions energy: -1578.374 where: short stacking energy: -704.898 Base-Backbone interact. energy: -4.503 local terms energy: -708.235452 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -136.155 flat angles C4'-P-C4' energy: -178.396 flat angles P-C4'-P energy: -97.676 tors. eta vs tors. theta energy: -167.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1990.089649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.089649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.089649 (E_RNA) where: Base-Base interactions energy: -1339.096 where: short stacking energy: -570.634 Base-Backbone interact. energy: 1.098 local terms energy: -652.092423 where: bonds (distance) C4'-P energy: -151.112 bonds (distance) P-C4' energy: -140.850 flat angles C4'-P-C4' energy: -155.075 flat angles P-C4'-P energy: -90.612 tors. eta vs tors. theta energy: -114.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1476.682859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.682859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.682859 (E_RNA) where: Base-Base interactions energy: -903.464 where: short stacking energy: -425.106 Base-Backbone interact. energy: 11.976 local terms energy: -585.194963 where: bonds (distance) C4'-P energy: -137.506 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -149.681 flat angles P-C4'-P energy: -97.549 tors. eta vs tors. theta energy: -48.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3440.180279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3440.180279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3440.180279 (E_RNA) where: Base-Base interactions energy: -2416.894 where: short stacking energy: -1035.681 Base-Backbone interact. energy: -5.779 local terms energy: -1017.507704 where: bonds (distance) C4'-P energy: -178.671 bonds (distance) P-C4' energy: -192.012 flat angles C4'-P-C4' energy: -219.046 flat angles P-C4'-P energy: -140.461 tors. eta vs tors. theta energy: -287.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3304.447144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.447144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.447144 (E_RNA) where: Base-Base interactions energy: -2382.313 where: short stacking energy: -953.415 Base-Backbone interact. energy: -1.807 local terms energy: -920.327083 where: bonds (distance) C4'-P energy: -162.387 bonds (distance) P-C4' energy: -183.927 flat angles C4'-P-C4' energy: -202.719 flat angles P-C4'-P energy: -123.967 tors. eta vs tors. theta energy: -247.327 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: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -3149.878158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.878158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.878158 (E_RNA) where: Base-Base interactions energy: -2188.326 where: short stacking energy: -938.200 Base-Backbone interact. energy: -3.321 local terms energy: -958.231283 where: bonds (distance) C4'-P energy: -176.702 bonds (distance) P-C4' energy: -169.096 flat angles C4'-P-C4' energy: -213.924 flat angles P-C4'-P energy: -137.410 tors. eta vs tors. theta energy: -261.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -3049.885990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.885990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.885990 (E_RNA) where: Base-Base interactions energy: -2154.175 where: short stacking energy: -928.996 Base-Backbone interact. energy: 1.816 local terms energy: -897.527467 where: bonds (distance) C4'-P energy: -173.309 bonds (distance) P-C4' energy: -176.500 flat angles C4'-P-C4' energy: -203.508 flat angles P-C4'-P energy: -101.163 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: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2921.155288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.155288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.155288 (E_RNA) where: Base-Base interactions energy: -2052.726 where: short stacking energy: -855.006 Base-Backbone interact. energy: -4.658 local terms energy: -863.771232 where: bonds (distance) C4'-P energy: -139.874 bonds (distance) P-C4' energy: -180.059 flat angles C4'-P-C4' energy: -202.773 flat angles P-C4'-P energy: -125.192 tors. eta vs tors. theta energy: -215.873 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: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2603.148487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.148487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.148487 (E_RNA) where: Base-Base interactions energy: -1830.233 where: short stacking energy: -758.348 Base-Backbone interact. energy: 0.825 local terms energy: -773.740393 where: bonds (distance) C4'-P energy: -135.308 bonds (distance) P-C4' energy: -154.779 flat angles C4'-P-C4' energy: -171.951 flat angles P-C4'-P energy: -114.018 tors. eta vs tors. theta energy: -197.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2531.372908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.372908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.372908 (E_RNA) where: Base-Base interactions energy: -1747.991 where: short stacking energy: -770.250 Base-Backbone interact. energy: 4.978 local terms energy: -788.359633 where: bonds (distance) C4'-P energy: -141.197 bonds (distance) P-C4' energy: -170.383 flat angles C4'-P-C4' energy: -178.514 flat angles P-C4'-P energy: -111.915 tors. eta vs tors. theta energy: -186.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -2309.269457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2309.269457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2309.269457 (E_RNA) where: Base-Base interactions energy: -1576.010 where: short stacking energy: -678.793 Base-Backbone interact. energy: 0.873 local terms energy: -734.132775 where: bonds (distance) C4'-P energy: -165.268 bonds (distance) P-C4' energy: -140.372 flat angles C4'-P-C4' energy: -159.186 flat angles P-C4'-P energy: -115.885 tors. eta vs tors. theta energy: -153.423 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: 3 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1985.347574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.347574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.347574 (E_RNA) where: Base-Base interactions energy: -1323.713 where: short stacking energy: -591.465 Base-Backbone interact. energy: -4.895 local terms energy: -656.738721 where: bonds (distance) C4'-P energy: -137.530 bonds (distance) P-C4' energy: -156.527 flat angles C4'-P-C4' energy: -145.025 flat angles P-C4'-P energy: -99.501 tors. eta vs tors. theta energy: -118.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1460.323402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.323402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.323402 (E_RNA) where: Base-Base interactions energy: -917.408 where: short stacking energy: -444.063 Base-Backbone interact. energy: 3.486 local terms energy: -546.401528 where: bonds (distance) C4'-P energy: -139.556 bonds (distance) P-C4' energy: -135.972 flat angles C4'-P-C4' energy: -154.541 flat angles P-C4'-P energy: -57.202 tors. eta vs tors. theta energy: -59.131 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: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3452.770219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3452.770219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3452.770219 (E_RNA) where: Base-Base interactions energy: -2436.342 where: short stacking energy: -1028.454 Base-Backbone interact. energy: 1.598 local terms energy: -1018.027144 where: bonds (distance) C4'-P energy: -181.039 bonds (distance) P-C4' energy: -192.102 flat angles C4'-P-C4' energy: -216.529 flat angles P-C4'-P energy: -141.134 tors. eta vs tors. theta energy: -287.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3250.998798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.998798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.998798 (E_RNA) where: Base-Base interactions energy: -2275.345 where: short stacking energy: -1011.349 Base-Backbone interact. energy: -0.566 local terms energy: -975.088166 where: bonds (distance) C4'-P energy: -183.314 bonds (distance) P-C4' energy: -164.365 flat angles C4'-P-C4' energy: -214.847 flat angles P-C4'-P energy: -137.943 tors. eta vs tors. theta energy: -274.620 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: 6 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -3225.027322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.027322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.027322 (E_RNA) where: Base-Base interactions energy: -2272.029 where: short stacking energy: -930.193 Base-Backbone interact. energy: -1.070 local terms energy: -951.928927 where: bonds (distance) C4'-P energy: -174.632 bonds (distance) P-C4' energy: -186.027 flat angles C4'-P-C4' energy: -206.852 flat angles P-C4'-P energy: -146.311 tors. eta vs tors. theta energy: -238.108 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: 4 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -3080.112248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.112248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.112248 (E_RNA) where: Base-Base interactions energy: -2191.462 where: short stacking energy: -930.543 Base-Backbone interact. energy: 2.136 local terms energy: -890.785910 where: bonds (distance) C4'-P energy: -164.780 bonds (distance) P-C4' energy: -164.612 flat angles C4'-P-C4' energy: -188.849 flat angles P-C4'-P energy: -133.463 tors. eta vs tors. theta energy: -239.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2918.383765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.383765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.383765 (E_RNA) where: Base-Base interactions energy: -2089.048 where: short stacking energy: -870.774 Base-Backbone interact. energy: -6.712 local terms energy: -822.623676 where: bonds (distance) C4'-P energy: -141.159 bonds (distance) P-C4' energy: -158.458 flat angles C4'-P-C4' energy: -196.135 flat angles P-C4'-P energy: -113.278 tors. eta vs tors. theta energy: -213.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2661.171035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.171035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.171035 (E_RNA) where: Base-Base interactions energy: -1860.294 where: short stacking energy: -796.898 Base-Backbone interact. energy: 2.701 local terms energy: -803.578400 where: bonds (distance) C4'-P energy: -161.563 bonds (distance) P-C4' energy: -146.379 flat angles C4'-P-C4' energy: -184.488 flat angles P-C4'-P energy: -114.434 tors. eta vs tors. theta energy: -196.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2620.043955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.043955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.043955 (E_RNA) where: Base-Base interactions energy: -1819.747 where: short stacking energy: -798.295 Base-Backbone interact. energy: -1.623 local terms energy: -798.674212 where: bonds (distance) C4'-P energy: -131.463 bonds (distance) P-C4' energy: -161.823 flat angles C4'-P-C4' energy: -177.520 flat angles P-C4'-P energy: -118.116 tors. eta vs tors. theta energy: -209.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -2318.760002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.760002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.760002 (E_RNA) where: Base-Base interactions energy: -1618.175 where: short stacking energy: -693.537 Base-Backbone interact. energy: -1.642 local terms energy: -698.943501 where: bonds (distance) C4'-P energy: -136.036 bonds (distance) P-C4' energy: -151.124 flat angles C4'-P-C4' energy: -174.345 flat angles P-C4'-P energy: -95.285 tors. eta vs tors. theta energy: -142.153 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: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1992.013799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.013799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.013799 (E_RNA) where: Base-Base interactions energy: -1347.936 where: short stacking energy: -590.516 Base-Backbone interact. energy: -3.752 local terms energy: -640.326088 where: bonds (distance) C4'-P energy: -143.903 bonds (distance) P-C4' energy: -140.854 flat angles C4'-P-C4' energy: -153.321 flat angles P-C4'-P energy: -93.309 tors. eta vs tors. theta energy: -108.939 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: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1441.870522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.870522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.870522 (E_RNA) where: Base-Base interactions energy: -903.032 where: short stacking energy: -428.236 Base-Backbone interact. energy: -2.529 local terms energy: -536.309514 where: bonds (distance) C4'-P energy: -110.384 bonds (distance) P-C4' energy: -151.313 flat angles C4'-P-C4' energy: -138.467 flat angles P-C4'-P energy: -74.280 tors. eta vs tors. theta energy: -61.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3457.366553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3457.366553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3457.366553 (E_RNA) where: Base-Base interactions energy: -2458.628 where: short stacking energy: -1054.364 Base-Backbone interact. energy: -4.831 local terms energy: -993.907348 where: bonds (distance) C4'-P energy: -176.108 bonds (distance) P-C4' energy: -175.876 flat angles C4'-P-C4' energy: -213.943 flat angles P-C4'-P energy: -146.148 tors. eta vs tors. theta energy: -281.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3218.187674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.187674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.187674 (E_RNA) where: Base-Base interactions energy: -2248.428 where: short stacking energy: -988.330 Base-Backbone interact. energy: -2.734 local terms energy: -967.025911 where: bonds (distance) C4'-P energy: -184.728 bonds (distance) P-C4' energy: -163.843 flat angles C4'-P-C4' energy: -214.677 flat angles P-C4'-P energy: -136.314 tors. eta vs tors. theta energy: -267.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -3199.490585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.490585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.490585 (E_RNA) where: Base-Base interactions energy: -2323.090 where: short stacking energy: -908.585 Base-Backbone interact. energy: -1.127 local terms energy: -875.273988 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -170.130 flat angles C4'-P-C4' energy: -196.411 flat angles P-C4'-P energy: -114.390 tors. eta vs tors. theta energy: -241.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -3090.891900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.891900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.891900 (E_RNA) where: Base-Base interactions energy: -2195.222 where: short stacking energy: -905.412 Base-Backbone interact. energy: -2.539 local terms energy: -893.130715 where: bonds (distance) C4'-P energy: -183.358 bonds (distance) P-C4' energy: -154.237 flat angles C4'-P-C4' energy: -180.920 flat angles P-C4'-P energy: -119.400 tors. eta vs tors. theta energy: -255.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2901.017742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.017742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.017742 (E_RNA) where: Base-Base interactions energy: -2028.472 where: short stacking energy: -866.384 Base-Backbone interact. energy: -3.902 local terms energy: -868.644462 where: bonds (distance) C4'-P energy: -166.016 bonds (distance) P-C4' energy: -162.969 flat angles C4'-P-C4' energy: -194.362 flat angles P-C4'-P energy: -119.899 tors. eta vs tors. theta energy: -225.398 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: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2685.493157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.493157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.493157 (E_RNA) where: Base-Base interactions energy: -1902.089 where: short stacking energy: -806.675 Base-Backbone interact. energy: -1.727 local terms energy: -781.678001 where: bonds (distance) C4'-P energy: -140.710 bonds (distance) P-C4' energy: -158.285 flat angles C4'-P-C4' energy: -175.030 flat angles P-C4'-P energy: -98.649 tors. eta vs tors. theta energy: -209.004 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: 8 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2610.138726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.138726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.138726 (E_RNA) where: Base-Base interactions energy: -1819.319 where: short stacking energy: -787.017 Base-Backbone interact. energy: 4.586 local terms energy: -795.405547 where: bonds (distance) C4'-P energy: -172.788 bonds (distance) P-C4' energy: -156.855 flat angles C4'-P-C4' energy: -170.527 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -187.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -2365.048815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.048815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.048815 (E_RNA) where: Base-Base interactions energy: -1631.929 where: short stacking energy: -700.559 Base-Backbone interact. energy: -2.760 local terms energy: -730.359955 where: bonds (distance) C4'-P energy: -139.682 bonds (distance) P-C4' energy: -165.159 flat angles C4'-P-C4' energy: -164.141 flat angles P-C4'-P energy: -101.939 tors. eta vs tors. theta energy: -159.439 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: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1980.079695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.079695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.079695 (E_RNA) where: Base-Base interactions energy: -1300.501 where: short stacking energy: -561.891 Base-Backbone interact. energy: 1.724 local terms energy: -681.302250 where: bonds (distance) C4'-P energy: -164.952 bonds (distance) P-C4' energy: -169.052 flat angles C4'-P-C4' energy: -142.079 flat angles P-C4'-P energy: -101.435 tors. eta vs tors. theta energy: -103.784 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: 424 Temperature: 1.350000 Total energy: -1442.093304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.093304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.093304 (E_RNA) where: Base-Base interactions energy: -890.880 where: short stacking energy: -399.851 Base-Backbone interact. energy: -3.616 local terms energy: -547.597096 where: bonds (distance) C4'-P energy: -164.849 bonds (distance) P-C4' energy: -134.413 flat angles C4'-P-C4' energy: -122.532 flat angles P-C4'-P energy: -74.140 tors. eta vs tors. theta energy: -51.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3467.813242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.813242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.813242 (E_RNA) where: Base-Base interactions energy: -2494.244 where: short stacking energy: -1071.991 Base-Backbone interact. energy: -3.000 local terms energy: -970.569557 where: bonds (distance) C4'-P energy: -153.101 bonds (distance) P-C4' energy: -184.885 flat angles C4'-P-C4' energy: -204.963 flat angles P-C4'-P energy: -138.447 tors. eta vs tors. theta energy: -289.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3271.681410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.681410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.681410 (E_RNA) where: Base-Base interactions energy: -2280.560 where: short stacking energy: -1010.078 Base-Backbone interact. energy: 1.598 local terms energy: -992.719015 where: bonds (distance) C4'-P energy: -178.581 bonds (distance) P-C4' energy: -167.395 flat angles C4'-P-C4' energy: -213.814 flat angles P-C4'-P energy: -152.648 tors. eta vs tors. theta energy: -280.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -3206.679968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.679968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.679968 (E_RNA) where: Base-Base interactions energy: -2296.945 where: short stacking energy: -930.267 Base-Backbone interact. energy: -4.906 local terms energy: -904.829022 where: bonds (distance) C4'-P energy: -167.180 bonds (distance) P-C4' energy: -173.897 flat angles C4'-P-C4' energy: -197.382 flat angles P-C4'-P energy: -116.635 tors. eta vs tors. theta energy: -249.736 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: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -3070.648344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.648344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.648344 (E_RNA) where: Base-Base interactions energy: -2158.985 where: short stacking energy: -904.507 Base-Backbone interact. energy: -2.056 local terms energy: -909.607446 where: bonds (distance) C4'-P energy: -165.971 bonds (distance) P-C4' energy: -179.515 flat angles C4'-P-C4' energy: -204.348 flat angles P-C4'-P energy: -113.091 tors. eta vs tors. theta energy: -246.682 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: 7 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2894.148300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.148300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.148300 (E_RNA) where: Base-Base interactions energy: -2056.556 where: short stacking energy: -849.558 Base-Backbone interact. energy: -5.570 local terms energy: -832.022881 where: bonds (distance) C4'-P energy: -166.963 bonds (distance) P-C4' energy: -161.618 flat angles C4'-P-C4' energy: -174.571 flat angles P-C4'-P energy: -112.673 tors. eta vs tors. theta energy: -216.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2678.686627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.686627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.686627 (E_RNA) where: Base-Base interactions energy: -1870.025 where: short stacking energy: -763.380 Base-Backbone interact. energy: 2.967 local terms energy: -811.628452 where: bonds (distance) C4'-P energy: -146.567 bonds (distance) P-C4' energy: -159.634 flat angles C4'-P-C4' energy: -187.178 flat angles P-C4'-P energy: -125.854 tors. eta vs tors. theta energy: -192.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2585.840038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.840038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.840038 (E_RNA) where: Base-Base interactions energy: -1810.665 where: short stacking energy: -762.953 Base-Backbone interact. energy: -1.359 local terms energy: -773.815557 where: bonds (distance) C4'-P energy: -128.962 bonds (distance) P-C4' energy: -171.583 flat angles C4'-P-C4' energy: -156.678 flat angles P-C4'-P energy: -118.762 tors. eta vs tors. theta energy: -197.830 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: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -2381.439595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.439595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.439595 (E_RNA) where: Base-Base interactions energy: -1650.410 where: short stacking energy: -691.749 Base-Backbone interact. energy: -2.760 local terms energy: -728.269515 where: bonds (distance) C4'-P energy: -148.512 bonds (distance) P-C4' energy: -162.048 flat angles C4'-P-C4' energy: -172.022 flat angles P-C4'-P energy: -108.369 tors. eta vs tors. theta energy: -137.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1967.702872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.702872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.702872 (E_RNA) where: Base-Base interactions energy: -1299.481 where: short stacking energy: -571.927 Base-Backbone interact. energy: 3.309 local terms energy: -671.531137 where: bonds (distance) C4'-P energy: -140.580 bonds (distance) P-C4' energy: -157.696 flat angles C4'-P-C4' energy: -155.847 flat angles P-C4'-P energy: -99.903 tors. eta vs tors. theta energy: -117.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1424.431460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.431460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.431460 (E_RNA) where: Base-Base interactions energy: -859.429 where: short stacking energy: -396.037 Base-Backbone interact. energy: -4.864 local terms energy: -560.137869 where: bonds (distance) C4'-P energy: -149.129 bonds (distance) P-C4' energy: -139.550 flat angles C4'-P-C4' energy: -128.545 flat angles P-C4'-P energy: -89.778 tors. eta vs tors. theta energy: -53.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3499.024048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3499.024048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3499.024048 (E_RNA) where: Base-Base interactions energy: -2469.797 where: short stacking energy: -1064.286 Base-Backbone interact. energy: -6.948 local terms energy: -1022.278850 where: bonds (distance) C4'-P energy: -188.835 bonds (distance) P-C4' energy: -180.931 flat angles C4'-P-C4' energy: -222.403 flat angles P-C4'-P energy: -135.351 tors. eta vs tors. theta energy: -294.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3270.491067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.491067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.491067 (E_RNA) where: Base-Base interactions energy: -2279.159 where: short stacking energy: -1025.267 Base-Backbone interact. energy: 2.764 local terms energy: -994.095813 where: bonds (distance) C4'-P energy: -179.260 bonds (distance) P-C4' energy: -191.796 flat angles C4'-P-C4' energy: -212.367 flat angles P-C4'-P energy: -133.683 tors. eta vs tors. theta energy: -276.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -3210.866388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3210.866388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3210.866388 (E_RNA) where: Base-Base interactions energy: -2302.639 where: short stacking energy: -926.653 Base-Backbone interact. energy: -1.992 local terms energy: -906.234890 where: bonds (distance) C4'-P energy: -163.813 bonds (distance) P-C4' energy: -177.994 flat angles C4'-P-C4' energy: -188.113 flat angles P-C4'-P energy: -131.698 tors. eta vs tors. theta energy: -244.618 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: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -3025.886441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.886441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.886441 (E_RNA) where: Base-Base interactions energy: -2140.725 where: short stacking energy: -900.209 Base-Backbone interact. energy: 0.582 local terms energy: -885.742859 where: bonds (distance) C4'-P energy: -166.540 bonds (distance) P-C4' energy: -175.886 flat angles C4'-P-C4' energy: -194.200 flat angles P-C4'-P energy: -113.174 tors. eta vs tors. theta energy: -235.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2901.698084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.698084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.698084 (E_RNA) where: Base-Base interactions energy: -2075.534 where: short stacking energy: -831.467 Base-Backbone interact. energy: 0.291 local terms energy: -826.454528 where: bonds (distance) C4'-P energy: -153.866 bonds (distance) P-C4' energy: -161.160 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -128.764 tors. eta vs tors. theta energy: -208.766 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: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2682.665324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.665324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.665324 (E_RNA) where: Base-Base interactions energy: -1890.632 where: short stacking energy: -780.353 Base-Backbone interact. energy: -0.010 local terms energy: -792.022951 where: bonds (distance) C4'-P energy: -159.490 bonds (distance) P-C4' energy: -150.866 flat angles C4'-P-C4' energy: -191.094 flat angles P-C4'-P energy: -108.161 tors. eta vs tors. theta energy: -182.412 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: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2597.761933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.761933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.761933 (E_RNA) where: Base-Base interactions energy: -1809.730 where: short stacking energy: -755.445 Base-Backbone interact. energy: -0.612 local terms energy: -787.419714 where: bonds (distance) C4'-P energy: -144.701 bonds (distance) P-C4' energy: -151.451 flat angles C4'-P-C4' energy: -167.794 flat angles P-C4'-P energy: -118.082 tors. eta vs tors. theta energy: -205.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2385.321906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.321906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.321906 (E_RNA) where: Base-Base interactions energy: -1692.856 where: short stacking energy: -687.187 Base-Backbone interact. energy: 4.688 local terms energy: -697.154032 where: bonds (distance) C4'-P energy: -144.331 bonds (distance) P-C4' energy: -141.034 flat angles C4'-P-C4' energy: -164.732 flat angles P-C4'-P energy: -89.574 tors. eta vs tors. theta energy: -157.483 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: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1935.295601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.295601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.295601 (E_RNA) where: Base-Base interactions energy: -1306.828 where: short stacking energy: -581.553 Base-Backbone interact. energy: 1.399 local terms energy: -629.866519 where: bonds (distance) C4'-P energy: -137.839 bonds (distance) P-C4' energy: -156.459 flat angles C4'-P-C4' energy: -135.573 flat angles P-C4'-P energy: -94.703 tors. eta vs tors. theta energy: -105.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1460.878158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.878158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.878158 (E_RNA) where: Base-Base interactions energy: -925.895 where: short stacking energy: -408.458 Base-Backbone interact. energy: -4.135 local terms energy: -530.848491 where: bonds (distance) C4'-P energy: -135.022 bonds (distance) P-C4' energy: -151.840 flat angles C4'-P-C4' energy: -148.172 flat angles P-C4'-P energy: -63.661 tors. eta vs tors. theta energy: -32.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3484.738761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3484.738761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3484.738761 (E_RNA) where: Base-Base interactions energy: -2479.381 where: short stacking energy: -1053.795 Base-Backbone interact. energy: -8.740 local terms energy: -996.617440 where: bonds (distance) C4'-P energy: -182.234 bonds (distance) P-C4' energy: -168.642 flat angles C4'-P-C4' energy: -209.920 flat angles P-C4'-P energy: -140.621 tors. eta vs tors. theta energy: -295.200 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: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3238.136669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.136669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.136669 (E_RNA) where: Base-Base interactions energy: -2241.462 where: short stacking energy: -1001.223 Base-Backbone interact. energy: -4.458 local terms energy: -992.216227 where: bonds (distance) C4'-P energy: -179.310 bonds (distance) P-C4' energy: -184.843 flat angles C4'-P-C4' energy: -209.822 flat angles P-C4'-P energy: -142.631 tors. eta vs tors. theta energy: -275.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -3226.868142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.868142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.868142 (E_RNA) where: Base-Base interactions energy: -2310.535 where: short stacking energy: -909.612 Base-Backbone interact. energy: -3.911 local terms energy: -912.422414 where: bonds (distance) C4'-P energy: -165.831 bonds (distance) P-C4' energy: -173.472 flat angles C4'-P-C4' energy: -214.175 flat angles P-C4'-P energy: -123.187 tors. eta vs tors. theta energy: -235.757 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: 427 Temperature: 1.050000 Total energy: -3044.575262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.575262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.575262 (E_RNA) where: Base-Base interactions energy: -2123.789 where: short stacking energy: -891.247 Base-Backbone interact. energy: -2.674 local terms energy: -918.112359 where: bonds (distance) C4'-P energy: -165.173 bonds (distance) P-C4' energy: -192.355 flat angles C4'-P-C4' energy: -208.843 flat angles P-C4'-P energy: -121.021 tors. eta vs tors. theta energy: -230.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2878.930066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.930066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.930066 (E_RNA) where: Base-Base interactions energy: -2017.653 where: short stacking energy: -832.075 Base-Backbone interact. energy: -3.262 local terms energy: -858.014889 where: bonds (distance) C4'-P energy: -155.016 bonds (distance) P-C4' energy: -170.490 flat angles C4'-P-C4' energy: -174.477 flat angles P-C4'-P energy: -128.616 tors. eta vs tors. theta energy: -229.417 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: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2671.376180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.376180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.376180 (E_RNA) where: Base-Base interactions energy: -1867.426 where: short stacking energy: -779.418 Base-Backbone interact. energy: 3.648 local terms energy: -807.597868 where: bonds (distance) C4'-P energy: -173.039 bonds (distance) P-C4' energy: -147.456 flat angles C4'-P-C4' energy: -178.566 flat angles P-C4'-P energy: -105.887 tors. eta vs tors. theta energy: -202.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2566.956964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.956964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.956964 (E_RNA) where: Base-Base interactions energy: -1764.716 where: short stacking energy: -737.008 Base-Backbone interact. energy: -4.019 local terms energy: -798.222079 where: bonds (distance) C4'-P energy: -146.600 bonds (distance) P-C4' energy: -161.821 flat angles C4'-P-C4' energy: -184.023 flat angles P-C4'-P energy: -116.760 tors. eta vs tors. theta energy: -189.018 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: 1 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2357.220994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.220994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.220994 (E_RNA) where: Base-Base interactions energy: -1643.553 where: short stacking energy: -652.100 Base-Backbone interact. energy: -2.021 local terms energy: -711.647051 where: bonds (distance) C4'-P energy: -155.552 bonds (distance) P-C4' energy: -155.535 flat angles C4'-P-C4' energy: -158.299 flat angles P-C4'-P energy: -84.612 tors. eta vs tors. theta energy: -157.647 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: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1983.456761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.456761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.456761 (E_RNA) where: Base-Base interactions energy: -1314.466 where: short stacking energy: -595.604 Base-Backbone interact. energy: 2.776 local terms energy: -671.766689 where: bonds (distance) C4'-P energy: -151.930 bonds (distance) P-C4' energy: -153.621 flat angles C4'-P-C4' energy: -150.176 flat angles P-C4'-P energy: -99.163 tors. eta vs tors. theta energy: -116.876 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: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1458.957311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.957311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.957311 (E_RNA) where: Base-Base interactions energy: -917.225 where: short stacking energy: -423.277 Base-Backbone interact. energy: 4.717 local terms energy: -546.449392 where: bonds (distance) C4'-P energy: -151.547 bonds (distance) P-C4' energy: -146.238 flat angles C4'-P-C4' energy: -122.383 flat angles P-C4'-P energy: -91.010 tors. eta vs tors. theta energy: -35.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3460.781787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3460.781787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3460.781787 (E_RNA) where: Base-Base interactions energy: -2455.023 where: short stacking energy: -1057.273 Base-Backbone interact. energy: -3.538 local terms energy: -1002.220944 where: bonds (distance) C4'-P energy: -165.692 bonds (distance) P-C4' energy: -183.490 flat angles C4'-P-C4' energy: -217.076 flat angles P-C4'-P energy: -140.521 tors. eta vs tors. theta energy: -295.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3239.948435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.948435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.948435 (E_RNA) where: Base-Base interactions energy: -2284.443 where: short stacking energy: -998.583 Base-Backbone interact. energy: -1.145 local terms energy: -954.360346 where: bonds (distance) C4'-P energy: -168.836 bonds (distance) P-C4' energy: -171.648 flat angles C4'-P-C4' energy: -209.960 flat angles P-C4'-P energy: -142.003 tors. eta vs tors. theta energy: -261.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -3215.944377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.944377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.944377 (E_RNA) where: Base-Base interactions energy: -2310.304 where: short stacking energy: -922.960 Base-Backbone interact. energy: -1.145 local terms energy: -904.494861 where: bonds (distance) C4'-P energy: -173.848 bonds (distance) P-C4' energy: -163.613 flat angles C4'-P-C4' energy: -189.268 flat angles P-C4'-P energy: -133.369 tors. eta vs tors. theta energy: -244.398 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: 4 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -3035.751675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.751675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.751675 (E_RNA) where: Base-Base interactions energy: -2142.150 where: short stacking energy: -904.513 Base-Backbone interact. energy: 0.508 local terms energy: -894.110219 where: bonds (distance) C4'-P energy: -163.187 bonds (distance) P-C4' energy: -163.765 flat angles C4'-P-C4' energy: -194.760 flat angles P-C4'-P energy: -132.049 tors. eta vs tors. theta energy: -240.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2929.689177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.689177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.689177 (E_RNA) where: Base-Base interactions energy: -2073.852 where: short stacking energy: -856.208 Base-Backbone interact. energy: -6.069 local terms energy: -849.768154 where: bonds (distance) C4'-P energy: -136.819 bonds (distance) P-C4' energy: -176.858 flat angles C4'-P-C4' energy: -183.907 flat angles P-C4'-P energy: -131.022 tors. eta vs tors. theta energy: -221.162 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: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2722.812314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.812314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.812314 (E_RNA) where: Base-Base interactions energy: -1930.608 where: short stacking energy: -766.599 Base-Backbone interact. energy: 1.795 local terms energy: -793.998892 where: bonds (distance) C4'-P energy: -144.442 bonds (distance) P-C4' energy: -164.258 flat angles C4'-P-C4' energy: -184.501 flat angles P-C4'-P energy: -106.973 tors. eta vs tors. theta energy: -193.825 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: 8 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2566.889202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.889202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.889202 (E_RNA) where: Base-Base interactions energy: -1801.190 where: short stacking energy: -749.399 Base-Backbone interact. energy: -0.999 local terms energy: -764.700370 where: bonds (distance) C4'-P energy: -165.753 bonds (distance) P-C4' energy: -151.772 flat angles C4'-P-C4' energy: -163.916 flat angles P-C4'-P energy: -101.249 tors. eta vs tors. theta energy: -182.010 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: 1 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2422.156702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.156702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.156702 (E_RNA) where: Base-Base interactions energy: -1679.844 where: short stacking energy: -688.226 Base-Backbone interact. energy: -0.120 local terms energy: -742.192306 where: bonds (distance) C4'-P energy: -138.802 bonds (distance) P-C4' energy: -157.781 flat angles C4'-P-C4' energy: -179.933 flat angles P-C4'-P energy: -94.696 tors. eta vs tors. theta energy: -170.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -2017.055870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.055870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.055870 (E_RNA) where: Base-Base interactions energy: -1378.224 where: short stacking energy: -612.500 Base-Backbone interact. energy: -2.336 local terms energy: -636.495566 where: bonds (distance) C4'-P energy: -151.216 bonds (distance) P-C4' energy: -148.501 flat angles C4'-P-C4' energy: -152.197 flat angles P-C4'-P energy: -75.848 tors. eta vs tors. theta energy: -108.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1494.602421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.602421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.602421 (E_RNA) where: Base-Base interactions energy: -913.363 where: short stacking energy: -442.526 Base-Backbone interact. energy: -4.741 local terms energy: -576.498142 where: bonds (distance) C4'-P energy: -131.871 bonds (distance) P-C4' energy: -148.324 flat angles C4'-P-C4' energy: -138.742 flat angles P-C4'-P energy: -97.629 tors. eta vs tors. theta energy: -59.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3487.622945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.622945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.622945 (E_RNA) where: Base-Base interactions energy: -2464.698 where: short stacking energy: -1036.823 Base-Backbone interact. energy: -4.596 local terms energy: -1018.328877 where: bonds (distance) C4'-P energy: -175.885 bonds (distance) P-C4' energy: -203.387 flat angles C4'-P-C4' energy: -215.616 flat angles P-C4'-P energy: -135.765 tors. eta vs tors. theta energy: -287.676 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: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3200.600146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.600146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.600146 (E_RNA) where: Base-Base interactions energy: -2209.361 where: short stacking energy: -953.206 Base-Backbone interact. energy: -1.784 local terms energy: -989.455168 where: bonds (distance) C4'-P energy: -181.717 bonds (distance) P-C4' energy: -195.995 flat angles C4'-P-C4' energy: -213.198 flat angles P-C4'-P energy: -147.993 tors. eta vs tors. theta energy: -250.552 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: 6 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -3231.951153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.951153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.951153 (E_RNA) where: Base-Base interactions energy: -2309.442 where: short stacking energy: -935.210 Base-Backbone interact. energy: -5.911 local terms energy: -916.598512 where: bonds (distance) C4'-P energy: -162.927 bonds (distance) P-C4' energy: -182.708 flat angles C4'-P-C4' energy: -189.431 flat angles P-C4'-P energy: -135.093 tors. eta vs tors. theta energy: -246.440 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: 429 Temperature: 1.050000 Total energy: -3038.330133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.330133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.330133 (E_RNA) where: Base-Base interactions energy: -2145.014 where: short stacking energy: -892.330 Base-Backbone interact. energy: -3.273 local terms energy: -890.042571 where: bonds (distance) C4'-P energy: -174.701 bonds (distance) P-C4' energy: -164.611 flat angles C4'-P-C4' energy: -190.923 flat angles P-C4'-P energy: -130.511 tors. eta vs tors. theta energy: -229.297 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: 429 Temperature: 1.100000 Total energy: -2929.057043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.057043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.057043 (E_RNA) where: Base-Base interactions energy: -2092.096 where: short stacking energy: -870.989 Base-Backbone interact. energy: -3.625 local terms energy: -833.335331 where: bonds (distance) C4'-P energy: -135.312 bonds (distance) P-C4' energy: -160.035 flat angles C4'-P-C4' energy: -178.305 flat angles P-C4'-P energy: -133.726 tors. eta vs tors. theta energy: -225.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2616.271702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.271702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.271702 (E_RNA) where: Base-Base interactions energy: -1849.127 where: short stacking energy: -753.595 Base-Backbone interact. energy: 1.307 local terms energy: -768.452568 where: bonds (distance) C4'-P energy: -135.741 bonds (distance) P-C4' energy: -144.959 flat angles C4'-P-C4' energy: -173.868 flat angles P-C4'-P energy: -128.760 tors. eta vs tors. theta energy: -185.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2519.049738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.049738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.049738 (E_RNA) where: Base-Base interactions energy: -1735.602 where: short stacking energy: -771.299 Base-Backbone interact. energy: 3.237 local terms energy: -786.685145 where: bonds (distance) C4'-P energy: -142.380 bonds (distance) P-C4' energy: -159.549 flat angles C4'-P-C4' energy: -182.311 flat angles P-C4'-P energy: -105.224 tors. eta vs tors. theta energy: -197.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2490.695097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.695097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.695097 (E_RNA) where: Base-Base interactions energy: -1724.804 where: short stacking energy: -736.762 Base-Backbone interact. energy: -2.549 local terms energy: -763.342128 where: bonds (distance) C4'-P energy: -136.586 bonds (distance) P-C4' energy: -152.008 flat angles C4'-P-C4' energy: -177.008 flat angles P-C4'-P energy: -105.812 tors. eta vs tors. theta energy: -191.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1940.661769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.661769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.661769 (E_RNA) where: Base-Base interactions energy: -1311.156 where: short stacking energy: -579.048 Base-Backbone interact. energy: -2.314 local terms energy: -627.191995 where: bonds (distance) C4'-P energy: -117.364 bonds (distance) P-C4' energy: -152.408 flat angles C4'-P-C4' energy: -146.392 flat angles P-C4'-P energy: -107.204 tors. eta vs tors. theta energy: -103.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1545.152236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.152236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.152236 (E_RNA) where: Base-Base interactions energy: -1018.692 where: short stacking energy: -419.554 Base-Backbone interact. energy: 0.283 local terms energy: -526.742908 where: bonds (distance) C4'-P energy: -148.970 bonds (distance) P-C4' energy: -125.529 flat angles C4'-P-C4' energy: -146.451 flat angles P-C4'-P energy: -67.347 tors. eta vs tors. theta energy: -38.446 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: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3509.313705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3509.313705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3509.313705 (E_RNA) where: Base-Base interactions energy: -2478.273 where: short stacking energy: -1072.793 Base-Backbone interact. energy: -4.404 local terms energy: -1026.637155 where: bonds (distance) C4'-P energy: -185.476 bonds (distance) P-C4' energy: -180.782 flat angles C4'-P-C4' energy: -216.937 flat angles P-C4'-P energy: -153.249 tors. eta vs tors. theta energy: -290.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3274.578720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.578720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.578720 (E_RNA) where: Base-Base interactions energy: -2279.595 where: short stacking energy: -1014.709 Base-Backbone interact. energy: -2.171 local terms energy: -992.813455 where: bonds (distance) C4'-P energy: -171.397 bonds (distance) P-C4' energy: -178.067 flat angles C4'-P-C4' energy: -220.046 flat angles P-C4'-P energy: -151.831 tors. eta vs tors. theta energy: -271.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -3218.500783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.500783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.500783 (E_RNA) where: Base-Base interactions energy: -2320.091 where: short stacking energy: -928.131 Base-Backbone interact. energy: -7.842 local terms energy: -890.567093 where: bonds (distance) C4'-P energy: -179.060 bonds (distance) P-C4' energy: -163.613 flat angles C4'-P-C4' energy: -187.291 flat angles P-C4'-P energy: -112.943 tors. eta vs tors. theta energy: -247.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -3006.432890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.432890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.432890 (E_RNA) where: Base-Base interactions energy: -2099.595 where: short stacking energy: -892.937 Base-Backbone interact. energy: -2.884 local terms energy: -903.953422 where: bonds (distance) C4'-P energy: -157.564 bonds (distance) P-C4' energy: -179.499 flat angles C4'-P-C4' energy: -202.889 flat angles P-C4'-P energy: -133.594 tors. eta vs tors. theta energy: -230.408 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: 430 Temperature: 1.100000 Total energy: -2901.896136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.896136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.896136 (E_RNA) where: Base-Base interactions energy: -2023.874 where: short stacking energy: -832.892 Base-Backbone interact. energy: -1.019 local terms energy: -877.003225 where: bonds (distance) C4'-P energy: -146.227 bonds (distance) P-C4' energy: -196.904 flat angles C4'-P-C4' energy: -185.079 flat angles P-C4'-P energy: -133.901 tors. eta vs tors. theta energy: -214.892 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: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2720.652363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.652363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.652363 (E_RNA) where: Base-Base interactions energy: -1903.496 where: short stacking energy: -827.404 Base-Backbone interact. energy: -4.745 local terms energy: -812.411814 where: bonds (distance) C4'-P energy: -149.097 bonds (distance) P-C4' energy: -142.096 flat angles C4'-P-C4' energy: -188.544 flat angles P-C4'-P energy: -118.016 tors. eta vs tors. theta energy: -214.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2559.535653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.535653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.535653 (E_RNA) where: Base-Base interactions energy: -1782.773 where: short stacking energy: -737.334 Base-Backbone interact. energy: -1.473 local terms energy: -775.289708 where: bonds (distance) C4'-P energy: -146.739 bonds (distance) P-C4' energy: -160.274 flat angles C4'-P-C4' energy: -177.460 flat angles P-C4'-P energy: -101.361 tors. eta vs tors. theta energy: -189.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2496.944509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.944509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.944509 (E_RNA) where: Base-Base interactions energy: -1748.049 where: short stacking energy: -739.389 Base-Backbone interact. energy: -4.827 local terms energy: -744.068921 where: bonds (distance) C4'-P energy: -146.322 bonds (distance) P-C4' energy: -148.692 flat angles C4'-P-C4' energy: -175.986 flat angles P-C4'-P energy: -90.566 tors. eta vs tors. theta energy: -182.502 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: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1945.659793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.659793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.659793 (E_RNA) where: Base-Base interactions energy: -1307.483 where: short stacking energy: -557.661 Base-Backbone interact. energy: -3.901 local terms energy: -634.275718 where: bonds (distance) C4'-P energy: -159.660 bonds (distance) P-C4' energy: -167.430 flat angles C4'-P-C4' energy: -142.271 flat angles P-C4'-P energy: -73.964 tors. eta vs tors. theta energy: -90.952 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: 430 Temperature: 1.350000 Total energy: -1571.148686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.148686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.148686 (E_RNA) where: Base-Base interactions energy: -1016.297 where: short stacking energy: -446.304 Base-Backbone interact. energy: 0.417 local terms energy: -555.267932 where: bonds (distance) C4'-P energy: -153.459 bonds (distance) P-C4' energy: -145.257 flat angles C4'-P-C4' energy: -131.951 flat angles P-C4'-P energy: -75.232 tors. eta vs tors. theta energy: -49.368 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: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3468.254640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.254640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.254640 (E_RNA) where: Base-Base interactions energy: -2438.495 where: short stacking energy: -1038.740 Base-Backbone interact. energy: -3.277 local terms energy: -1026.483459 where: bonds (distance) C4'-P energy: -198.621 bonds (distance) P-C4' energy: -186.941 flat angles C4'-P-C4' energy: -218.012 flat angles P-C4'-P energy: -132.945 tors. eta vs tors. theta energy: -289.965 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: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3257.189566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.189566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.189566 (E_RNA) where: Base-Base interactions energy: -2264.950 where: short stacking energy: -998.805 Base-Backbone interact. energy: -5.011 local terms energy: -987.229055 where: bonds (distance) C4'-P energy: -174.229 bonds (distance) P-C4' energy: -188.423 flat angles C4'-P-C4' energy: -212.867 flat angles P-C4'-P energy: -140.794 tors. eta vs tors. theta energy: -270.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -3239.133853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.133853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.133853 (E_RNA) where: Base-Base interactions energy: -2356.667 where: short stacking energy: -957.878 Base-Backbone interact. energy: -4.076 local terms energy: -878.390383 where: bonds (distance) C4'-P energy: -160.042 bonds (distance) P-C4' energy: -163.664 flat angles C4'-P-C4' energy: -190.511 flat angles P-C4'-P energy: -130.937 tors. eta vs tors. theta energy: -233.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -3018.965606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.965606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.965606 (E_RNA) where: Base-Base interactions energy: -2136.136 where: short stacking energy: -898.222 Base-Backbone interact. energy: -0.185 local terms energy: -882.645046 where: bonds (distance) C4'-P energy: -168.659 bonds (distance) P-C4' energy: -174.043 flat angles C4'-P-C4' energy: -198.278 flat angles P-C4'-P energy: -117.507 tors. eta vs tors. theta energy: -224.158 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: 431 Temperature: 1.100000 Total energy: -2889.586803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.586803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.586803 (E_RNA) where: Base-Base interactions energy: -2040.970 where: short stacking energy: -828.335 Base-Backbone interact. energy: -2.936 local terms energy: -845.680515 where: bonds (distance) C4'-P energy: -171.612 bonds (distance) P-C4' energy: -155.811 flat angles C4'-P-C4' energy: -190.685 flat angles P-C4'-P energy: -121.100 tors. eta vs tors. theta energy: -206.472 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: 5 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2717.868643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.868643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.868643 (E_RNA) where: Base-Base interactions energy: -1873.405 where: short stacking energy: -787.662 Base-Backbone interact. energy: -3.000 local terms energy: -841.463967 where: bonds (distance) C4'-P energy: -151.460 bonds (distance) P-C4' energy: -169.641 flat angles C4'-P-C4' energy: -183.383 flat angles P-C4'-P energy: -121.085 tors. eta vs tors. theta energy: -215.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2592.678380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.678380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.678380 (E_RNA) where: Base-Base interactions energy: -1796.187 where: short stacking energy: -770.599 Base-Backbone interact. energy: -0.156 local terms energy: -796.336139 where: bonds (distance) C4'-P energy: -140.290 bonds (distance) P-C4' energy: -164.818 flat angles C4'-P-C4' energy: -174.013 flat angles P-C4'-P energy: -121.995 tors. eta vs tors. theta energy: -195.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2475.846731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.846731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.846731 (E_RNA) where: Base-Base interactions energy: -1720.351 where: short stacking energy: -743.629 Base-Backbone interact. energy: 1.622 local terms energy: -757.117533 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -161.968 flat angles C4'-P-C4' energy: -169.152 flat angles P-C4'-P energy: -110.913 tors. eta vs tors. theta energy: -185.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -2052.478801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.478801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.478801 (E_RNA) where: Base-Base interactions energy: -1386.010 where: short stacking energy: -593.285 Base-Backbone interact. energy: -0.156 local terms energy: -666.313089 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -143.849 flat angles C4'-P-C4' energy: -159.422 flat angles P-C4'-P energy: -99.430 tors. eta vs tors. theta energy: -118.934 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: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1470.891245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.891245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.891245 (E_RNA) where: Base-Base interactions energy: -926.663 where: short stacking energy: -430.634 Base-Backbone interact. energy: -1.634 local terms energy: -542.593783 where: bonds (distance) C4'-P energy: -148.934 bonds (distance) P-C4' energy: -143.005 flat angles C4'-P-C4' energy: -122.771 flat angles P-C4'-P energy: -78.363 tors. eta vs tors. theta energy: -49.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3469.765060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.765060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.765060 (E_RNA) where: Base-Base interactions energy: -2452.189 where: short stacking energy: -1064.760 Base-Backbone interact. energy: -3.979 local terms energy: -1013.597190 where: bonds (distance) C4'-P energy: -177.465 bonds (distance) P-C4' energy: -191.201 flat angles C4'-P-C4' energy: -210.068 flat angles P-C4'-P energy: -142.301 tors. eta vs tors. theta energy: -292.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3266.450457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.450457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.450457 (E_RNA) where: Base-Base interactions energy: -2298.109 where: short stacking energy: -989.790 Base-Backbone interact. energy: -2.587 local terms energy: -965.753741 where: bonds (distance) C4'-P energy: -185.020 bonds (distance) P-C4' energy: -173.348 flat angles C4'-P-C4' energy: -207.936 flat angles P-C4'-P energy: -127.267 tors. eta vs tors. theta energy: -272.183 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: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -3252.246609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.246609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.246609 (E_RNA) where: Base-Base interactions energy: -2344.876 where: short stacking energy: -923.273 Base-Backbone interact. energy: -2.549 local terms energy: -904.821797 where: bonds (distance) C4'-P energy: -156.564 bonds (distance) P-C4' energy: -177.029 flat angles C4'-P-C4' energy: -209.011 flat angles P-C4'-P energy: -126.750 tors. eta vs tors. theta energy: -235.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -3010.510701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.510701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.510701 (E_RNA) where: Base-Base interactions energy: -2124.125 where: short stacking energy: -873.400 Base-Backbone interact. energy: -4.854 local terms energy: -881.532456 where: bonds (distance) C4'-P energy: -165.365 bonds (distance) P-C4' energy: -180.691 flat angles C4'-P-C4' energy: -190.658 flat angles P-C4'-P energy: -122.797 tors. eta vs tors. theta energy: -222.022 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: 432 Temperature: 1.100000 Total energy: -2936.289188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.289188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.289188 (E_RNA) where: Base-Base interactions energy: -2074.979 where: short stacking energy: -827.782 Base-Backbone interact. energy: -6.132 local terms energy: -855.178149 where: bonds (distance) C4'-P energy: -155.034 bonds (distance) P-C4' energy: -183.760 flat angles C4'-P-C4' energy: -181.235 flat angles P-C4'-P energy: -121.898 tors. eta vs tors. theta energy: -213.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2730.840002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.840002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.840002 (E_RNA) where: Base-Base interactions energy: -1910.166 where: short stacking energy: -785.344 Base-Backbone interact. energy: -0.418 local terms energy: -820.255447 where: bonds (distance) C4'-P energy: -148.342 bonds (distance) P-C4' energy: -154.502 flat angles C4'-P-C4' energy: -175.604 flat angles P-C4'-P energy: -119.186 tors. eta vs tors. theta energy: -222.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2626.017969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.017969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.017969 (E_RNA) where: Base-Base interactions energy: -1842.424 where: short stacking energy: -806.291 Base-Backbone interact. energy: -0.804 local terms energy: -782.789729 where: bonds (distance) C4'-P energy: -149.810 bonds (distance) P-C4' energy: -154.967 flat angles C4'-P-C4' energy: -169.340 flat angles P-C4'-P energy: -115.318 tors. eta vs tors. theta energy: -193.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2449.561588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.561588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.561588 (E_RNA) where: Base-Base interactions energy: -1680.879 where: short stacking energy: -709.576 Base-Backbone interact. energy: 3.025 local terms energy: -771.706999 where: bonds (distance) C4'-P energy: -138.791 bonds (distance) P-C4' energy: -159.530 flat angles C4'-P-C4' energy: -175.489 flat angles P-C4'-P energy: -122.881 tors. eta vs tors. theta energy: -175.016 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: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1981.287688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.287688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.287688 (E_RNA) where: Base-Base interactions energy: -1349.559 where: short stacking energy: -551.298 Base-Backbone interact. energy: 3.455 local terms energy: -635.183672 where: bonds (distance) C4'-P energy: -131.249 bonds (distance) P-C4' energy: -155.795 flat angles C4'-P-C4' energy: -151.112 flat angles P-C4'-P energy: -88.402 tors. eta vs tors. theta energy: -108.625 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: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1543.383325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.383325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.383325 (E_RNA) where: Base-Base interactions energy: -976.061 where: short stacking energy: -459.169 Base-Backbone interact. energy: 2.669 local terms energy: -569.991166 where: bonds (distance) C4'-P energy: -138.525 bonds (distance) P-C4' energy: -142.132 flat angles C4'-P-C4' energy: -151.425 flat angles P-C4'-P energy: -88.928 tors. eta vs tors. theta energy: -48.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3487.455902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.455902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.455902 (E_RNA) where: Base-Base interactions energy: -2453.249 where: short stacking energy: -1051.346 Base-Backbone interact. energy: 6.576 local terms energy: -1040.782977 where: bonds (distance) C4'-P energy: -189.148 bonds (distance) P-C4' energy: -190.510 flat angles C4'-P-C4' energy: -225.884 flat angles P-C4'-P energy: -134.963 tors. eta vs tors. theta energy: -300.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3295.257722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.257722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.257722 (E_RNA) where: Base-Base interactions energy: -2325.493 where: short stacking energy: -965.463 Base-Backbone interact. energy: -2.228 local terms energy: -967.537225 where: bonds (distance) C4'-P energy: -194.066 bonds (distance) P-C4' energy: -176.037 flat angles C4'-P-C4' energy: -205.222 flat angles P-C4'-P energy: -140.868 tors. eta vs tors. theta energy: -251.345 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: 9 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -3169.374111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.374111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.374111 (E_RNA) where: Base-Base interactions energy: -2240.431 where: short stacking energy: -961.118 Base-Backbone interact. energy: -2.619 local terms energy: -926.324324 where: bonds (distance) C4'-P energy: -163.458 bonds (distance) P-C4' energy: -166.178 flat angles C4'-P-C4' energy: -200.599 flat angles P-C4'-P energy: -129.014 tors. eta vs tors. theta energy: -267.075 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: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2979.429146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.429146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.429146 (E_RNA) where: Base-Base interactions energy: -2090.863 where: short stacking energy: -868.513 Base-Backbone interact. energy: 1.743 local terms energy: -890.309178 where: bonds (distance) C4'-P energy: -146.147 bonds (distance) P-C4' energy: -189.695 flat angles C4'-P-C4' energy: -200.058 flat angles P-C4'-P energy: -129.537 tors. eta vs tors. theta energy: -224.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2858.739958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.739958 (E_RNA) where: Base-Base interactions energy: -2024.765 where: short stacking energy: -855.689 Base-Backbone interact. energy: -6.038 local terms energy: -827.936928 where: bonds (distance) C4'-P energy: -157.279 bonds (distance) P-C4' energy: -165.892 flat angles C4'-P-C4' energy: -182.028 flat angles P-C4'-P energy: -107.766 tors. eta vs tors. theta energy: -214.972 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: 433 Temperature: 1.150000 Total energy: -2663.109246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.109246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.109246 (E_RNA) where: Base-Base interactions energy: -1877.288 where: short stacking energy: -751.650 Base-Backbone interact. energy: 9.117 local terms energy: -794.937750 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -151.251 flat angles C4'-P-C4' energy: -191.465 flat angles P-C4'-P energy: -124.898 tors. eta vs tors. theta energy: -190.096 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: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2607.134291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.134291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.134291 (E_RNA) where: Base-Base interactions energy: -1798.933 where: short stacking energy: -799.508 Base-Backbone interact. energy: -3.841 local terms energy: -804.359736 where: bonds (distance) C4'-P energy: -133.510 bonds (distance) P-C4' energy: -160.647 flat angles C4'-P-C4' energy: -179.651 flat angles P-C4'-P energy: -121.309 tors. eta vs tors. theta energy: -209.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2419.664756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.664756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.664756 (E_RNA) where: Base-Base interactions energy: -1669.996 where: short stacking energy: -718.114 Base-Backbone interact. energy: 6.503 local terms energy: -756.171858 where: bonds (distance) C4'-P energy: -144.197 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -176.325 flat angles P-C4'-P energy: -104.276 tors. eta vs tors. theta energy: -171.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1944.638820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1944.638820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1944.638820 (E_RNA) where: Base-Base interactions energy: -1319.880 where: short stacking energy: -582.810 Base-Backbone interact. energy: -2.057 local terms energy: -622.701781 where: bonds (distance) C4'-P energy: -144.493 bonds (distance) P-C4' energy: -139.946 flat angles C4'-P-C4' energy: -148.910 flat angles P-C4'-P energy: -74.223 tors. eta vs tors. theta energy: -115.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1555.654492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.654492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.654492 (E_RNA) where: Base-Base interactions energy: -1033.108 where: short stacking energy: -467.141 Base-Backbone interact. energy: 0.395 local terms energy: -522.941898 where: bonds (distance) C4'-P energy: -130.474 bonds (distance) P-C4' energy: -141.363 flat angles C4'-P-C4' energy: -119.191 flat angles P-C4'-P energy: -72.924 tors. eta vs tors. theta energy: -58.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3467.087630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3467.087630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3467.087630 (E_RNA) where: Base-Base interactions energy: -2456.132 where: short stacking energy: -1061.818 Base-Backbone interact. energy: -7.743 local terms energy: -1003.213111 where: bonds (distance) C4'-P energy: -182.299 bonds (distance) P-C4' energy: -175.883 flat angles C4'-P-C4' energy: -216.672 flat angles P-C4'-P energy: -126.051 tors. eta vs tors. theta energy: -302.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3314.399609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.399609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.399609 (E_RNA) where: Base-Base interactions energy: -2328.740 where: short stacking energy: -946.370 Base-Backbone interact. energy: -5.197 local terms energy: -980.463129 where: bonds (distance) C4'-P energy: -190.205 bonds (distance) P-C4' energy: -180.812 flat angles C4'-P-C4' energy: -201.197 flat angles P-C4'-P energy: -137.977 tors. eta vs tors. theta energy: -270.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -3169.488266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.488266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.488266 (E_RNA) where: Base-Base interactions energy: -2198.738 where: short stacking energy: -958.589 Base-Backbone interact. energy: -3.147 local terms energy: -967.602516 where: bonds (distance) C4'-P energy: -176.684 bonds (distance) P-C4' energy: -180.170 flat angles C4'-P-C4' energy: -210.345 flat angles P-C4'-P energy: -133.813 tors. eta vs tors. theta energy: -266.590 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: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -3010.834285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.834285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.834285 (E_RNA) where: Base-Base interactions energy: -2134.618 where: short stacking energy: -905.551 Base-Backbone interact. energy: -4.168 local terms energy: -872.049116 where: bonds (distance) C4'-P energy: -167.354 bonds (distance) P-C4' energy: -172.854 flat angles C4'-P-C4' energy: -186.621 flat angles P-C4'-P energy: -120.496 tors. eta vs tors. theta energy: -224.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2911.108571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.108571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.108571 (E_RNA) where: Base-Base interactions energy: -2056.976 where: short stacking energy: -835.659 Base-Backbone interact. energy: -2.580 local terms energy: -851.551928 where: bonds (distance) C4'-P energy: -161.098 bonds (distance) P-C4' energy: -166.486 flat angles C4'-P-C4' energy: -182.985 flat angles P-C4'-P energy: -112.194 tors. eta vs tors. theta energy: -228.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2670.450954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.450954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.450954 (E_RNA) where: Base-Base interactions energy: -1892.689 where: short stacking energy: -796.736 Base-Backbone interact. energy: -1.163 local terms energy: -776.599065 where: bonds (distance) C4'-P energy: -148.207 bonds (distance) P-C4' energy: -160.551 flat angles C4'-P-C4' energy: -175.144 flat angles P-C4'-P energy: -97.417 tors. eta vs tors. theta energy: -195.279 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: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2591.074449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.074449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.074449 (E_RNA) where: Base-Base interactions energy: -1797.460 where: short stacking energy: -791.314 Base-Backbone interact. energy: 0.102 local terms energy: -793.716689 where: bonds (distance) C4'-P energy: -150.804 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -170.450 flat angles P-C4'-P energy: -112.086 tors. eta vs tors. theta energy: -196.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2345.274822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.274822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.274822 (E_RNA) where: Base-Base interactions energy: -1633.197 where: short stacking energy: -711.620 Base-Backbone interact. energy: 0.994 local terms energy: -713.072346 where: bonds (distance) C4'-P energy: -157.086 bonds (distance) P-C4' energy: -163.132 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -76.330 tors. eta vs tors. theta energy: -170.009 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: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1934.153449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.153449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.153449 (E_RNA) where: Base-Base interactions energy: -1287.107 where: short stacking energy: -622.944 Base-Backbone interact. energy: -3.552 local terms energy: -643.493944 where: bonds (distance) C4'-P energy: -135.086 bonds (distance) P-C4' energy: -143.213 flat angles C4'-P-C4' energy: -140.768 flat angles P-C4'-P energy: -99.304 tors. eta vs tors. theta energy: -125.123 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: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1655.992441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.992441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.992441 (E_RNA) where: Base-Base interactions energy: -1039.719 where: short stacking energy: -472.505 Base-Backbone interact. energy: 4.185 local terms energy: -620.458329 where: bonds (distance) C4'-P energy: -138.526 bonds (distance) P-C4' energy: -163.895 flat angles C4'-P-C4' energy: -161.511 flat angles P-C4'-P energy: -94.288 tors. eta vs tors. theta energy: -62.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3487.509619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3487.509619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3487.509619 (E_RNA) where: Base-Base interactions energy: -2467.882 where: short stacking energy: -1071.037 Base-Backbone interact. energy: -2.952 local terms energy: -1016.674822 where: bonds (distance) C4'-P energy: -170.811 bonds (distance) P-C4' energy: -178.224 flat angles C4'-P-C4' energy: -218.061 flat angles P-C4'-P energy: -153.997 tors. eta vs tors. theta energy: -295.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3283.699801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.699801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.699801 (E_RNA) where: Base-Base interactions energy: -2329.726 where: short stacking energy: -944.846 Base-Backbone interact. energy: -3.515 local terms energy: -950.459361 where: bonds (distance) C4'-P energy: -176.393 bonds (distance) P-C4' energy: -165.285 flat angles C4'-P-C4' energy: -201.186 flat angles P-C4'-P energy: -145.495 tors. eta vs tors. theta energy: -262.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -3170.063861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3170.063861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3170.063861 (E_RNA) where: Base-Base interactions energy: -2195.967 where: short stacking energy: -953.392 Base-Backbone interact. energy: -4.589 local terms energy: -969.508118 where: bonds (distance) C4'-P energy: -182.265 bonds (distance) P-C4' energy: -177.303 flat angles C4'-P-C4' energy: -193.043 flat angles P-C4'-P energy: -148.071 tors. eta vs tors. theta energy: -268.826 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: 435 Temperature: 1.050000 Total energy: -2992.007793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.007793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.007793 (E_RNA) where: Base-Base interactions energy: -2114.479 where: short stacking energy: -879.634 Base-Backbone interact. energy: -0.200 local terms energy: -877.328837 where: bonds (distance) C4'-P energy: -165.430 bonds (distance) P-C4' energy: -169.573 flat angles C4'-P-C4' energy: -193.009 flat angles P-C4'-P energy: -129.183 tors. eta vs tors. theta energy: -220.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2966.954724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.954724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.954724 (E_RNA) where: Base-Base interactions energy: -2099.971 where: short stacking energy: -893.979 Base-Backbone interact. energy: -3.150 local terms energy: -863.833794 where: bonds (distance) C4'-P energy: -151.059 bonds (distance) P-C4' energy: -177.831 flat angles C4'-P-C4' energy: -177.662 flat angles P-C4'-P energy: -119.685 tors. eta vs tors. theta energy: -237.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2733.436525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.436525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.436525 (E_RNA) where: Base-Base interactions energy: -1911.234 where: short stacking energy: -811.356 Base-Backbone interact. energy: -2.779 local terms energy: -819.423552 where: bonds (distance) C4'-P energy: -154.720 bonds (distance) P-C4' energy: -159.897 flat angles C4'-P-C4' energy: -187.809 flat angles P-C4'-P energy: -117.862 tors. eta vs tors. theta energy: -199.134 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: 1 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2535.086778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.086778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.086778 (E_RNA) where: Base-Base interactions energy: -1744.245 where: short stacking energy: -759.808 Base-Backbone interact. energy: -4.539 local terms energy: -786.303707 where: bonds (distance) C4'-P energy: -152.824 bonds (distance) P-C4' energy: -148.019 flat angles C4'-P-C4' energy: -182.905 flat angles P-C4'-P energy: -108.842 tors. eta vs tors. theta energy: -193.713 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: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2401.488520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.488520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.488520 (E_RNA) where: Base-Base interactions energy: -1661.752 where: short stacking energy: -745.173 Base-Backbone interact. energy: 0.172 local terms energy: -739.908172 where: bonds (distance) C4'-P energy: -149.894 bonds (distance) P-C4' energy: -137.271 flat angles C4'-P-C4' energy: -173.223 flat angles P-C4'-P energy: -95.391 tors. eta vs tors. theta energy: -184.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1881.005636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.005636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.005636 (E_RNA) where: Base-Base interactions energy: -1251.731 where: short stacking energy: -536.396 Base-Backbone interact. energy: -0.365 local terms energy: -628.909089 where: bonds (distance) C4'-P energy: -144.019 bonds (distance) P-C4' energy: -146.669 flat angles C4'-P-C4' energy: -160.554 flat angles P-C4'-P energy: -80.615 tors. eta vs tors. theta energy: -97.053 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: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1542.626063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.626063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.626063 (E_RNA) where: Base-Base interactions energy: -969.911 where: short stacking energy: -428.651 Base-Backbone interact. energy: -2.224 local terms energy: -570.490714 where: bonds (distance) C4'-P energy: -159.028 bonds (distance) P-C4' energy: -126.608 flat angles C4'-P-C4' energy: -142.615 flat angles P-C4'-P energy: -93.425 tors. eta vs tors. theta energy: -48.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3482.506676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3482.506676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3482.506676 (E_RNA) where: Base-Base interactions energy: -2436.815 where: short stacking energy: -1035.119 Base-Backbone interact. energy: -2.801 local terms energy: -1042.890856 where: bonds (distance) C4'-P energy: -187.803 bonds (distance) P-C4' energy: -187.425 flat angles C4'-P-C4' energy: -227.365 flat angles P-C4'-P energy: -150.759 tors. eta vs tors. theta energy: -289.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3297.127449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.127449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.127449 (E_RNA) where: Base-Base interactions energy: -2389.406 where: short stacking energy: -978.522 Base-Backbone interact. energy: -3.963 local terms energy: -903.759117 where: bonds (distance) C4'-P energy: -149.629 bonds (distance) P-C4' energy: -182.674 flat angles C4'-P-C4' energy: -207.849 flat angles P-C4'-P energy: -118.484 tors. eta vs tors. theta energy: -245.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -3191.994905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.994905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.994905 (E_RNA) where: Base-Base interactions energy: -2214.517 where: short stacking energy: -974.695 Base-Backbone interact. energy: -2.035 local terms energy: -975.443727 where: bonds (distance) C4'-P energy: -176.300 bonds (distance) P-C4' energy: -164.818 flat angles C4'-P-C4' energy: -217.681 flat angles P-C4'-P energy: -148.287 tors. eta vs tors. theta energy: -268.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2951.868397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.868397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.868397 (E_RNA) where: Base-Base interactions energy: -2105.478 where: short stacking energy: -882.008 Base-Backbone interact. energy: 2.518 local terms energy: -848.907600 where: bonds (distance) C4'-P energy: -155.173 bonds (distance) P-C4' energy: -156.571 flat angles C4'-P-C4' energy: -186.503 flat angles P-C4'-P energy: -127.236 tors. eta vs tors. theta energy: -223.424 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: 436 Temperature: 1.100000 Total energy: -2921.749114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.749114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.749114 (E_RNA) where: Base-Base interactions energy: -2063.897 where: short stacking energy: -901.314 Base-Backbone interact. energy: -4.232 local terms energy: -853.619960 where: bonds (distance) C4'-P energy: -152.095 bonds (distance) P-C4' energy: -163.691 flat angles C4'-P-C4' energy: -195.060 flat angles P-C4'-P energy: -113.800 tors. eta vs tors. theta energy: -228.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2696.106436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.106436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.106436 (E_RNA) where: Base-Base interactions energy: -1875.476 where: short stacking energy: -778.993 Base-Backbone interact. energy: -4.937 local terms energy: -815.693351 where: bonds (distance) C4'-P energy: -147.171 bonds (distance) P-C4' energy: -170.609 flat angles C4'-P-C4' energy: -183.999 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -197.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2546.666705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.666705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.666705 (E_RNA) where: Base-Base interactions energy: -1773.372 where: short stacking energy: -761.731 Base-Backbone interact. energy: -0.684 local terms energy: -772.610095 where: bonds (distance) C4'-P energy: -137.627 bonds (distance) P-C4' energy: -147.746 flat angles C4'-P-C4' energy: -180.981 flat angles P-C4'-P energy: -103.699 tors. eta vs tors. theta energy: -202.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2383.601336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.601336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.601336 (E_RNA) where: Base-Base interactions energy: -1628.996 where: short stacking energy: -705.073 Base-Backbone interact. energy: 1.949 local terms energy: -756.554223 where: bonds (distance) C4'-P energy: -148.803 bonds (distance) P-C4' energy: -151.511 flat angles C4'-P-C4' energy: -187.955 flat angles P-C4'-P energy: -99.461 tors. eta vs tors. theta energy: -168.825 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: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -2001.745683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.745683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.745683 (E_RNA) where: Base-Base interactions energy: -1322.439 where: short stacking energy: -585.674 Base-Backbone interact. energy: 1.813 local terms energy: -681.119735 where: bonds (distance) C4'-P energy: -130.280 bonds (distance) P-C4' energy: -169.089 flat angles C4'-P-C4' energy: -159.633 flat angles P-C4'-P energy: -90.945 tors. eta vs tors. theta energy: -131.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1569.495113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.495113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.495113 (E_RNA) where: Base-Base interactions energy: -1031.568 where: short stacking energy: -446.004 Base-Backbone interact. energy: 5.141 local terms energy: -543.067994 where: bonds (distance) C4'-P energy: -141.399 bonds (distance) P-C4' energy: -148.931 flat angles C4'-P-C4' energy: -143.449 flat angles P-C4'-P energy: -73.492 tors. eta vs tors. theta energy: -35.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3488.618275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.618275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.618275 (E_RNA) where: Base-Base interactions energy: -2487.666 where: short stacking energy: -1064.375 Base-Backbone interact. energy: 2.678 local terms energy: -1003.629996 where: bonds (distance) C4'-P energy: -171.239 bonds (distance) P-C4' energy: -181.826 flat angles C4'-P-C4' energy: -215.960 flat angles P-C4'-P energy: -145.920 tors. eta vs tors. theta energy: -288.684 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: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3325.602052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.602052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.602052 (E_RNA) where: Base-Base interactions energy: -2365.274 where: short stacking energy: -945.790 Base-Backbone interact. energy: -7.712 local terms energy: -952.616907 where: bonds (distance) C4'-P energy: -177.402 bonds (distance) P-C4' energy: -171.894 flat angles C4'-P-C4' energy: -215.816 flat angles P-C4'-P energy: -137.627 tors. eta vs tors. theta energy: -249.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -3169.718595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.718595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.718595 (E_RNA) where: Base-Base interactions energy: -2206.065 where: short stacking energy: -966.656 Base-Backbone interact. energy: -2.833 local terms energy: -960.819791 where: bonds (distance) C4'-P energy: -167.936 bonds (distance) P-C4' energy: -174.790 flat angles C4'-P-C4' energy: -205.258 flat angles P-C4'-P energy: -136.182 tors. eta vs tors. theta energy: -276.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2981.995367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.995367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.995367 (E_RNA) where: Base-Base interactions energy: -2110.001 where: short stacking energy: -875.693 Base-Backbone interact. energy: 0.866 local terms energy: -872.859849 where: bonds (distance) C4'-P energy: -154.294 bonds (distance) P-C4' energy: -166.686 flat angles C4'-P-C4' energy: -192.374 flat angles P-C4'-P energy: -118.072 tors. eta vs tors. theta energy: -241.434 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: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2898.187796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.187796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.187796 (E_RNA) where: Base-Base interactions energy: -2022.869 where: short stacking energy: -846.630 Base-Backbone interact. energy: -4.262 local terms energy: -871.056774 where: bonds (distance) C4'-P energy: -149.397 bonds (distance) P-C4' energy: -172.030 flat angles C4'-P-C4' energy: -202.642 flat angles P-C4'-P energy: -130.079 tors. eta vs tors. theta energy: -216.908 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: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2762.195183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.195183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.195183 (E_RNA) where: Base-Base interactions energy: -1953.955 where: short stacking energy: -794.982 Base-Backbone interact. energy: 0.735 local terms energy: -808.975027 where: bonds (distance) C4'-P energy: -141.192 bonds (distance) P-C4' energy: -141.604 flat angles C4'-P-C4' energy: -196.302 flat angles P-C4'-P energy: -122.736 tors. eta vs tors. theta energy: -207.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2549.687926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.687926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.687926 (E_RNA) where: Base-Base interactions energy: -1785.543 where: short stacking energy: -770.305 Base-Backbone interact. energy: -1.478 local terms energy: -762.666274 where: bonds (distance) C4'-P energy: -159.216 bonds (distance) P-C4' energy: -137.718 flat angles C4'-P-C4' energy: -186.207 flat angles P-C4'-P energy: -100.493 tors. eta vs tors. theta energy: -179.031 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: 8 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2367.553217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.553217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.553217 (E_RNA) where: Base-Base interactions energy: -1621.756 where: short stacking energy: -719.255 Base-Backbone interact. energy: -2.978 local terms energy: -742.818311 where: bonds (distance) C4'-P energy: -116.467 bonds (distance) P-C4' energy: -151.511 flat angles C4'-P-C4' energy: -166.199 flat angles P-C4'-P energy: -117.590 tors. eta vs tors. theta energy: -191.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1991.095556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.095556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.095556 (E_RNA) where: Base-Base interactions energy: -1347.448 where: short stacking energy: -590.283 Base-Backbone interact. energy: -2.973 local terms energy: -640.674083 where: bonds (distance) C4'-P energy: -125.121 bonds (distance) P-C4' energy: -138.262 flat angles C4'-P-C4' energy: -145.881 flat angles P-C4'-P energy: -96.709 tors. eta vs tors. theta energy: -134.700 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: 437 Temperature: 1.350000 Total energy: -1586.131088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.131088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.131088 (E_RNA) where: Base-Base interactions energy: -1029.142 where: short stacking energy: -456.969 Base-Backbone interact. energy: -3.306 local terms energy: -553.682732 where: bonds (distance) C4'-P energy: -127.393 bonds (distance) P-C4' energy: -149.528 flat angles C4'-P-C4' energy: -124.365 flat angles P-C4'-P energy: -79.805 tors. eta vs tors. theta energy: -72.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3466.796741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3466.796741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3466.796741 (E_RNA) where: Base-Base interactions energy: -2434.063 where: short stacking energy: -1028.054 Base-Backbone interact. energy: -4.490 local terms energy: -1028.243678 where: bonds (distance) C4'-P energy: -181.720 bonds (distance) P-C4' energy: -185.666 flat angles C4'-P-C4' energy: -209.454 flat angles P-C4'-P energy: -146.536 tors. eta vs tors. theta energy: -304.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3340.289407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3340.289407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3340.289407 (E_RNA) where: Base-Base interactions energy: -2390.985 where: short stacking energy: -967.662 Base-Backbone interact. energy: 0.106 local terms energy: -949.410533 where: bonds (distance) C4'-P energy: -174.748 bonds (distance) P-C4' energy: -177.422 flat angles C4'-P-C4' energy: -195.115 flat angles P-C4'-P energy: -140.137 tors. eta vs tors. theta energy: -261.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -3202.563604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.563604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.563604 (E_RNA) where: Base-Base interactions energy: -2226.757 where: short stacking energy: -986.020 Base-Backbone interact. energy: -3.292 local terms energy: -972.514710 where: bonds (distance) C4'-P energy: -181.543 bonds (distance) P-C4' energy: -176.207 flat angles C4'-P-C4' energy: -208.698 flat angles P-C4'-P energy: -135.803 tors. eta vs tors. theta energy: -270.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -3047.316806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.316806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.316806 (E_RNA) where: Base-Base interactions energy: -2151.142 where: short stacking energy: -892.990 Base-Backbone interact. energy: -2.843 local terms energy: -893.331750 where: bonds (distance) C4'-P energy: -153.507 bonds (distance) P-C4' energy: -171.128 flat angles C4'-P-C4' energy: -205.904 flat angles P-C4'-P energy: -130.425 tors. eta vs tors. theta energy: -232.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2904.765451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.765451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.765451 (E_RNA) where: Base-Base interactions energy: -2057.300 where: short stacking energy: -882.924 Base-Backbone interact. energy: -1.666 local terms energy: -845.799683 where: bonds (distance) C4'-P energy: -163.343 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -187.307 flat angles P-C4'-P energy: -108.410 tors. eta vs tors. theta energy: -228.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2832.369977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.369977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.369977 (E_RNA) where: Base-Base interactions energy: -2005.915 where: short stacking energy: -823.947 Base-Backbone interact. energy: -3.021 local terms energy: -823.433688 where: bonds (distance) C4'-P energy: -149.202 bonds (distance) P-C4' energy: -146.911 flat angles C4'-P-C4' energy: -183.500 flat angles P-C4'-P energy: -130.064 tors. eta vs tors. theta energy: -213.757 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: 7, replica: 1 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2514.577895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.577895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.577895 (E_RNA) where: Base-Base interactions energy: -1758.867 where: short stacking energy: -775.978 Base-Backbone interact. energy: -1.733 local terms energy: -753.978008 where: bonds (distance) C4'-P energy: -152.786 bonds (distance) P-C4' energy: -144.138 flat angles C4'-P-C4' energy: -168.912 flat angles P-C4'-P energy: -95.843 tors. eta vs tors. theta energy: -192.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -2313.679600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.679600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.679600 (E_RNA) where: Base-Base interactions energy: -1595.998 where: short stacking energy: -710.315 Base-Backbone interact. energy: 0.821 local terms energy: -718.502670 where: bonds (distance) C4'-P energy: -139.648 bonds (distance) P-C4' energy: -143.418 flat angles C4'-P-C4' energy: -165.746 flat angles P-C4'-P energy: -102.039 tors. eta vs tors. theta energy: -167.652 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: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1975.806548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.806548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.806548 (E_RNA) where: Base-Base interactions energy: -1365.631 where: short stacking energy: -619.491 Base-Backbone interact. energy: 4.419 local terms energy: -614.594488 where: bonds (distance) C4'-P energy: -129.145 bonds (distance) P-C4' energy: -143.964 flat angles C4'-P-C4' energy: -155.999 flat angles P-C4'-P energy: -76.107 tors. eta vs tors. theta energy: -109.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1570.741604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.741604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.741604 (E_RNA) where: Base-Base interactions energy: -1022.360 where: short stacking energy: -488.457 Base-Backbone interact. energy: 0.934 local terms energy: -549.315003 where: bonds (distance) C4'-P energy: -133.725 bonds (distance) P-C4' energy: -129.902 flat angles C4'-P-C4' energy: -146.572 flat angles P-C4'-P energy: -71.406 tors. eta vs tors. theta energy: -67.710 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: 2 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3499.694896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3499.694896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3499.694896 (E_RNA) where: Base-Base interactions energy: -2478.766 where: short stacking energy: -1048.896 Base-Backbone interact. energy: -6.571 local terms energy: -1014.358044 where: bonds (distance) C4'-P energy: -193.242 bonds (distance) P-C4' energy: -188.116 flat angles C4'-P-C4' energy: -200.306 flat angles P-C4'-P energy: -140.497 tors. eta vs tors. theta energy: -292.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3294.603659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.603659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.603659 (E_RNA) where: Base-Base interactions energy: -2353.498 where: short stacking energy: -943.510 Base-Backbone interact. energy: -3.066 local terms energy: -938.038946 where: bonds (distance) C4'-P energy: -176.904 bonds (distance) P-C4' energy: -172.365 flat angles C4'-P-C4' energy: -199.266 flat angles P-C4'-P energy: -138.900 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: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -3171.493161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.493161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.493161 (E_RNA) where: Base-Base interactions energy: -2231.949 where: short stacking energy: -968.895 Base-Backbone interact. energy: -2.350 local terms energy: -937.194027 where: bonds (distance) C4'-P energy: -162.127 bonds (distance) P-C4' energy: -172.629 flat angles C4'-P-C4' energy: -194.550 flat angles P-C4'-P energy: -136.903 tors. eta vs tors. theta energy: -270.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -3020.196817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.196817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.196817 (E_RNA) where: Base-Base interactions energy: -2116.419 where: short stacking energy: -879.699 Base-Backbone interact. energy: 5.697 local terms energy: -909.474473 where: bonds (distance) C4'-P energy: -152.069 bonds (distance) P-C4' energy: -191.605 flat angles C4'-P-C4' energy: -203.614 flat angles P-C4'-P energy: -135.409 tors. eta vs tors. theta energy: -226.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2909.910169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.910169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.910169 (E_RNA) where: Base-Base interactions energy: -2075.848 where: short stacking energy: -873.627 Base-Backbone interact. energy: 0.532 local terms energy: -834.594559 where: bonds (distance) C4'-P energy: -144.295 bonds (distance) P-C4' energy: -148.068 flat angles C4'-P-C4' energy: -185.164 flat angles P-C4'-P energy: -139.642 tors. eta vs tors. theta energy: -217.426 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2763.241833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.241833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.241833 (E_RNA) where: Base-Base interactions energy: -1951.810 where: short stacking energy: -798.815 Base-Backbone interact. energy: -3.086 local terms energy: -808.345273 where: bonds (distance) C4'-P energy: -138.484 bonds (distance) P-C4' energy: -165.176 flat angles C4'-P-C4' energy: -181.242 flat angles P-C4'-P energy: -114.493 tors. eta vs tors. theta energy: -208.950 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: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2520.833937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.833937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.833937 (E_RNA) where: Base-Base interactions energy: -1771.645 where: short stacking energy: -761.006 Base-Backbone interact. energy: 5.739 local terms energy: -754.928396 where: bonds (distance) C4'-P energy: -150.976 bonds (distance) P-C4' energy: -136.101 flat angles C4'-P-C4' energy: -158.299 flat angles P-C4'-P energy: -110.032 tors. eta vs tors. theta energy: -199.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -2341.839621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.839621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.839621 (E_RNA) where: Base-Base interactions energy: -1598.384 where: short stacking energy: -692.832 Base-Backbone interact. energy: -3.959 local terms energy: -739.496518 where: bonds (distance) C4'-P energy: -144.012 bonds (distance) P-C4' energy: -151.379 flat angles C4'-P-C4' energy: -168.728 flat angles P-C4'-P energy: -105.842 tors. eta vs tors. theta energy: -169.536 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: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -2009.231054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.231054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.231054 (E_RNA) where: Base-Base interactions energy: -1335.907 where: short stacking energy: -570.182 Base-Backbone interact. energy: -0.168 local terms energy: -673.156393 where: bonds (distance) C4'-P energy: -138.824 bonds (distance) P-C4' energy: -172.354 flat angles C4'-P-C4' energy: -135.668 flat angles P-C4'-P energy: -111.172 tors. eta vs tors. theta energy: -115.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1564.984667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.984667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.984667 (E_RNA) where: Base-Base interactions energy: -988.630 where: short stacking energy: -454.293 Base-Backbone interact. energy: 1.733 local terms energy: -578.087052 where: bonds (distance) C4'-P energy: -125.182 bonds (distance) P-C4' energy: -154.484 flat angles C4'-P-C4' energy: -147.957 flat angles P-C4'-P energy: -79.987 tors. eta vs tors. theta energy: -70.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3490.471207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3490.471207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3490.471207 (E_RNA) where: Base-Base interactions energy: -2469.537 where: short stacking energy: -1050.314 Base-Backbone interact. energy: -3.914 local terms energy: -1017.020555 where: bonds (distance) C4'-P energy: -187.929 bonds (distance) P-C4' energy: -189.622 flat angles C4'-P-C4' energy: -200.415 flat angles P-C4'-P energy: -140.949 tors. eta vs tors. theta energy: -298.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3293.281708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.281708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.281708 (E_RNA) where: Base-Base interactions energy: -2372.807 where: short stacking energy: -925.178 Base-Backbone interact. energy: -3.486 local terms energy: -916.989175 where: bonds (distance) C4'-P energy: -169.266 bonds (distance) P-C4' energy: -163.543 flat angles C4'-P-C4' energy: -212.678 flat angles P-C4'-P energy: -141.663 tors. eta vs tors. theta energy: -229.840 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: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -3153.599486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.599486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.599486 (E_RNA) where: Base-Base interactions energy: -2230.865 where: short stacking energy: -983.663 Base-Backbone interact. energy: 0.655 local terms energy: -923.390311 where: bonds (distance) C4'-P energy: -152.952 bonds (distance) P-C4' energy: -175.182 flat angles C4'-P-C4' energy: -204.181 flat angles P-C4'-P energy: -135.003 tors. eta vs tors. theta energy: -256.073 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: 4 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2985.681406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.681406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.681406 (E_RNA) where: Base-Base interactions energy: -2110.448 where: short stacking energy: -882.887 Base-Backbone interact. energy: -2.028 local terms energy: -873.204984 where: bonds (distance) C4'-P energy: -160.765 bonds (distance) P-C4' energy: -179.626 flat angles C4'-P-C4' energy: -204.755 flat angles P-C4'-P energy: -102.840 tors. eta vs tors. theta energy: -225.218 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: 440 Temperature: 1.100000 Total energy: -2886.004431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.004431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.004431 (E_RNA) where: Base-Base interactions energy: -2042.993 where: short stacking energy: -848.903 Base-Backbone interact. energy: -2.405 local terms energy: -840.605937 where: bonds (distance) C4'-P energy: -164.781 bonds (distance) P-C4' energy: -163.994 flat angles C4'-P-C4' energy: -186.861 flat angles P-C4'-P energy: -113.428 tors. eta vs tors. theta energy: -211.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2782.881397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.881397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.881397 (E_RNA) where: Base-Base interactions energy: -1988.851 where: short stacking energy: -804.689 Base-Backbone interact. energy: -1.736 local terms energy: -792.294869 where: bonds (distance) C4'-P energy: -155.583 bonds (distance) P-C4' energy: -159.183 flat angles C4'-P-C4' energy: -180.730 flat angles P-C4'-P energy: -107.932 tors. eta vs tors. theta energy: -188.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2554.944526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.944526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.944526 (E_RNA) where: Base-Base interactions energy: -1768.161 where: short stacking energy: -784.801 Base-Backbone interact. energy: -2.157 local terms energy: -784.627365 where: bonds (distance) C4'-P energy: -159.081 bonds (distance) P-C4' energy: -159.198 flat angles C4'-P-C4' energy: -168.929 flat angles P-C4'-P energy: -98.517 tors. eta vs tors. theta energy: -198.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2359.963459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.963459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.963459 (E_RNA) where: Base-Base interactions energy: -1630.004 where: short stacking energy: -699.064 Base-Backbone interact. energy: 1.280 local terms energy: -731.239348 where: bonds (distance) C4'-P energy: -128.110 bonds (distance) P-C4' energy: -158.820 flat angles C4'-P-C4' energy: -176.261 flat angles P-C4'-P energy: -111.400 tors. eta vs tors. theta energy: -156.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1965.841819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.841819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.841819 (E_RNA) where: Base-Base interactions energy: -1337.928 where: short stacking energy: -596.123 Base-Backbone interact. energy: -2.623 local terms energy: -625.290671 where: bonds (distance) C4'-P energy: -127.091 bonds (distance) P-C4' energy: -142.663 flat angles C4'-P-C4' energy: -132.900 flat angles P-C4'-P energy: -85.246 tors. eta vs tors. theta energy: -137.390 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: 440 Temperature: 1.350000 Total energy: -1574.746652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.746652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.746652 (E_RNA) where: Base-Base interactions energy: -1016.894 where: short stacking energy: -463.557 Base-Backbone interact. energy: 2.985 local terms energy: -560.837635 where: bonds (distance) C4'-P energy: -146.341 bonds (distance) P-C4' energy: -125.880 flat angles C4'-P-C4' energy: -156.961 flat angles P-C4'-P energy: -67.754 tors. eta vs tors. theta energy: -63.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3498.807454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3498.807454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3498.807454 (E_RNA) where: Base-Base interactions energy: -2476.260 where: short stacking energy: -1073.300 Base-Backbone interact. energy: -5.700 local terms energy: -1016.847403 where: bonds (distance) C4'-P energy: -163.440 bonds (distance) P-C4' energy: -182.435 flat angles C4'-P-C4' energy: -216.947 flat angles P-C4'-P energy: -151.720 tors. eta vs tors. theta energy: -302.305 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: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3275.838701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.838701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.838701 (E_RNA) where: Base-Base interactions energy: -2309.764 where: short stacking energy: -948.674 Base-Backbone interact. energy: -3.689 local terms energy: -962.385880 where: bonds (distance) C4'-P energy: -166.636 bonds (distance) P-C4' energy: -197.199 flat angles C4'-P-C4' energy: -205.824 flat angles P-C4'-P energy: -139.328 tors. eta vs tors. theta energy: -253.398 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: 3, replica: 9 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -3242.003786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3242.003786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3242.003786 (E_RNA) where: Base-Base interactions energy: -2261.219 where: short stacking energy: -1021.873 Base-Backbone interact. energy: -2.032 local terms energy: -978.752321 where: bonds (distance) C4'-P energy: -179.068 bonds (distance) P-C4' energy: -173.619 flat angles C4'-P-C4' energy: -206.599 flat angles P-C4'-P energy: -133.535 tors. eta vs tors. theta energy: -285.931 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: 4 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -3033.262035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.262035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.262035 (E_RNA) where: Base-Base interactions energy: -2124.861 where: short stacking energy: -908.790 Base-Backbone interact. energy: -3.102 local terms energy: -905.298979 where: bonds (distance) C4'-P energy: -171.119 bonds (distance) P-C4' energy: -156.506 flat angles C4'-P-C4' energy: -201.743 flat angles P-C4'-P energy: -122.629 tors. eta vs tors. theta energy: -253.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2890.838289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.838289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.838289 (E_RNA) where: Base-Base interactions energy: -2054.073 where: short stacking energy: -850.151 Base-Backbone interact. energy: 1.536 local terms energy: -838.301873 where: bonds (distance) C4'-P energy: -157.456 bonds (distance) P-C4' energy: -164.868 flat angles C4'-P-C4' energy: -180.596 flat angles P-C4'-P energy: -123.588 tors. eta vs tors. theta energy: -211.793 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: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2787.304075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.304075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.304075 (E_RNA) where: Base-Base interactions energy: -1993.701 where: short stacking energy: -803.035 Base-Backbone interact. energy: 1.262 local terms energy: -794.864602 where: bonds (distance) C4'-P energy: -158.043 bonds (distance) P-C4' energy: -142.784 flat angles C4'-P-C4' energy: -184.221 flat angles P-C4'-P energy: -109.522 tors. eta vs tors. theta energy: -200.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2501.591764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.591764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.591764 (E_RNA) where: Base-Base interactions energy: -1690.740 where: short stacking energy: -739.040 Base-Backbone interact. energy: 1.182 local terms energy: -812.033969 where: bonds (distance) C4'-P energy: -157.211 bonds (distance) P-C4' energy: -177.186 flat angles C4'-P-C4' energy: -176.531 flat angles P-C4'-P energy: -111.087 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: 8, replica: 8 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -2353.752937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.752937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.752937 (E_RNA) where: Base-Base interactions energy: -1652.090 where: short stacking energy: -693.805 Base-Backbone interact. energy: -1.724 local terms energy: -699.938980 where: bonds (distance) C4'-P energy: -163.075 bonds (distance) P-C4' energy: -140.851 flat angles C4'-P-C4' energy: -167.084 flat angles P-C4'-P energy: -73.277 tors. eta vs tors. theta energy: -155.652 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: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1999.963913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.963913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.963913 (E_RNA) where: Base-Base interactions energy: -1378.855 where: short stacking energy: -599.339 Base-Backbone interact. energy: -0.658 local terms energy: -620.451282 where: bonds (distance) C4'-P energy: -135.947 bonds (distance) P-C4' energy: -157.463 flat angles C4'-P-C4' energy: -132.621 flat angles P-C4'-P energy: -77.128 tors. eta vs tors. theta energy: -117.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1603.542732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.542732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.542732 (E_RNA) where: Base-Base interactions energy: -1039.492 where: short stacking energy: -468.454 Base-Backbone interact. energy: -1.167 local terms energy: -562.883701 where: bonds (distance) C4'-P energy: -156.781 bonds (distance) P-C4' energy: -148.059 flat angles C4'-P-C4' energy: -136.587 flat angles P-C4'-P energy: -69.005 tors. eta vs tors. theta energy: -52.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3486.623962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3486.623962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3486.623962 (E_RNA) where: Base-Base interactions energy: -2446.772 where: short stacking energy: -1045.749 Base-Backbone interact. energy: -9.489 local terms energy: -1030.362922 where: bonds (distance) C4'-P energy: -190.520 bonds (distance) P-C4' energy: -192.776 flat angles C4'-P-C4' energy: -207.645 flat angles P-C4'-P energy: -143.933 tors. eta vs tors. theta energy: -295.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3327.357963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.357963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.357963 (E_RNA) where: Base-Base interactions energy: -2378.400 where: short stacking energy: -951.664 Base-Backbone interact. energy: -5.920 local terms energy: -943.037090 where: bonds (distance) C4'-P energy: -165.591 bonds (distance) P-C4' energy: -175.466 flat angles C4'-P-C4' energy: -203.021 flat angles P-C4'-P energy: -144.137 tors. eta vs tors. theta energy: -254.821 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: 442 Temperature: 1.000000 Total energy: -3183.722418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.722418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.722418 (E_RNA) where: Base-Base interactions energy: -2210.381 where: short stacking energy: -978.514 Base-Backbone interact. energy: -0.462 local terms energy: -972.879914 where: bonds (distance) C4'-P energy: -175.801 bonds (distance) P-C4' energy: -172.610 flat angles C4'-P-C4' energy: -202.049 flat angles P-C4'-P energy: -141.721 tors. eta vs tors. theta energy: -280.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -3031.480599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.480599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.480599 (E_RNA) where: Base-Base interactions energy: -2151.325 where: short stacking energy: -888.123 Base-Backbone interact. energy: -2.055 local terms energy: -878.101065 where: bonds (distance) C4'-P energy: -143.623 bonds (distance) P-C4' energy: -179.397 flat angles C4'-P-C4' energy: -201.118 flat angles P-C4'-P energy: -119.194 tors. eta vs tors. theta energy: -234.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2920.235815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.235815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.235815 (E_RNA) where: Base-Base interactions energy: -2093.000 where: short stacking energy: -848.067 Base-Backbone interact. energy: -4.140 local terms energy: -823.095284 where: bonds (distance) C4'-P energy: -151.977 bonds (distance) P-C4' energy: -147.072 flat angles C4'-P-C4' energy: -187.480 flat angles P-C4'-P energy: -124.316 tors. eta vs tors. theta energy: -212.250 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: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2751.107384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.107384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.107384 (E_RNA) where: Base-Base interactions energy: -1970.824 where: short stacking energy: -800.740 Base-Backbone interact. energy: 1.606 local terms energy: -781.889601 where: bonds (distance) C4'-P energy: -172.583 bonds (distance) P-C4' energy: -160.435 flat angles C4'-P-C4' energy: -179.243 flat angles P-C4'-P energy: -90.637 tors. eta vs tors. theta energy: -178.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2549.792599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.792599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.792599 (E_RNA) where: Base-Base interactions energy: -1786.489 where: short stacking energy: -730.590 Base-Backbone interact. energy: 1.221 local terms energy: -764.524799 where: bonds (distance) C4'-P energy: -157.999 bonds (distance) P-C4' energy: -145.375 flat angles C4'-P-C4' energy: -173.847 flat angles P-C4'-P energy: -107.069 tors. eta vs tors. theta energy: -180.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -2320.744949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.744949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.744949 (E_RNA) where: Base-Base interactions energy: -1578.382 where: short stacking energy: -705.042 Base-Backbone interact. energy: 3.089 local terms energy: -745.452497 where: bonds (distance) C4'-P energy: -156.382 bonds (distance) P-C4' energy: -141.171 flat angles C4'-P-C4' energy: -166.301 flat angles P-C4'-P energy: -122.702 tors. eta vs tors. theta energy: -158.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1967.734432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.734432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.734432 (E_RNA) where: Base-Base interactions energy: -1337.707 where: short stacking energy: -601.288 Base-Backbone interact. energy: -3.576 local terms energy: -626.451544 where: bonds (distance) C4'-P energy: -127.715 bonds (distance) P-C4' energy: -152.513 flat angles C4'-P-C4' energy: -153.270 flat angles P-C4'-P energy: -78.004 tors. eta vs tors. theta energy: -114.949 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1569.750533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.750533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.750533 (E_RNA) where: Base-Base interactions energy: -1024.629 where: short stacking energy: -436.851 Base-Backbone interact. energy: 4.810 local terms energy: -549.932329 where: bonds (distance) C4'-P energy: -116.666 bonds (distance) P-C4' energy: -142.200 flat angles C4'-P-C4' energy: -140.949 flat angles P-C4'-P energy: -102.003 tors. eta vs tors. theta energy: -48.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3472.628092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3472.628092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3472.628092 (E_RNA) where: Base-Base interactions energy: -2471.267 where: short stacking energy: -1055.430 Base-Backbone interact. energy: -1.838 local terms energy: -999.522948 where: bonds (distance) C4'-P energy: -188.401 bonds (distance) P-C4' energy: -185.680 flat angles C4'-P-C4' energy: -210.011 flat angles P-C4'-P energy: -139.119 tors. eta vs tors. theta energy: -276.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3288.672012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.672012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.672012 (E_RNA) where: Base-Base interactions energy: -2369.492 where: short stacking energy: -947.190 Base-Backbone interact. energy: -6.145 local terms energy: -913.034884 where: bonds (distance) C4'-P energy: -158.842 bonds (distance) P-C4' energy: -168.562 flat angles C4'-P-C4' energy: -194.189 flat angles P-C4'-P energy: -134.523 tors. eta vs tors. theta energy: -256.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -3182.420533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.420533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.420533 (E_RNA) where: Base-Base interactions energy: -2216.071 where: short stacking energy: -993.436 Base-Backbone interact. energy: -4.080 local terms energy: -962.269637 where: bonds (distance) C4'-P energy: -165.776 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -206.860 flat angles P-C4'-P energy: -136.816 tors. eta vs tors. theta energy: -280.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -3069.058351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.058351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.058351 (E_RNA) where: Base-Base interactions energy: -2190.757 where: short stacking energy: -902.298 Base-Backbone interact. energy: -1.061 local terms energy: -877.240827 where: bonds (distance) C4'-P energy: -164.980 bonds (distance) P-C4' energy: -162.287 flat angles C4'-P-C4' energy: -206.200 flat angles P-C4'-P energy: -111.833 tors. eta vs tors. theta energy: -231.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2901.245853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.245853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.245853 (E_RNA) where: Base-Base interactions energy: -2027.353 where: short stacking energy: -837.842 Base-Backbone interact. energy: -3.267 local terms energy: -870.625950 where: bonds (distance) C4'-P energy: -164.919 bonds (distance) P-C4' energy: -168.059 flat angles C4'-P-C4' energy: -198.344 flat angles P-C4'-P energy: -114.674 tors. eta vs tors. theta energy: -224.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2761.468591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.468591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.468591 (E_RNA) where: Base-Base interactions energy: -1972.978 where: short stacking energy: -821.750 Base-Backbone interact. energy: -0.642 local terms energy: -787.848737 where: bonds (distance) C4'-P energy: -139.561 bonds (distance) P-C4' energy: -166.815 flat angles C4'-P-C4' energy: -172.318 flat angles P-C4'-P energy: -110.104 tors. eta vs tors. theta energy: -199.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2421.633077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.633077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.633077 (E_RNA) where: Base-Base interactions energy: -1631.729 where: short stacking energy: -702.002 Base-Backbone interact. energy: 1.244 local terms energy: -791.148424 where: bonds (distance) C4'-P energy: -150.529 bonds (distance) P-C4' energy: -173.901 flat angles C4'-P-C4' energy: -187.672 flat angles P-C4'-P energy: -105.601 tors. eta vs tors. theta energy: -173.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2318.488495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.488495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.488495 (E_RNA) where: Base-Base interactions energy: -1573.786 where: short stacking energy: -694.156 Base-Backbone interact. energy: 1.242 local terms energy: -745.944607 where: bonds (distance) C4'-P energy: -128.684 bonds (distance) P-C4' energy: -172.244 flat angles C4'-P-C4' energy: -175.802 flat angles P-C4'-P energy: -106.794 tors. eta vs tors. theta energy: -162.421 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: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1965.372046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.372046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.372046 (E_RNA) where: Base-Base interactions energy: -1321.838 where: short stacking energy: -605.284 Base-Backbone interact. energy: -0.563 local terms energy: -642.971027 where: bonds (distance) C4'-P energy: -126.151 bonds (distance) P-C4' energy: -155.571 flat angles C4'-P-C4' energy: -151.780 flat angles P-C4'-P energy: -101.097 tors. eta vs tors. theta energy: -108.371 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: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1627.963794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.963794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.963794 (E_RNA) where: Base-Base interactions energy: -1060.865 where: short stacking energy: -476.559 Base-Backbone interact. energy: -2.099 local terms energy: -565.000426 where: bonds (distance) C4'-P energy: -130.506 bonds (distance) P-C4' energy: -137.374 flat angles C4'-P-C4' energy: -148.693 flat angles P-C4'-P energy: -83.250 tors. eta vs tors. theta energy: -65.177 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: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -3488.888427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3488.888427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3488.888427 (E_RNA) where: Base-Base interactions energy: -2462.767 where: short stacking energy: -1058.817 Base-Backbone interact. energy: -5.386 local terms energy: -1020.734776 where: bonds (distance) C4'-P energy: -174.529 bonds (distance) P-C4' energy: -184.320 flat angles C4'-P-C4' energy: -222.050 flat angles P-C4'-P energy: -148.979 tors. eta vs tors. theta energy: -290.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3365.143663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.143663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.143663 (E_RNA) where: Base-Base interactions energy: -2369.839 where: short stacking energy: -970.176 Base-Backbone interact. energy: -10.895 local terms energy: -984.408771 where: bonds (distance) C4'-P energy: -186.100 bonds (distance) P-C4' energy: -193.061 flat angles C4'-P-C4' energy: -208.209 flat angles P-C4'-P energy: -136.162 tors. eta vs tors. theta energy: -260.877 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: 9 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -3200.844087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.844087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.844087 (E_RNA) where: Base-Base interactions energy: -2220.503 where: short stacking energy: -1007.034 Base-Backbone interact. energy: -3.109 local terms energy: -977.231428 where: bonds (distance) C4'-P energy: -174.459 bonds (distance) P-C4' energy: -181.481 flat angles C4'-P-C4' energy: -201.467 flat angles P-C4'-P energy: -141.366 tors. eta vs tors. theta energy: -278.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -3053.845695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.845695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.845695 (E_RNA) where: Base-Base interactions energy: -2174.193 where: short stacking energy: -895.654 Base-Backbone interact. energy: 3.414 local terms energy: -883.065899 where: bonds (distance) C4'-P energy: -148.932 bonds (distance) P-C4' energy: -170.144 flat angles C4'-P-C4' energy: -196.018 flat angles P-C4'-P energy: -135.954 tors. eta vs tors. theta energy: -232.017 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: 444 Temperature: 1.100000 Total energy: -2833.665395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.665395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.665395 (E_RNA) where: Base-Base interactions energy: -1993.848 where: short stacking energy: -822.482 Base-Backbone interact. energy: -7.054 local terms energy: -832.763311 where: bonds (distance) C4'-P energy: -153.903 bonds (distance) P-C4' energy: -176.157 flat angles C4'-P-C4' energy: -199.146 flat angles P-C4'-P energy: -124.731 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: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2699.915290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.915290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.915290 (E_RNA) where: Base-Base interactions energy: -1925.822 where: short stacking energy: -803.151 Base-Backbone interact. energy: 1.792 local terms energy: -775.884820 where: bonds (distance) C4'-P energy: -126.976 bonds (distance) P-C4' energy: -139.548 flat angles C4'-P-C4' energy: -177.882 flat angles P-C4'-P energy: -128.649 tors. eta vs tors. theta energy: -202.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2443.904711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.904711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.904711 (E_RNA) where: Base-Base interactions energy: -1696.919 where: short stacking energy: -720.769 Base-Backbone interact. energy: -5.861 local terms energy: -741.125184 where: bonds (distance) C4'-P energy: -139.085 bonds (distance) P-C4' energy: -149.982 flat angles C4'-P-C4' energy: -171.314 flat angles P-C4'-P energy: -111.762 tors. eta vs tors. theta energy: -168.982 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: 444 Temperature: 1.250000 Total energy: -2404.578686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2404.578686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2404.578686 (E_RNA) where: Base-Base interactions energy: -1675.832 where: short stacking energy: -707.827 Base-Backbone interact. energy: -2.563 local terms energy: -726.183489 where: bonds (distance) C4'-P energy: -132.491 bonds (distance) P-C4' energy: -152.758 flat angles C4'-P-C4' energy: -150.544 flat angles P-C4'-P energy: -119.362 tors. eta vs tors. theta energy: -171.029 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1922.285454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.285454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.285454 (E_RNA) where: Base-Base interactions energy: -1267.020 where: short stacking energy: -559.410 Base-Backbone interact. energy: -1.323 local terms energy: -653.942876 where: bonds (distance) C4'-P energy: -148.457 bonds (distance) P-C4' energy: -142.841 flat angles C4'-P-C4' energy: -162.066 flat angles P-C4'-P energy: -84.626 tors. eta vs tors. theta energy: -115.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1523.624467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.624467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.624467 (E_RNA) where: Base-Base interactions energy: -967.787 where: short stacking energy: -461.685 Base-Backbone interact. energy: 2.555 local terms energy: -558.392894 where: bonds (distance) C4'-P energy: -162.182 bonds (distance) P-C4' energy: -146.381 flat angles C4'-P-C4' energy: -134.386 flat angles P-C4'-P energy: -51.168 tors. eta vs tors. theta energy: -64.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3470.669018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3470.669018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3470.669018 (E_RNA) where: Base-Base interactions energy: -2492.957 where: short stacking energy: -1048.380 Base-Backbone interact. energy: 2.839 local terms energy: -980.551099 where: bonds (distance) C4'-P energy: -170.326 bonds (distance) P-C4' energy: -163.830 flat angles C4'-P-C4' energy: -214.061 flat angles P-C4'-P energy: -151.137 tors. eta vs tors. theta energy: -281.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3298.690635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.690635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.690635 (E_RNA) where: Base-Base interactions energy: -2323.459 where: short stacking energy: -961.597 Base-Backbone interact. energy: -8.231 local terms energy: -967.000644 where: bonds (distance) C4'-P energy: -182.746 bonds (distance) P-C4' energy: -177.206 flat angles C4'-P-C4' energy: -208.054 flat angles P-C4'-P energy: -133.457 tors. eta vs tors. theta energy: -265.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -3217.386315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.386315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.386315 (E_RNA) where: Base-Base interactions energy: -2265.918 where: short stacking energy: -993.537 Base-Backbone interact. energy: 1.995 local terms energy: -953.463527 where: bonds (distance) C4'-P energy: -170.948 bonds (distance) P-C4' energy: -168.867 flat angles C4'-P-C4' energy: -207.126 flat angles P-C4'-P energy: -135.528 tors. eta vs tors. theta energy: -270.994 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: 4, replica: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -3092.707048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.707048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.707048 (E_RNA) where: Base-Base interactions energy: -2182.437 where: short stacking energy: -913.028 Base-Backbone interact. energy: -5.715 local terms energy: -904.555107 where: bonds (distance) C4'-P energy: -158.375 bonds (distance) P-C4' energy: -182.882 flat angles C4'-P-C4' energy: -203.050 flat angles P-C4'-P energy: -128.867 tors. eta vs tors. theta energy: -231.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2932.205673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.205673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.205673 (E_RNA) where: Base-Base interactions energy: -2110.725 where: short stacking energy: -864.360 Base-Backbone interact. energy: -5.409 local terms energy: -816.071763 where: bonds (distance) C4'-P energy: -157.936 bonds (distance) P-C4' energy: -163.616 flat angles C4'-P-C4' energy: -178.756 flat angles P-C4'-P energy: -103.417 tors. eta vs tors. theta energy: -212.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2708.253712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.253712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.253712 (E_RNA) where: Base-Base interactions energy: -1931.238 where: short stacking energy: -797.135 Base-Backbone interact. energy: -1.311 local terms energy: -775.704918 where: bonds (distance) C4'-P energy: -131.182 bonds (distance) P-C4' energy: -158.814 flat angles C4'-P-C4' energy: -169.058 flat angles P-C4'-P energy: -115.420 tors. eta vs tors. theta energy: -201.232 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: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2445.621531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.621531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.621531 (E_RNA) where: Base-Base interactions energy: -1661.241 where: short stacking energy: -722.821 Base-Backbone interact. energy: 0.090 local terms energy: -784.470826 where: bonds (distance) C4'-P energy: -157.693 bonds (distance) P-C4' energy: -152.894 flat angles C4'-P-C4' energy: -176.628 flat angles P-C4'-P energy: -115.991 tors. eta vs tors. theta energy: -181.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2419.332175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2419.332175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2419.332175 (E_RNA) where: Base-Base interactions energy: -1694.368 where: short stacking energy: -732.176 Base-Backbone interact. energy: -3.544 local terms energy: -721.419993 where: bonds (distance) C4'-P energy: -140.265 bonds (distance) P-C4' energy: -163.970 flat angles C4'-P-C4' energy: -158.543 flat angles P-C4'-P energy: -96.327 tors. eta vs tors. theta energy: -162.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1925.244704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.244704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.244704 (E_RNA) where: Base-Base interactions energy: -1274.393 where: short stacking energy: -568.750 Base-Backbone interact. energy: 1.040 local terms energy: -651.892263 where: bonds (distance) C4'-P energy: -136.896 bonds (distance) P-C4' energy: -166.290 flat angles C4'-P-C4' energy: -149.860 flat angles P-C4'-P energy: -85.878 tors. eta vs tors. theta energy: -112.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1585.816073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.816073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.816073 (E_RNA) where: Base-Base interactions energy: -1064.169 where: short stacking energy: -432.463 Base-Backbone interact. energy: 15.605 local terms energy: -537.252076 where: bonds (distance) C4'-P energy: -120.963 bonds (distance) P-C4' energy: -154.412 flat angles C4'-P-C4' energy: -144.535 flat angles P-C4'-P energy: -82.227 tors. eta vs tors. theta energy: -35.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3485.476159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.476159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.476159 (E_RNA) where: Base-Base interactions energy: -2476.704 where: short stacking energy: -1069.281 Base-Backbone interact. energy: -0.967 local terms energy: -1007.805634 where: bonds (distance) C4'-P energy: -170.391 bonds (distance) P-C4' energy: -185.390 flat angles C4'-P-C4' energy: -225.491 flat angles P-C4'-P energy: -145.439 tors. eta vs tors. theta energy: -281.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3329.780783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.780783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.780783 (E_RNA) where: Base-Base interactions energy: -2374.584 where: short stacking energy: -957.503 Base-Backbone interact. energy: -0.360 local terms energy: -954.836682 where: bonds (distance) C4'-P energy: -178.278 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -203.662 flat angles P-C4'-P energy: -149.259 tors. eta vs tors. theta energy: -265.356 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: 3, replica: 9 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -3201.633669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.633669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.633669 (E_RNA) where: Base-Base interactions energy: -2228.026 where: short stacking energy: -970.395 Base-Backbone interact. energy: -3.593 local terms energy: -970.015319 where: bonds (distance) C4'-P energy: -168.630 bonds (distance) P-C4' energy: -194.693 flat angles C4'-P-C4' energy: -205.166 flat angles P-C4'-P energy: -136.439 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: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -3015.664791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.664791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.664791 (E_RNA) where: Base-Base interactions energy: -2134.171 where: short stacking energy: -886.979 Base-Backbone interact. energy: 0.652 local terms energy: -882.145869 where: bonds (distance) C4'-P energy: -142.982 bonds (distance) P-C4' energy: -194.073 flat angles C4'-P-C4' energy: -194.216 flat angles P-C4'-P energy: -122.520 tors. eta vs tors. theta energy: -228.355 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: 7 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2880.529325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.529325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.529325 (E_RNA) where: Base-Base interactions energy: -2048.629 where: short stacking energy: -873.834 Base-Backbone interact. energy: -6.703 local terms energy: -825.197723 where: bonds (distance) C4'-P energy: -152.161 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -190.343 flat angles P-C4'-P energy: -120.592 tors. eta vs tors. theta energy: -211.371 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: 5 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2713.344632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.344632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.344632 (E_RNA) where: Base-Base interactions energy: -1944.248 where: short stacking energy: -800.749 Base-Backbone interact. energy: -0.986 local terms energy: -768.110935 where: bonds (distance) C4'-P energy: -141.763 bonds (distance) P-C4' energy: -153.527 flat angles C4'-P-C4' energy: -157.363 flat angles P-C4'-P energy: -110.195 tors. eta vs tors. theta energy: -205.263 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: 7, replica: 1 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2565.918170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.918170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.918170 (E_RNA) where: Base-Base interactions energy: -1759.561 where: short stacking energy: -720.857 Base-Backbone interact. energy: -4.934 local terms energy: -801.423485 where: bonds (distance) C4'-P energy: -176.583 bonds (distance) P-C4' energy: -163.528 flat angles C4'-P-C4' energy: -175.219 flat angles P-C4'-P energy: -105.095 tors. eta vs tors. theta energy: -180.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2302.101890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.101890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.101890 (E_RNA) where: Base-Base interactions energy: -1582.120 where: short stacking energy: -673.677 Base-Backbone interact. energy: -2.589 local terms energy: -717.392423 where: bonds (distance) C4'-P energy: -150.647 bonds (distance) P-C4' energy: -137.651 flat angles C4'-P-C4' energy: -162.122 flat angles P-C4'-P energy: -104.314 tors. eta vs tors. theta energy: -162.658 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: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1951.833073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.833073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.833073 (E_RNA) where: Base-Base interactions energy: -1283.555 where: short stacking energy: -545.082 Base-Backbone interact. energy: 2.216 local terms energy: -670.494963 where: bonds (distance) C4'-P energy: -137.232 bonds (distance) P-C4' energy: -130.122 flat angles C4'-P-C4' energy: -173.248 flat angles P-C4'-P energy: -94.123 tors. eta vs tors. theta energy: -135.770 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: 446 Temperature: 1.350000 Total energy: -1613.271768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.271768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.271768 (E_RNA) where: Base-Base interactions energy: -1049.455 where: short stacking energy: -485.124 Base-Backbone interact. energy: 0.014 local terms energy: -563.830143 where: bonds (distance) C4'-P energy: -169.782 bonds (distance) P-C4' energy: -141.392 flat angles C4'-P-C4' energy: -135.427 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -55.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3454.231333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.231333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.231333 (E_RNA) where: Base-Base interactions energy: -2458.425 where: short stacking energy: -1023.895 Base-Backbone interact. energy: 0.310 local terms energy: -996.116036 where: bonds (distance) C4'-P energy: -160.897 bonds (distance) P-C4' energy: -192.545 flat angles C4'-P-C4' energy: -214.594 flat angles P-C4'-P energy: -149.916 tors. eta vs tors. theta energy: -278.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3308.339537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3308.339537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3308.339537 (E_RNA) where: Base-Base interactions energy: -2367.000 where: short stacking energy: -939.912 Base-Backbone interact. energy: -7.123 local terms energy: -934.216552 where: bonds (distance) C4'-P energy: -166.538 bonds (distance) P-C4' energy: -180.225 flat angles C4'-P-C4' energy: -201.040 flat angles P-C4'-P energy: -134.322 tors. eta vs tors. theta energy: -252.091 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: 9 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -3162.783044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.783044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.783044 (E_RNA) where: Base-Base interactions energy: -2215.261 where: short stacking energy: -993.261 Base-Backbone interact. energy: -3.802 local terms energy: -943.719348 where: bonds (distance) C4'-P energy: -171.246 bonds (distance) P-C4' energy: -160.033 flat angles C4'-P-C4' energy: -204.413 flat angles P-C4'-P energy: -137.007 tors. eta vs tors. theta energy: -271.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -3060.462989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.462989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.462989 (E_RNA) where: Base-Base interactions energy: -2171.731 where: short stacking energy: -874.576 Base-Backbone interact. energy: -1.214 local terms energy: -887.518498 where: bonds (distance) C4'-P energy: -176.514 bonds (distance) P-C4' energy: -174.202 flat angles C4'-P-C4' energy: -185.564 flat angles P-C4'-P energy: -121.606 tors. eta vs tors. theta energy: -229.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2922.676286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.676286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.676286 (E_RNA) where: Base-Base interactions energy: -2106.149 where: short stacking energy: -856.274 Base-Backbone interact. energy: -1.617 local terms energy: -814.909814 where: bonds (distance) C4'-P energy: -147.034 bonds (distance) P-C4' energy: -154.793 flat angles C4'-P-C4' energy: -188.075 flat angles P-C4'-P energy: -109.659 tors. eta vs tors. theta energy: -215.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2781.658007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.658007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.658007 (E_RNA) where: Base-Base interactions energy: -1956.192 where: short stacking energy: -830.080 Base-Backbone interact. energy: -2.686 local terms energy: -822.780217 where: bonds (distance) C4'-P energy: -147.103 bonds (distance) P-C4' energy: -156.391 flat angles C4'-P-C4' energy: -193.790 flat angles P-C4'-P energy: -105.162 tors. eta vs tors. theta energy: -220.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2476.336879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.336879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.336879 (E_RNA) where: Base-Base interactions energy: -1687.791 where: short stacking energy: -728.166 Base-Backbone interact. energy: 0.907 local terms energy: -789.452193 where: bonds (distance) C4'-P energy: -138.533 bonds (distance) P-C4' energy: -181.194 flat angles C4'-P-C4' energy: -174.709 flat angles P-C4'-P energy: -111.099 tors. eta vs tors. theta energy: -183.916 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: 447 Temperature: 1.250000 Total energy: -2234.245412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2234.245412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2234.245412 (E_RNA) where: Base-Base interactions energy: -1519.410 where: short stacking energy: -668.502 Base-Backbone interact. energy: -6.002 local terms energy: -708.833029 where: bonds (distance) C4'-P energy: -151.246 bonds (distance) P-C4' energy: -152.346 flat angles C4'-P-C4' energy: -153.938 flat angles P-C4'-P energy: -110.876 tors. eta vs tors. theta energy: -140.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1933.666844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.666844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.666844 (E_RNA) where: Base-Base interactions energy: -1303.855 where: short stacking energy: -543.754 Base-Backbone interact. energy: -0.762 local terms energy: -629.050065 where: bonds (distance) C4'-P energy: -135.075 bonds (distance) P-C4' energy: -155.334 flat angles C4'-P-C4' energy: -132.970 flat angles P-C4'-P energy: -96.400 tors. eta vs tors. theta energy: -109.270 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: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1568.871306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.871306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.871306 (E_RNA) where: Base-Base interactions energy: -1027.635 where: short stacking energy: -447.754 Base-Backbone interact. energy: -3.693 local terms energy: -537.543093 where: bonds (distance) C4'-P energy: -142.295 bonds (distance) P-C4' energy: -133.228 flat angles C4'-P-C4' energy: -128.839 flat angles P-C4'-P energy: -74.259 tors. eta vs tors. theta energy: -58.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3448.291332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3448.291332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3448.291332 (E_RNA) where: Base-Base interactions energy: -2446.320 where: short stacking energy: -1061.164 Base-Backbone interact. energy: -2.315 local terms energy: -999.656252 where: bonds (distance) C4'-P energy: -188.450 bonds (distance) P-C4' energy: -169.087 flat angles C4'-P-C4' energy: -213.085 flat angles P-C4'-P energy: -145.179 tors. eta vs tors. theta energy: -283.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3273.219726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.219726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.219726 (E_RNA) where: Base-Base interactions energy: -2350.944 where: short stacking energy: -952.951 Base-Backbone interact. energy: -7.498 local terms energy: -914.777742 where: bonds (distance) C4'-P energy: -166.512 bonds (distance) P-C4' energy: -174.702 flat angles C4'-P-C4' energy: -180.517 flat angles P-C4'-P energy: -146.062 tors. eta vs tors. theta energy: -246.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -3172.802158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.802158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.802158 (E_RNA) where: Base-Base interactions energy: -2207.143 where: short stacking energy: -984.371 Base-Backbone interact. energy: -3.392 local terms energy: -962.267418 where: bonds (distance) C4'-P energy: -178.279 bonds (distance) P-C4' energy: -175.747 flat angles C4'-P-C4' energy: -196.235 flat angles P-C4'-P energy: -135.019 tors. eta vs tors. theta energy: -276.987 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: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -3054.490601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.490601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.490601 (E_RNA) where: Base-Base interactions energy: -2191.865 where: short stacking energy: -927.284 Base-Backbone interact. energy: -0.332 local terms energy: -862.294524 where: bonds (distance) C4'-P energy: -161.725 bonds (distance) P-C4' energy: -164.738 flat angles C4'-P-C4' energy: -186.649 flat angles P-C4'-P energy: -107.859 tors. eta vs tors. theta energy: -241.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2937.913002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.913002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.913002 (E_RNA) where: Base-Base interactions energy: -2107.493 where: short stacking energy: -887.309 Base-Backbone interact. energy: -5.319 local terms energy: -825.101845 where: bonds (distance) C4'-P energy: -157.397 bonds (distance) P-C4' energy: -151.844 flat angles C4'-P-C4' energy: -184.499 flat angles P-C4'-P energy: -112.084 tors. eta vs tors. theta energy: -219.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2735.786073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.786073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.786073 (E_RNA) where: Base-Base interactions energy: -1947.923 where: short stacking energy: -777.226 Base-Backbone interact. energy: -0.564 local terms energy: -787.299167 where: bonds (distance) C4'-P energy: -154.470 bonds (distance) P-C4' energy: -137.388 flat angles C4'-P-C4' energy: -169.254 flat angles P-C4'-P energy: -121.180 tors. eta vs tors. theta energy: -205.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2636.066012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.066012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.066012 (E_RNA) where: Base-Base interactions energy: -1836.029 where: short stacking energy: -770.053 Base-Backbone interact. energy: 1.790 local terms energy: -801.827413 where: bonds (distance) C4'-P energy: -151.645 bonds (distance) P-C4' energy: -168.365 flat angles C4'-P-C4' energy: -171.668 flat angles P-C4'-P energy: -119.822 tors. eta vs tors. theta energy: -190.328 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: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2294.954330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.954330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.954330 (E_RNA) where: Base-Base interactions energy: -1580.576 where: short stacking energy: -696.711 Base-Backbone interact. energy: -2.838 local terms energy: -711.539459 where: bonds (distance) C4'-P energy: -150.155 bonds (distance) P-C4' energy: -136.193 flat angles C4'-P-C4' energy: -151.849 flat angles P-C4'-P energy: -101.747 tors. eta vs tors. theta energy: -171.595 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: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1939.665106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.665106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.665106 (E_RNA) where: Base-Base interactions energy: -1321.296 where: short stacking energy: -575.114 Base-Backbone interact. energy: 3.672 local terms energy: -622.041034 where: bonds (distance) C4'-P energy: -117.227 bonds (distance) P-C4' energy: -158.452 flat angles C4'-P-C4' energy: -164.729 flat angles P-C4'-P energy: -92.092 tors. eta vs tors. theta energy: -89.540 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: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1541.787101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.787101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.787101 (E_RNA) where: Base-Base interactions energy: -971.146 where: short stacking energy: -424.997 Base-Backbone interact. energy: -2.582 local terms energy: -568.059111 where: bonds (distance) C4'-P energy: -148.945 bonds (distance) P-C4' energy: -137.067 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -88.153 tors. eta vs tors. theta energy: -51.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3444.073652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.073652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.073652 (E_RNA) where: Base-Base interactions energy: -2419.758 where: short stacking energy: -1025.828 Base-Backbone interact. energy: 3.107 local terms energy: -1027.423029 where: bonds (distance) C4'-P energy: -170.743 bonds (distance) P-C4' energy: -204.040 flat angles C4'-P-C4' energy: -213.285 flat angles P-C4'-P energy: -149.920 tors. eta vs tors. theta energy: -289.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3323.843680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.843680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.843680 (E_RNA) where: Base-Base interactions energy: -2388.037 where: short stacking energy: -961.722 Base-Backbone interact. energy: -4.469 local terms energy: -931.338072 where: bonds (distance) C4'-P energy: -162.870 bonds (distance) P-C4' energy: -174.508 flat angles C4'-P-C4' energy: -209.381 flat angles P-C4'-P energy: -126.651 tors. eta vs tors. theta energy: -257.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -3166.000379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.000379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.000379 (E_RNA) where: Base-Base interactions energy: -2210.512 where: short stacking energy: -978.568 Base-Backbone interact. energy: -4.501 local terms energy: -950.987076 where: bonds (distance) C4'-P energy: -155.900 bonds (distance) P-C4' energy: -193.182 flat angles C4'-P-C4' energy: -206.333 flat angles P-C4'-P energy: -134.528 tors. eta vs tors. theta energy: -261.044 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: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -2995.005398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.005398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.005398 (E_RNA) where: Base-Base interactions energy: -2110.295 where: short stacking energy: -870.979 Base-Backbone interact. energy: 2.438 local terms energy: -887.148499 where: bonds (distance) C4'-P energy: -157.536 bonds (distance) P-C4' energy: -188.047 flat angles C4'-P-C4' energy: -201.128 flat angles P-C4'-P energy: -108.554 tors. eta vs tors. theta energy: -231.884 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2975.158773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.158773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.158773 (E_RNA) where: Base-Base interactions energy: -2115.733 where: short stacking energy: -874.502 Base-Backbone interact. energy: -4.108 local terms energy: -855.317912 where: bonds (distance) C4'-P energy: -155.328 bonds (distance) P-C4' energy: -166.978 flat angles C4'-P-C4' energy: -193.289 flat angles P-C4'-P energy: -111.333 tors. eta vs tors. theta energy: -228.390 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: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2704.779903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.779903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.779903 (E_RNA) where: Base-Base interactions energy: -1938.820 where: short stacking energy: -772.279 Base-Backbone interact. energy: 9.658 local terms energy: -775.617717 where: bonds (distance) C4'-P energy: -164.109 bonds (distance) P-C4' energy: -161.261 flat angles C4'-P-C4' energy: -160.863 flat angles P-C4'-P energy: -103.382 tors. eta vs tors. theta energy: -186.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2564.591141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.591141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.591141 (E_RNA) where: Base-Base interactions energy: -1763.898 where: short stacking energy: -760.266 Base-Backbone interact. energy: -1.158 local terms energy: -799.535164 where: bonds (distance) C4'-P energy: -157.381 bonds (distance) P-C4' energy: -162.235 flat angles C4'-P-C4' energy: -175.579 flat angles P-C4'-P energy: -107.334 tors. eta vs tors. theta energy: -197.006 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: 8, replica: 8 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2320.322757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2320.322757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2320.322757 (E_RNA) where: Base-Base interactions energy: -1596.152 where: short stacking energy: -689.581 Base-Backbone interact. energy: -3.342 local terms energy: -720.828245 where: bonds (distance) C4'-P energy: -146.928 bonds (distance) P-C4' energy: -135.981 flat angles C4'-P-C4' energy: -164.952 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -173.603 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: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -2009.582417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2009.582417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2009.582417 (E_RNA) where: Base-Base interactions energy: -1348.330 where: short stacking energy: -577.846 Base-Backbone interact. energy: -3.186 local terms energy: -658.066766 where: bonds (distance) C4'-P energy: -150.102 bonds (distance) P-C4' energy: -158.659 flat angles C4'-P-C4' energy: -149.955 flat angles P-C4'-P energy: -95.846 tors. eta vs tors. theta energy: -103.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1555.943530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.943530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.943530 (E_RNA) where: Base-Base interactions energy: -1037.256 where: short stacking energy: -458.728 Base-Backbone interact. energy: 3.022 local terms energy: -521.709986 where: bonds (distance) C4'-P energy: -140.613 bonds (distance) P-C4' energy: -124.626 flat angles C4'-P-C4' energy: -132.986 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -52.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3477.823424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3477.823424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3477.823424 (E_RNA) where: Base-Base interactions energy: -2454.394 where: short stacking energy: -1068.960 Base-Backbone interact. energy: -5.326 local terms energy: -1018.103478 where: bonds (distance) C4'-P energy: -175.506 bonds (distance) P-C4' energy: -184.820 flat angles C4'-P-C4' energy: -223.725 flat angles P-C4'-P energy: -148.145 tors. eta vs tors. theta energy: -285.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3315.348027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.348027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.348027 (E_RNA) where: Base-Base interactions energy: -2354.595 where: short stacking energy: -956.180 Base-Backbone interact. energy: -6.278 local terms energy: -954.475487 where: bonds (distance) C4'-P energy: -164.035 bonds (distance) P-C4' energy: -183.679 flat angles C4'-P-C4' energy: -206.607 flat angles P-C4'-P energy: -154.770 tors. eta vs tors. theta energy: -245.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -3158.312984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.312984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.312984 (E_RNA) where: Base-Base interactions energy: -2190.765 where: short stacking energy: -980.339 Base-Backbone interact. energy: 0.377 local terms energy: -967.924657 where: bonds (distance) C4'-P energy: -187.973 bonds (distance) P-C4' energy: -181.342 flat angles C4'-P-C4' energy: -201.636 flat angles P-C4'-P energy: -117.125 tors. eta vs tors. theta energy: -279.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2971.092717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.092717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.092717 (E_RNA) where: Base-Base interactions energy: -2092.043 where: short stacking energy: -877.634 Base-Backbone interact. energy: -0.733 local terms energy: -878.316826 where: bonds (distance) C4'-P energy: -164.279 bonds (distance) P-C4' energy: -161.920 flat angles C4'-P-C4' energy: -198.326 flat angles P-C4'-P energy: -117.127 tors. eta vs tors. theta energy: -236.664 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: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -2950.676867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.676867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.676867 (E_RNA) where: Base-Base interactions energy: -2104.197 where: short stacking energy: -881.989 Base-Backbone interact. energy: -2.354 local terms energy: -844.125880 where: bonds (distance) C4'-P energy: -174.005 bonds (distance) P-C4' energy: -142.787 flat angles C4'-P-C4' energy: -192.574 flat angles P-C4'-P energy: -112.128 tors. eta vs tors. theta energy: -222.632 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: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2730.213044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.213044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.213044 (E_RNA) where: Base-Base interactions energy: -1960.728 where: short stacking energy: -811.910 Base-Backbone interact. energy: -3.803 local terms energy: -765.681901 where: bonds (distance) C4'-P energy: -136.620 bonds (distance) P-C4' energy: -152.488 flat angles C4'-P-C4' energy: -180.405 flat angles P-C4'-P energy: -97.450 tors. eta vs tors. theta energy: -198.720 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: 8 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2416.436307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.436307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.436307 (E_RNA) where: Base-Base interactions energy: -1656.942 where: short stacking energy: -719.872 Base-Backbone interact. energy: -2.014 local terms energy: -757.480485 where: bonds (distance) C4'-P energy: -121.615 bonds (distance) P-C4' energy: -165.627 flat angles C4'-P-C4' energy: -174.502 flat angles P-C4'-P energy: -128.705 tors. eta vs tors. theta energy: -167.032 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: 1 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2366.419343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.419343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.419343 (E_RNA) where: Base-Base interactions energy: -1627.786 where: short stacking energy: -689.339 Base-Backbone interact. energy: -2.900 local terms energy: -735.733983 where: bonds (distance) C4'-P energy: -145.980 bonds (distance) P-C4' energy: -160.616 flat angles C4'-P-C4' energy: -158.188 flat angles P-C4'-P energy: -97.703 tors. eta vs tors. theta energy: -173.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -2047.401073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.401073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.401073 (E_RNA) where: Base-Base interactions energy: -1337.399 where: short stacking energy: -600.117 Base-Backbone interact. energy: 4.928 local terms energy: -714.930565 where: bonds (distance) C4'-P energy: -147.886 bonds (distance) P-C4' energy: -181.955 flat angles C4'-P-C4' energy: -169.930 flat angles P-C4'-P energy: -80.845 tors. eta vs tors. theta energy: -134.313 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: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1559.001521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.001521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.001521 (E_RNA) where: Base-Base interactions energy: -1011.883 where: short stacking energy: -448.901 Base-Backbone interact. energy: 6.300 local terms energy: -553.418244 where: bonds (distance) C4'-P energy: -132.064 bonds (distance) P-C4' energy: -154.987 flat angles C4'-P-C4' energy: -138.943 flat angles P-C4'-P energy: -64.931 tors. eta vs tors. theta energy: -62.493 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: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3443.151886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3443.151886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3443.151886 (E_RNA) where: Base-Base interactions energy: -2440.172 where: short stacking energy: -1030.666 Base-Backbone interact. energy: -4.629 local terms energy: -998.350980 where: bonds (distance) C4'-P energy: -176.293 bonds (distance) P-C4' energy: -190.063 flat angles C4'-P-C4' energy: -197.038 flat angles P-C4'-P energy: -149.476 tors. eta vs tors. theta energy: -285.481 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: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3312.831796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.831796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.831796 (E_RNA) where: Base-Base interactions energy: -2368.952 where: short stacking energy: -917.888 Base-Backbone interact. energy: -1.941 local terms energy: -941.938964 where: bonds (distance) C4'-P energy: -172.863 bonds (distance) P-C4' energy: -182.990 flat angles C4'-P-C4' energy: -204.785 flat angles P-C4'-P energy: -134.208 tors. eta vs tors. theta energy: -247.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -3178.552677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.552677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.552677 (E_RNA) where: Base-Base interactions energy: -2230.397 where: short stacking energy: -1000.853 Base-Backbone interact. energy: -1.127 local terms energy: -947.029265 where: bonds (distance) C4'-P energy: -150.270 bonds (distance) P-C4' energy: -167.744 flat angles C4'-P-C4' energy: -222.931 flat angles P-C4'-P energy: -119.125 tors. eta vs tors. theta energy: -286.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2981.972402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2981.972402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2981.972402 (E_RNA) where: Base-Base interactions energy: -2136.375 where: short stacking energy: -855.889 Base-Backbone interact. energy: -3.446 local terms energy: -842.151856 where: bonds (distance) C4'-P energy: -135.311 bonds (distance) P-C4' energy: -172.931 flat angles C4'-P-C4' energy: -178.485 flat angles P-C4'-P energy: -134.879 tors. eta vs tors. theta energy: -220.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2946.267073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2946.267073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2946.267073 (E_RNA) where: Base-Base interactions energy: -2078.992 where: short stacking energy: -871.600 Base-Backbone interact. energy: -2.853 local terms energy: -864.422885 where: bonds (distance) C4'-P energy: -153.730 bonds (distance) P-C4' energy: -169.543 flat angles C4'-P-C4' energy: -203.389 flat angles P-C4'-P energy: -111.107 tors. eta vs tors. theta energy: -226.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2685.108364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.108364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.108364 (E_RNA) where: Base-Base interactions energy: -1889.769 where: short stacking energy: -764.341 Base-Backbone interact. energy: 0.132 local terms energy: -795.470505 where: bonds (distance) C4'-P energy: -149.104 bonds (distance) P-C4' energy: -153.067 flat angles C4'-P-C4' energy: -167.758 flat angles P-C4'-P energy: -122.984 tors. eta vs tors. theta energy: -202.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2483.285061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.285061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.285061 (E_RNA) where: Base-Base interactions energy: -1671.956 where: short stacking energy: -741.422 Base-Backbone interact. energy: -1.148 local terms energy: -810.181005 where: bonds (distance) C4'-P energy: -153.935 bonds (distance) P-C4' energy: -160.100 flat angles C4'-P-C4' energy: -192.436 flat angles P-C4'-P energy: -119.320 tors. eta vs tors. theta energy: -184.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2441.247081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.247081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.247081 (E_RNA) where: Base-Base interactions energy: -1677.724 where: short stacking energy: -715.362 Base-Backbone interact. energy: -4.856 local terms energy: -758.667105 where: bonds (distance) C4'-P energy: -133.511 bonds (distance) P-C4' energy: -152.942 flat angles C4'-P-C4' energy: -176.180 flat angles P-C4'-P energy: -103.391 tors. eta vs tors. theta energy: -192.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -2032.413676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.413676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.413676 (E_RNA) where: Base-Base interactions energy: -1369.566 where: short stacking energy: -605.177 Base-Backbone interact. energy: -2.660 local terms energy: -660.187993 where: bonds (distance) C4'-P energy: -136.832 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -145.448 flat angles P-C4'-P energy: -94.045 tors. eta vs tors. theta energy: -135.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1581.699971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.699971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.699971 (E_RNA) where: Base-Base interactions energy: -999.280 where: short stacking energy: -440.747 Base-Backbone interact. energy: 2.623 local terms energy: -585.042695 where: bonds (distance) C4'-P energy: -137.992 bonds (distance) P-C4' energy: -147.751 flat angles C4'-P-C4' energy: -157.097 flat angles P-C4'-P energy: -73.326 tors. eta vs tors. theta energy: -68.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3450.138870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.138870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.138870 (E_RNA) where: Base-Base interactions energy: -2465.268 where: short stacking energy: -1029.500 Base-Backbone interact. energy: -7.054 local terms energy: -977.816906 where: bonds (distance) C4'-P energy: -166.572 bonds (distance) P-C4' energy: -187.155 flat angles C4'-P-C4' energy: -206.845 flat angles P-C4'-P energy: -135.229 tors. eta vs tors. theta energy: -282.015 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: 6 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3323.858879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.858879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.858879 (E_RNA) where: Base-Base interactions energy: -2405.845 where: short stacking energy: -932.438 Base-Backbone interact. energy: -1.087 local terms energy: -916.926564 where: bonds (distance) C4'-P energy: -167.155 bonds (distance) P-C4' energy: -187.358 flat angles C4'-P-C4' energy: -201.368 flat angles P-C4'-P energy: -117.944 tors. eta vs tors. theta energy: -243.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -3143.420586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.420586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.420586 (E_RNA) where: Base-Base interactions energy: -2152.518 where: short stacking energy: -956.548 Base-Backbone interact. energy: -2.661 local terms energy: -988.242134 where: bonds (distance) C4'-P energy: -179.981 bonds (distance) P-C4' energy: -197.041 flat angles C4'-P-C4' energy: -205.676 flat angles P-C4'-P energy: -138.774 tors. eta vs tors. theta energy: -266.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -3013.202292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.202292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.202292 (E_RNA) where: Base-Base interactions energy: -2129.697 where: short stacking energy: -884.701 Base-Backbone interact. energy: -1.685 local terms energy: -881.820639 where: bonds (distance) C4'-P energy: -176.258 bonds (distance) P-C4' energy: -170.801 flat angles C4'-P-C4' energy: -186.917 flat angles P-C4'-P energy: -130.369 tors. eta vs tors. theta energy: -217.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2949.779141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.779141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.779141 (E_RNA) where: Base-Base interactions energy: -2078.875 where: short stacking energy: -888.723 Base-Backbone interact. energy: -1.900 local terms energy: -869.004548 where: bonds (distance) C4'-P energy: -163.751 bonds (distance) P-C4' energy: -176.177 flat angles C4'-P-C4' energy: -190.480 flat angles P-C4'-P energy: -107.439 tors. eta vs tors. theta energy: -231.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2796.031767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.031767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.031767 (E_RNA) where: Base-Base interactions energy: -1968.130 where: short stacking energy: -823.510 Base-Backbone interact. energy: 0.891 local terms energy: -828.792265 where: bonds (distance) C4'-P energy: -134.989 bonds (distance) P-C4' energy: -179.570 flat angles C4'-P-C4' energy: -191.954 flat angles P-C4'-P energy: -107.387 tors. eta vs tors. theta energy: -214.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2506.507603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.507603 (E_RNA) where: Base-Base interactions energy: -1745.296 where: short stacking energy: -751.575 Base-Backbone interact. energy: -4.116 local terms energy: -757.095866 where: bonds (distance) C4'-P energy: -154.799 bonds (distance) P-C4' energy: -155.529 flat angles C4'-P-C4' energy: -185.540 flat angles P-C4'-P energy: -86.684 tors. eta vs tors. theta energy: -174.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2328.782318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.782318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.782318 (E_RNA) where: Base-Base interactions energy: -1609.816 where: short stacking energy: -702.771 Base-Backbone interact. energy: 0.487 local terms energy: -719.452985 where: bonds (distance) C4'-P energy: -130.089 bonds (distance) P-C4' energy: -167.578 flat angles C4'-P-C4' energy: -165.640 flat angles P-C4'-P energy: -97.672 tors. eta vs tors. theta energy: -158.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1973.640896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.640896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.640896 (E_RNA) where: Base-Base interactions energy: -1352.525 where: short stacking energy: -586.664 Base-Backbone interact. energy: -2.047 local terms energy: -619.068594 where: bonds (distance) C4'-P energy: -129.289 bonds (distance) P-C4' energy: -144.954 flat angles C4'-P-C4' energy: -149.382 flat angles P-C4'-P energy: -80.835 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1536.738040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.738040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.738040 (E_RNA) where: Base-Base interactions energy: -967.370 where: short stacking energy: -411.540 Base-Backbone interact. energy: -1.379 local terms energy: -567.989557 where: bonds (distance) C4'-P energy: -151.303 bonds (distance) P-C4' energy: -153.305 flat angles C4'-P-C4' energy: -134.575 flat angles P-C4'-P energy: -83.381 tors. eta vs tors. theta energy: -45.424 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: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3437.540965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3437.540965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3437.540965 (E_RNA) where: Base-Base interactions energy: -2426.528 where: short stacking energy: -1012.955 Base-Backbone interact. energy: -4.476 local terms energy: -1006.536811 where: bonds (distance) C4'-P energy: -162.784 bonds (distance) P-C4' energy: -190.490 flat angles C4'-P-C4' energy: -210.291 flat angles P-C4'-P energy: -155.068 tors. eta vs tors. theta energy: -287.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3318.270004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.270004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.270004 (E_RNA) where: Base-Base interactions energy: -2378.015 where: short stacking energy: -947.523 Base-Backbone interact. energy: -2.900 local terms energy: -937.355633 where: bonds (distance) C4'-P energy: -180.899 bonds (distance) P-C4' energy: -172.652 flat angles C4'-P-C4' energy: -215.295 flat angles P-C4'-P energy: -124.662 tors. eta vs tors. theta energy: -243.847 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: 9 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -3139.251934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.251934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.251934 (E_RNA) where: Base-Base interactions energy: -2181.610 where: short stacking energy: -965.286 Base-Backbone interact. energy: -7.789 local terms energy: -949.852759 where: bonds (distance) C4'-P energy: -180.567 bonds (distance) P-C4' energy: -167.008 flat angles C4'-P-C4' energy: -207.670 flat angles P-C4'-P energy: -134.670 tors. eta vs tors. theta energy: -259.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2999.782895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.782895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.782895 (E_RNA) where: Base-Base interactions energy: -2127.668 where: short stacking energy: -886.303 Base-Backbone interact. energy: 0.865 local terms energy: -872.979458 where: bonds (distance) C4'-P energy: -164.623 bonds (distance) P-C4' energy: -164.604 flat angles C4'-P-C4' energy: -194.961 flat angles P-C4'-P energy: -122.578 tors. eta vs tors. theta energy: -226.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2923.773426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.773426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.773426 (E_RNA) where: Base-Base interactions energy: -2068.269 where: short stacking energy: -849.158 Base-Backbone interact. energy: -4.622 local terms energy: -850.882929 where: bonds (distance) C4'-P energy: -153.945 bonds (distance) P-C4' energy: -181.416 flat angles C4'-P-C4' energy: -179.606 flat angles P-C4'-P energy: -131.127 tors. eta vs tors. theta energy: -204.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2813.223283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.223283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.223283 (E_RNA) where: Base-Base interactions energy: -1975.366 where: short stacking energy: -812.049 Base-Backbone interact. energy: -4.618 local terms energy: -833.239056 where: bonds (distance) C4'-P energy: -148.993 bonds (distance) P-C4' energy: -182.006 flat angles C4'-P-C4' energy: -194.048 flat angles P-C4'-P energy: -96.514 tors. eta vs tors. theta energy: -211.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2575.492623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.492623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.492623 (E_RNA) where: Base-Base interactions energy: -1797.657 where: short stacking energy: -790.222 Base-Backbone interact. energy: -1.561 local terms energy: -776.274228 where: bonds (distance) C4'-P energy: -150.805 bonds (distance) P-C4' energy: -156.377 flat angles C4'-P-C4' energy: -168.074 flat angles P-C4'-P energy: -119.235 tors. eta vs tors. theta energy: -181.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2339.947790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.947790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.947790 (E_RNA) where: Base-Base interactions energy: -1620.245 where: short stacking energy: -673.845 Base-Backbone interact. energy: 4.097 local terms energy: -723.799887 where: bonds (distance) C4'-P energy: -143.673 bonds (distance) P-C4' energy: -167.918 flat angles C4'-P-C4' energy: -156.813 flat angles P-C4'-P energy: -98.945 tors. eta vs tors. theta energy: -156.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1985.398516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.398516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.398516 (E_RNA) where: Base-Base interactions energy: -1303.674 where: short stacking energy: -602.461 Base-Backbone interact. energy: 0.619 local terms energy: -682.343420 where: bonds (distance) C4'-P energy: -139.689 bonds (distance) P-C4' energy: -160.836 flat angles C4'-P-C4' energy: -150.857 flat angles P-C4'-P energy: -106.880 tors. eta vs tors. theta energy: -124.081 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: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1616.466586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.466586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.466586 (E_RNA) where: Base-Base interactions energy: -1009.914 where: short stacking energy: -460.033 Base-Backbone interact. energy: 5.339 local terms energy: -611.891257 where: bonds (distance) C4'-P energy: -142.846 bonds (distance) P-C4' energy: -148.261 flat angles C4'-P-C4' energy: -168.654 flat angles P-C4'-P energy: -84.212 tors. eta vs tors. theta energy: -67.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3455.958271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3455.958271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3455.958271 (E_RNA) where: Base-Base interactions energy: -2487.564 where: short stacking energy: -1047.778 Base-Backbone interact. energy: -5.932 local terms energy: -962.462179 where: bonds (distance) C4'-P energy: -164.589 bonds (distance) P-C4' energy: -162.997 flat angles C4'-P-C4' energy: -216.617 flat angles P-C4'-P energy: -135.834 tors. eta vs tors. theta energy: -282.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3335.847850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.847850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.847850 (E_RNA) where: Base-Base interactions energy: -2384.846 where: short stacking energy: -944.685 Base-Backbone interact. energy: -1.815 local terms energy: -949.186548 where: bonds (distance) C4'-P energy: -190.485 bonds (distance) P-C4' energy: -160.998 flat angles C4'-P-C4' energy: -212.657 flat angles P-C4'-P energy: -135.390 tors. eta vs tors. theta energy: -249.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -3150.129171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.129171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.129171 (E_RNA) where: Base-Base interactions energy: -2172.985 where: short stacking energy: -969.836 Base-Backbone interact. energy: -2.663 local terms energy: -974.480824 where: bonds (distance) C4'-P energy: -169.787 bonds (distance) P-C4' energy: -174.281 flat angles C4'-P-C4' energy: -210.504 flat angles P-C4'-P energy: -151.355 tors. eta vs tors. theta energy: -268.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2996.563315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.563315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.563315 (E_RNA) where: Base-Base interactions energy: -2100.768 where: short stacking energy: -886.169 Base-Backbone interact. energy: -4.207 local terms energy: -891.588895 where: bonds (distance) C4'-P energy: -177.780 bonds (distance) P-C4' energy: -190.787 flat angles C4'-P-C4' energy: -185.727 flat angles P-C4'-P energy: -113.118 tors. eta vs tors. theta energy: -224.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -2843.623703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.623703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.623703 (E_RNA) where: Base-Base interactions energy: -1994.153 where: short stacking energy: -828.234 Base-Backbone interact. energy: -0.621 local terms energy: -848.849308 where: bonds (distance) C4'-P energy: -169.068 bonds (distance) P-C4' energy: -170.212 flat angles C4'-P-C4' energy: -176.537 flat angles P-C4'-P energy: -125.061 tors. eta vs tors. theta energy: -207.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2832.304355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.304355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.304355 (E_RNA) where: Base-Base interactions energy: -1993.499 where: short stacking energy: -834.986 Base-Backbone interact. energy: 2.313 local terms energy: -841.118539 where: bonds (distance) C4'-P energy: -155.765 bonds (distance) P-C4' energy: -191.948 flat angles C4'-P-C4' energy: -171.959 flat angles P-C4'-P energy: -107.205 tors. eta vs tors. theta energy: -214.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2584.889064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.889064 (E_RNA) where: Base-Base interactions energy: -1826.310 where: short stacking energy: -759.497 Base-Backbone interact. energy: 0.104 local terms energy: -758.683275 where: bonds (distance) C4'-P energy: -156.878 bonds (distance) P-C4' energy: -139.795 flat angles C4'-P-C4' energy: -173.003 flat angles P-C4'-P energy: -98.045 tors. eta vs tors. theta energy: -190.963 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: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2350.344743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.344743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.344743 (E_RNA) where: Base-Base interactions energy: -1644.066 where: short stacking energy: -727.060 Base-Backbone interact. energy: -1.054 local terms energy: -705.224424 where: bonds (distance) C4'-P energy: -147.395 bonds (distance) P-C4' energy: -143.847 flat angles C4'-P-C4' energy: -158.559 flat angles P-C4'-P energy: -89.382 tors. eta vs tors. theta energy: -166.040 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: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -2014.884450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.884450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.884450 (E_RNA) where: Base-Base interactions energy: -1329.680 where: short stacking energy: -600.795 Base-Backbone interact. energy: -1.361 local terms energy: -683.842566 where: bonds (distance) C4'-P energy: -126.892 bonds (distance) P-C4' energy: -152.727 flat angles C4'-P-C4' energy: -173.617 flat angles P-C4'-P energy: -99.795 tors. eta vs tors. theta energy: -130.811 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: 454 Temperature: 1.350000 Total energy: -1582.087826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.087826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.087826 (E_RNA) where: Base-Base interactions energy: -1020.460 where: short stacking energy: -452.460 Base-Backbone interact. energy: 14.694 local terms energy: -576.322560 where: bonds (distance) C4'-P energy: -132.946 bonds (distance) P-C4' energy: -144.158 flat angles C4'-P-C4' energy: -139.507 flat angles P-C4'-P energy: -87.502 tors. eta vs tors. theta energy: -72.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3454.497910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.497910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.497910 (E_RNA) where: Base-Base interactions energy: -2441.254 where: short stacking energy: -1039.099 Base-Backbone interact. energy: -3.245 local terms energy: -1009.998736 where: bonds (distance) C4'-P energy: -175.565 bonds (distance) P-C4' energy: -200.154 flat angles C4'-P-C4' energy: -216.453 flat angles P-C4'-P energy: -131.464 tors. eta vs tors. theta energy: -286.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3323.388423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.388423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.388423 (E_RNA) where: Base-Base interactions energy: -2346.008 where: short stacking energy: -951.895 Base-Backbone interact. energy: 2.474 local terms energy: -979.854115 where: bonds (distance) C4'-P energy: -179.602 bonds (distance) P-C4' energy: -199.700 flat angles C4'-P-C4' energy: -202.232 flat angles P-C4'-P energy: -142.342 tors. eta vs tors. theta energy: -255.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -3157.605497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.605497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.605497 (E_RNA) where: Base-Base interactions energy: -2185.484 where: short stacking energy: -948.889 Base-Backbone interact. energy: -0.376 local terms energy: -971.746083 where: bonds (distance) C4'-P energy: -175.869 bonds (distance) P-C4' energy: -187.334 flat angles C4'-P-C4' energy: -196.573 flat angles P-C4'-P energy: -135.706 tors. eta vs tors. theta energy: -276.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -3048.506679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.506679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.506679 (E_RNA) where: Base-Base interactions energy: -2167.938 where: short stacking energy: -899.912 Base-Backbone interact. energy: -6.014 local terms energy: -874.554342 where: bonds (distance) C4'-P energy: -158.162 bonds (distance) P-C4' energy: -153.163 flat angles C4'-P-C4' energy: -196.528 flat angles P-C4'-P energy: -124.122 tors. eta vs tors. theta energy: -242.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2834.305982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.305982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.305982 (E_RNA) where: Base-Base interactions energy: -2012.554 where: short stacking energy: -847.624 Base-Backbone interact. energy: -2.964 local terms energy: -818.787289 where: bonds (distance) C4'-P energy: -124.584 bonds (distance) P-C4' energy: -174.205 flat angles C4'-P-C4' energy: -191.277 flat angles P-C4'-P energy: -105.953 tors. eta vs tors. theta energy: -222.768 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: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2817.096770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.096770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.096770 (E_RNA) where: Base-Base interactions energy: -2039.879 where: short stacking energy: -812.593 Base-Backbone interact. energy: 1.329 local terms energy: -778.547013 where: bonds (distance) C4'-P energy: -145.161 bonds (distance) P-C4' energy: -139.965 flat angles C4'-P-C4' energy: -183.930 flat angles P-C4'-P energy: -99.706 tors. eta vs tors. theta energy: -209.786 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: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2622.089561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.089561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.089561 (E_RNA) where: Base-Base interactions energy: -1811.922 where: short stacking energy: -763.584 Base-Backbone interact. energy: -1.887 local terms energy: -808.280897 where: bonds (distance) C4'-P energy: -143.714 bonds (distance) P-C4' energy: -174.218 flat angles C4'-P-C4' energy: -180.427 flat angles P-C4'-P energy: -107.615 tors. eta vs tors. theta energy: -202.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2420.322762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.322762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.322762 (E_RNA) where: Base-Base interactions energy: -1704.883 where: short stacking energy: -728.998 Base-Backbone interact. energy: 1.280 local terms energy: -716.719959 where: bonds (distance) C4'-P energy: -149.392 bonds (distance) P-C4' energy: -136.841 flat angles C4'-P-C4' energy: -157.400 flat angles P-C4'-P energy: -100.589 tors. eta vs tors. theta energy: -172.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -2044.917544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.917544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.917544 (E_RNA) where: Base-Base interactions energy: -1362.591 where: short stacking energy: -610.113 Base-Backbone interact. energy: -3.599 local terms energy: -678.727453 where: bonds (distance) C4'-P energy: -160.743 bonds (distance) P-C4' energy: -160.780 flat angles C4'-P-C4' energy: -148.872 flat angles P-C4'-P energy: -81.113 tors. eta vs tors. theta energy: -127.219 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: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1598.508643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.508643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.508643 (E_RNA) where: Base-Base interactions energy: -1039.976 where: short stacking energy: -471.437 Base-Backbone interact. energy: -4.600 local terms energy: -553.933025 where: bonds (distance) C4'-P energy: -141.149 bonds (distance) P-C4' energy: -149.786 flat angles C4'-P-C4' energy: -120.784 flat angles P-C4'-P energy: -86.302 tors. eta vs tors. theta energy: -55.912 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: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3491.327384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3491.327384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3491.327384 (E_RNA) where: Base-Base interactions energy: -2442.225 where: short stacking energy: -1052.598 Base-Backbone interact. energy: -5.488 local terms energy: -1043.614340 where: bonds (distance) C4'-P energy: -183.020 bonds (distance) P-C4' energy: -195.493 flat angles C4'-P-C4' energy: -222.838 flat angles P-C4'-P energy: -147.037 tors. eta vs tors. theta energy: -295.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3332.043101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.043101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.043101 (E_RNA) where: Base-Base interactions energy: -2360.083 where: short stacking energy: -938.842 Base-Backbone interact. energy: -3.725 local terms energy: -968.235352 where: bonds (distance) C4'-P energy: -185.969 bonds (distance) P-C4' energy: -186.831 flat angles C4'-P-C4' energy: -197.996 flat angles P-C4'-P energy: -142.046 tors. eta vs tors. theta energy: -255.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -3137.423133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.423133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.423133 (E_RNA) where: Base-Base interactions energy: -2165.862 where: short stacking energy: -970.661 Base-Backbone interact. energy: -5.732 local terms energy: -965.829273 where: bonds (distance) C4'-P energy: -162.911 bonds (distance) P-C4' energy: -191.928 flat angles C4'-P-C4' energy: -214.846 flat angles P-C4'-P energy: -131.360 tors. eta vs tors. theta energy: -264.784 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: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -3040.280736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.280736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.280736 (E_RNA) where: Base-Base interactions energy: -2169.609 where: short stacking energy: -908.558 Base-Backbone interact. energy: -7.535 local terms energy: -863.136665 where: bonds (distance) C4'-P energy: -155.317 bonds (distance) P-C4' energy: -150.382 flat angles C4'-P-C4' energy: -191.751 flat angles P-C4'-P energy: -134.995 tors. eta vs tors. theta energy: -230.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2848.730025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.730025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.730025 (E_RNA) where: Base-Base interactions energy: -1994.163 where: short stacking energy: -813.065 Base-Backbone interact. energy: -5.388 local terms energy: -849.179062 where: bonds (distance) C4'-P energy: -177.906 bonds (distance) P-C4' energy: -178.906 flat angles C4'-P-C4' energy: -180.072 flat angles P-C4'-P energy: -98.563 tors. eta vs tors. theta energy: -213.733 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: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2858.354707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.354707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.354707 (E_RNA) where: Base-Base interactions energy: -2013.016 where: short stacking energy: -836.561 Base-Backbone interact. energy: 9.424 local terms energy: -854.762751 where: bonds (distance) C4'-P energy: -157.590 bonds (distance) P-C4' energy: -184.749 flat angles C4'-P-C4' energy: -178.541 flat angles P-C4'-P energy: -126.557 tors. eta vs tors. theta energy: -207.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2561.659864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.659864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.659864 (E_RNA) where: Base-Base interactions energy: -1809.216 where: short stacking energy: -769.311 Base-Backbone interact. energy: -6.407 local terms energy: -746.037185 where: bonds (distance) C4'-P energy: -105.057 bonds (distance) P-C4' energy: -144.557 flat angles C4'-P-C4' energy: -188.992 flat angles P-C4'-P energy: -110.424 tors. eta vs tors. theta energy: -197.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2381.040995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.040995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.040995 (E_RNA) where: Base-Base interactions energy: -1682.129 where: short stacking energy: -712.316 Base-Backbone interact. energy: 1.500 local terms energy: -700.411606 where: bonds (distance) C4'-P energy: -139.582 bonds (distance) P-C4' energy: -151.118 flat angles C4'-P-C4' energy: -162.922 flat angles P-C4'-P energy: -96.001 tors. eta vs tors. theta energy: -150.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -2047.342276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.342276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.342276 (E_RNA) where: Base-Base interactions energy: -1352.063 where: short stacking energy: -592.502 Base-Backbone interact. energy: 2.687 local terms energy: -697.966060 where: bonds (distance) C4'-P energy: -144.338 bonds (distance) P-C4' energy: -150.998 flat angles C4'-P-C4' energy: -168.957 flat angles P-C4'-P energy: -91.917 tors. eta vs tors. theta energy: -141.756 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: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1672.099001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.099001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.099001 (E_RNA) where: Base-Base interactions energy: -1059.855 where: short stacking energy: -487.592 Base-Backbone interact. energy: 0.620 local terms energy: -612.863723 where: bonds (distance) C4'-P energy: -129.159 bonds (distance) P-C4' energy: -138.193 flat angles C4'-P-C4' energy: -163.648 flat angles P-C4'-P energy: -91.407 tors. eta vs tors. theta energy: -90.457 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: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3485.405460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3485.405460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3485.405460 (E_RNA) where: Base-Base interactions energy: -2458.531 where: short stacking energy: -1053.578 Base-Backbone interact. energy: -1.903 local terms energy: -1024.971286 where: bonds (distance) C4'-P energy: -172.679 bonds (distance) P-C4' energy: -193.823 flat angles C4'-P-C4' energy: -225.599 flat angles P-C4'-P energy: -136.845 tors. eta vs tors. theta energy: -296.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3313.170381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3313.170381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3313.170381 (E_RNA) where: Base-Base interactions energy: -2341.911 where: short stacking energy: -943.444 Base-Backbone interact. energy: -2.189 local terms energy: -969.070138 where: bonds (distance) C4'-P energy: -182.959 bonds (distance) P-C4' energy: -181.894 flat angles C4'-P-C4' energy: -201.387 flat angles P-C4'-P energy: -142.377 tors. eta vs tors. theta energy: -260.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -3157.869378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.869378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.869378 (E_RNA) where: Base-Base interactions energy: -2193.911 where: short stacking energy: -978.845 Base-Backbone interact. energy: -1.588 local terms energy: -962.370743 where: bonds (distance) C4'-P energy: -162.628 bonds (distance) P-C4' energy: -171.698 flat angles C4'-P-C4' energy: -218.562 flat angles P-C4'-P energy: -140.071 tors. eta vs tors. theta energy: -269.411 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: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -3065.893415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.893415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.893415 (E_RNA) where: Base-Base interactions energy: -2172.868 where: short stacking energy: -901.221 Base-Backbone interact. energy: -5.397 local terms energy: -887.628709 where: bonds (distance) C4'-P energy: -174.580 bonds (distance) P-C4' energy: -170.315 flat angles C4'-P-C4' energy: -190.207 flat angles P-C4'-P energy: -113.730 tors. eta vs tors. theta energy: -238.796 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: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2823.869408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.869408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.869408 (E_RNA) where: Base-Base interactions energy: -2002.365 where: short stacking energy: -833.512 Base-Backbone interact. energy: -0.132 local terms energy: -821.372036 where: bonds (distance) C4'-P energy: -159.355 bonds (distance) P-C4' energy: -160.937 flat angles C4'-P-C4' energy: -183.688 flat angles P-C4'-P energy: -110.144 tors. eta vs tors. theta energy: -207.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2867.931930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.931930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.931930 (E_RNA) where: Base-Base interactions energy: -2038.111 where: short stacking energy: -832.980 Base-Backbone interact. energy: -2.043 local terms energy: -827.777702 where: bonds (distance) C4'-P energy: -145.676 bonds (distance) P-C4' energy: -164.516 flat angles C4'-P-C4' energy: -183.995 flat angles P-C4'-P energy: -111.815 tors. eta vs tors. theta energy: -221.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2619.309260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.309260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.309260 (E_RNA) where: Base-Base interactions energy: -1810.505 where: short stacking energy: -750.650 Base-Backbone interact. energy: 3.742 local terms energy: -812.546477 where: bonds (distance) C4'-P energy: -173.117 bonds (distance) P-C4' energy: -153.843 flat angles C4'-P-C4' energy: -175.729 flat angles P-C4'-P energy: -117.805 tors. eta vs tors. theta energy: -192.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -2348.207707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.207707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.207707 (E_RNA) where: Base-Base interactions energy: -1622.489 where: short stacking energy: -700.934 Base-Backbone interact. energy: 0.599 local terms energy: -726.318647 where: bonds (distance) C4'-P energy: -130.252 bonds (distance) P-C4' energy: -137.711 flat angles C4'-P-C4' energy: -161.453 flat angles P-C4'-P energy: -129.832 tors. eta vs tors. theta energy: -167.071 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1974.853641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.853641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.853641 (E_RNA) where: Base-Base interactions energy: -1322.628 where: short stacking energy: -584.691 Base-Backbone interact. energy: -2.782 local terms energy: -649.443958 where: bonds (distance) C4'-P energy: -138.222 bonds (distance) P-C4' energy: -148.782 flat angles C4'-P-C4' energy: -149.083 flat angles P-C4'-P energy: -94.551 tors. eta vs tors. theta energy: -118.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1694.760868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.760868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.760868 (E_RNA) where: Base-Base interactions energy: -1116.135 where: short stacking energy: -501.580 Base-Backbone interact. energy: 6.349 local terms energy: -584.975378 where: bonds (distance) C4'-P energy: -160.979 bonds (distance) P-C4' energy: -155.784 flat angles C4'-P-C4' energy: -119.166 flat angles P-C4'-P energy: -75.850 tors. eta vs tors. theta energy: -73.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3464.746986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.746986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.746986 (E_RNA) where: Base-Base interactions energy: -2449.478 where: short stacking energy: -1031.627 Base-Backbone interact. energy: -3.574 local terms energy: -1011.695043 where: bonds (distance) C4'-P energy: -172.928 bonds (distance) P-C4' energy: -188.429 flat angles C4'-P-C4' energy: -214.806 flat angles P-C4'-P energy: -150.364 tors. eta vs tors. theta energy: -285.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3298.793816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.793816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.793816 (E_RNA) where: Base-Base interactions energy: -2332.692 where: short stacking energy: -956.489 Base-Backbone interact. energy: -6.002 local terms energy: -960.100107 where: bonds (distance) C4'-P energy: -191.871 bonds (distance) P-C4' energy: -181.775 flat angles C4'-P-C4' energy: -203.799 flat angles P-C4'-P energy: -128.247 tors. eta vs tors. theta energy: -254.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -3182.474765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.474765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.474765 (E_RNA) where: Base-Base interactions energy: -2242.742 where: short stacking energy: -1005.137 Base-Backbone interact. energy: -6.592 local terms energy: -933.140364 where: bonds (distance) C4'-P energy: -174.162 bonds (distance) P-C4' energy: -159.927 flat angles C4'-P-C4' energy: -189.344 flat angles P-C4'-P energy: -138.464 tors. eta vs tors. theta energy: -271.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -3049.469741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.469741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.469741 (E_RNA) where: Base-Base interactions energy: -2145.746 where: short stacking energy: -904.672 Base-Backbone interact. energy: -6.107 local terms energy: -897.617026 where: bonds (distance) C4'-P energy: -168.608 bonds (distance) P-C4' energy: -170.966 flat angles C4'-P-C4' energy: -195.424 flat angles P-C4'-P energy: -127.983 tors. eta vs tors. theta energy: -234.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2817.447669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.447669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.447669 (E_RNA) where: Base-Base interactions energy: -1955.834 where: short stacking energy: -838.028 Base-Backbone interact. energy: -1.302 local terms energy: -860.311470 where: bonds (distance) C4'-P energy: -160.007 bonds (distance) P-C4' energy: -160.045 flat angles C4'-P-C4' energy: -195.666 flat angles P-C4'-P energy: -116.500 tors. eta vs tors. theta energy: -228.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2793.691807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.691807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.691807 (E_RNA) where: Base-Base interactions energy: -1973.400 where: short stacking energy: -817.437 Base-Backbone interact. energy: 4.451 local terms energy: -824.742811 where: bonds (distance) C4'-P energy: -149.526 bonds (distance) P-C4' energy: -159.339 flat angles C4'-P-C4' energy: -176.760 flat angles P-C4'-P energy: -126.448 tors. eta vs tors. theta energy: -212.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2636.925165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.925165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.925165 (E_RNA) where: Base-Base interactions energy: -1879.457 where: short stacking energy: -799.497 Base-Backbone interact. energy: -4.350 local terms energy: -753.117857 where: bonds (distance) C4'-P energy: -136.400 bonds (distance) P-C4' energy: -150.469 flat angles C4'-P-C4' energy: -156.823 flat angles P-C4'-P energy: -105.552 tors. eta vs tors. theta energy: -203.873 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: 8, replica: 8 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2266.797993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.797993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.797993 (E_RNA) where: Base-Base interactions energy: -1559.721 where: short stacking energy: -659.895 Base-Backbone interact. energy: 1.681 local terms energy: -708.758678 where: bonds (distance) C4'-P energy: -133.849 bonds (distance) P-C4' energy: -149.335 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -86.538 tors. eta vs tors. theta energy: -161.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -2007.187162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.187162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.187162 (E_RNA) where: Base-Base interactions energy: -1357.976 where: short stacking energy: -605.719 Base-Backbone interact. energy: -2.089 local terms energy: -647.122478 where: bonds (distance) C4'-P energy: -130.074 bonds (distance) P-C4' energy: -135.247 flat angles C4'-P-C4' energy: -163.041 flat angles P-C4'-P energy: -87.201 tors. eta vs tors. theta energy: -131.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1715.196927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.196927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.196927 (E_RNA) where: Base-Base interactions energy: -1140.738 where: short stacking energy: -533.376 Base-Backbone interact. energy: 1.991 local terms energy: -576.449903 where: bonds (distance) C4'-P energy: -158.272 bonds (distance) P-C4' energy: -145.137 flat angles C4'-P-C4' energy: -106.062 flat angles P-C4'-P energy: -88.056 tors. eta vs tors. theta energy: -78.923 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: 2 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3512.956128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3512.956128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3512.956128 (E_RNA) where: Base-Base interactions energy: -2478.979 where: short stacking energy: -1067.049 Base-Backbone interact. energy: -2.595 local terms energy: -1031.382031 where: bonds (distance) C4'-P energy: -171.215 bonds (distance) P-C4' energy: -200.916 flat angles C4'-P-C4' energy: -218.148 flat angles P-C4'-P energy: -149.681 tors. eta vs tors. theta energy: -291.422 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: 2, replica: 6 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3275.656559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.656559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.656559 (E_RNA) where: Base-Base interactions energy: -2348.864 where: short stacking energy: -968.403 Base-Backbone interact. energy: 0.212 local terms energy: -927.004900 where: bonds (distance) C4'-P energy: -166.130 bonds (distance) P-C4' energy: -173.075 flat angles C4'-P-C4' energy: -210.437 flat angles P-C4'-P energy: -122.930 tors. eta vs tors. theta energy: -254.433 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: 9 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -3152.668529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.668529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.668529 (E_RNA) where: Base-Base interactions energy: -2190.654 where: short stacking energy: -963.906 Base-Backbone interact. energy: -2.316 local terms energy: -959.698515 where: bonds (distance) C4'-P energy: -181.028 bonds (distance) P-C4' energy: -187.026 flat angles C4'-P-C4' energy: -192.439 flat angles P-C4'-P energy: -122.425 tors. eta vs tors. theta energy: -276.781 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: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -3002.971423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.971423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.971423 (E_RNA) where: Base-Base interactions energy: -2109.377 where: short stacking energy: -900.415 Base-Backbone interact. energy: -5.291 local terms energy: -888.303410 where: bonds (distance) C4'-P energy: -165.287 bonds (distance) P-C4' energy: -165.454 flat angles C4'-P-C4' energy: -191.726 flat angles P-C4'-P energy: -136.211 tors. eta vs tors. theta energy: -229.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2898.818283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.818283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.818283 (E_RNA) where: Base-Base interactions energy: -2032.983 where: short stacking energy: -850.008 Base-Backbone interact. energy: -5.234 local terms energy: -860.602140 where: bonds (distance) C4'-P energy: -171.657 bonds (distance) P-C4' energy: -153.818 flat angles C4'-P-C4' energy: -187.337 flat angles P-C4'-P energy: -119.254 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: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2859.608923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.608923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.608923 (E_RNA) where: Base-Base interactions energy: -2075.664 where: short stacking energy: -880.793 Base-Backbone interact. energy: 3.114 local terms energy: -787.058533 where: bonds (distance) C4'-P energy: -132.649 bonds (distance) P-C4' energy: -137.353 flat angles C4'-P-C4' energy: -185.676 flat angles P-C4'-P energy: -104.047 tors. eta vs tors. theta energy: -227.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2641.608653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.608653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.608653 (E_RNA) where: Base-Base interactions energy: -1863.590 where: short stacking energy: -788.858 Base-Backbone interact. energy: -2.038 local terms energy: -775.980487 where: bonds (distance) C4'-P energy: -154.993 bonds (distance) P-C4' energy: -146.090 flat angles C4'-P-C4' energy: -173.996 flat angles P-C4'-P energy: -108.478 tors. eta vs tors. theta energy: -192.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2297.561913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.561913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.561913 (E_RNA) where: Base-Base interactions energy: -1547.267 where: short stacking energy: -678.161 Base-Backbone interact. energy: -3.721 local terms energy: -746.573960 where: bonds (distance) C4'-P energy: -157.388 bonds (distance) P-C4' energy: -150.247 flat angles C4'-P-C4' energy: -170.902 flat angles P-C4'-P energy: -115.699 tors. eta vs tors. theta energy: -152.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1971.679044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.679044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.679044 (E_RNA) where: Base-Base interactions energy: -1289.152 where: short stacking energy: -559.292 Base-Backbone interact. energy: -1.885 local terms energy: -680.642793 where: bonds (distance) C4'-P energy: -152.193 bonds (distance) P-C4' energy: -154.572 flat angles C4'-P-C4' energy: -158.347 flat angles P-C4'-P energy: -90.174 tors. eta vs tors. theta energy: -125.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1654.647095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.647095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.647095 (E_RNA) where: Base-Base interactions energy: -1071.520 where: short stacking energy: -496.752 Base-Backbone interact. energy: -1.024 local terms energy: -582.102635 where: bonds (distance) C4'-P energy: -138.759 bonds (distance) P-C4' energy: -138.097 flat angles C4'-P-C4' energy: -134.020 flat angles P-C4'-P energy: -90.979 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: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3461.893040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.893040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.893040 (E_RNA) where: Base-Base interactions energy: -2441.545 where: short stacking energy: -1038.151 Base-Backbone interact. energy: 0.700 local terms energy: -1021.047886 where: bonds (distance) C4'-P energy: -179.535 bonds (distance) P-C4' energy: -187.565 flat angles C4'-P-C4' energy: -211.136 flat angles P-C4'-P energy: -151.508 tors. eta vs tors. theta energy: -291.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3321.604436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.604436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.604436 (E_RNA) where: Base-Base interactions energy: -2364.204 where: short stacking energy: -954.605 Base-Backbone interact. energy: 1.446 local terms energy: -958.845959 where: bonds (distance) C4'-P energy: -182.782 bonds (distance) P-C4' energy: -153.080 flat angles C4'-P-C4' energy: -215.030 flat angles P-C4'-P energy: -142.615 tors. eta vs tors. theta energy: -265.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -3132.373084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.373084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.373084 (E_RNA) where: Base-Base interactions energy: -2171.184 where: short stacking energy: -964.925 Base-Backbone interact. energy: -1.068 local terms energy: -960.121161 where: bonds (distance) C4'-P energy: -168.069 bonds (distance) P-C4' energy: -195.239 flat angles C4'-P-C4' energy: -198.317 flat angles P-C4'-P energy: -130.261 tors. eta vs tors. theta energy: -268.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -3060.133717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.133717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.133717 (E_RNA) where: Base-Base interactions energy: -2171.122 where: short stacking energy: -917.518 Base-Backbone interact. energy: -3.527 local terms energy: -885.484996 where: bonds (distance) C4'-P energy: -149.096 bonds (distance) P-C4' energy: -177.717 flat angles C4'-P-C4' energy: -189.765 flat angles P-C4'-P energy: -135.663 tors. eta vs tors. theta energy: -233.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2876.801186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.801186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.801186 (E_RNA) where: Base-Base interactions energy: -2041.199 where: short stacking energy: -860.309 Base-Backbone interact. energy: -0.877 local terms energy: -834.725544 where: bonds (distance) C4'-P energy: -154.166 bonds (distance) P-C4' energy: -176.099 flat angles C4'-P-C4' energy: -179.035 flat angles P-C4'-P energy: -103.503 tors. eta vs tors. theta energy: -221.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2805.638174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.638174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.638174 (E_RNA) where: Base-Base interactions energy: -1970.812 where: short stacking energy: -819.343 Base-Backbone interact. energy: 1.098 local terms energy: -835.923526 where: bonds (distance) C4'-P energy: -170.613 bonds (distance) P-C4' energy: -161.649 flat angles C4'-P-C4' energy: -187.760 flat angles P-C4'-P energy: -108.321 tors. eta vs tors. theta energy: -207.581 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: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2644.366589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.366589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.366589 (E_RNA) where: Base-Base interactions energy: -1876.971 where: short stacking energy: -792.170 Base-Backbone interact. energy: 6.284 local terms energy: -773.678607 where: bonds (distance) C4'-P energy: -152.703 bonds (distance) P-C4' energy: -140.723 flat angles C4'-P-C4' energy: -173.275 flat angles P-C4'-P energy: -115.363 tors. eta vs tors. theta energy: -191.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -2225.301323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.301323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.301323 (E_RNA) where: Base-Base interactions energy: -1529.540 where: short stacking energy: -670.208 Base-Backbone interact. energy: 1.253 local terms energy: -697.015235 where: bonds (distance) C4'-P energy: -121.172 bonds (distance) P-C4' energy: -152.688 flat angles C4'-P-C4' energy: -180.468 flat angles P-C4'-P energy: -107.395 tors. eta vs tors. theta energy: -135.292 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: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1860.620768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.620768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.620768 (E_RNA) where: Base-Base interactions energy: -1182.623 where: short stacking energy: -556.742 Base-Backbone interact. energy: -4.454 local terms energy: -673.543330 where: bonds (distance) C4'-P energy: -152.122 bonds (distance) P-C4' energy: -152.774 flat angles C4'-P-C4' energy: -167.853 flat angles P-C4'-P energy: -97.943 tors. eta vs tors. theta energy: -102.851 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: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1652.446722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.446722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.446722 (E_RNA) where: Base-Base interactions energy: -1066.930 where: short stacking energy: -474.279 Base-Backbone interact. energy: 4.221 local terms energy: -589.737781 where: bonds (distance) C4'-P energy: -136.812 bonds (distance) P-C4' energy: -145.852 flat angles C4'-P-C4' energy: -144.209 flat angles P-C4'-P energy: -83.153 tors. eta vs tors. theta energy: -79.712 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: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3462.706152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3462.706152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3462.706152 (E_RNA) where: Base-Base interactions energy: -2456.440 where: short stacking energy: -1061.053 Base-Backbone interact. energy: 0.255 local terms energy: -1006.521429 where: bonds (distance) C4'-P energy: -175.198 bonds (distance) P-C4' energy: -186.760 flat angles C4'-P-C4' energy: -217.171 flat angles P-C4'-P energy: -135.649 tors. eta vs tors. theta energy: -291.742 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: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3296.566696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.566696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.566696 (E_RNA) where: Base-Base interactions energy: -2357.116 where: short stacking energy: -941.173 Base-Backbone interact. energy: -7.184 local terms energy: -932.266122 where: bonds (distance) C4'-P energy: -165.973 bonds (distance) P-C4' energy: -190.766 flat angles C4'-P-C4' energy: -197.245 flat angles P-C4'-P energy: -125.024 tors. eta vs tors. theta energy: -253.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -3135.719337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.719337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.719337 (E_RNA) where: Base-Base interactions energy: -2192.215 where: short stacking energy: -951.602 Base-Backbone interact. energy: -2.862 local terms energy: -940.641680 where: bonds (distance) C4'-P energy: -164.340 bonds (distance) P-C4' energy: -175.422 flat angles C4'-P-C4' energy: -216.848 flat angles P-C4'-P energy: -123.351 tors. eta vs tors. theta energy: -260.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -3009.164330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.164330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.164330 (E_RNA) where: Base-Base interactions energy: -2120.896 where: short stacking energy: -902.415 Base-Backbone interact. energy: -7.963 local terms energy: -880.304731 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -162.169 flat angles C4'-P-C4' energy: -200.473 flat angles P-C4'-P energy: -128.618 tors. eta vs tors. theta energy: -231.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2888.680644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.680644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.680644 (E_RNA) where: Base-Base interactions energy: -2038.214 where: short stacking energy: -857.375 Base-Backbone interact. energy: -3.632 local terms energy: -846.834602 where: bonds (distance) C4'-P energy: -161.655 bonds (distance) P-C4' energy: -162.060 flat angles C4'-P-C4' energy: -185.310 flat angles P-C4'-P energy: -114.758 tors. eta vs tors. theta energy: -223.051 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: 4 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2772.455102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.455102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.455102 (E_RNA) where: Base-Base interactions energy: -1960.420 where: short stacking energy: -802.664 Base-Backbone interact. energy: -0.013 local terms energy: -812.021849 where: bonds (distance) C4'-P energy: -140.614 bonds (distance) P-C4' energy: -171.503 flat angles C4'-P-C4' energy: -177.251 flat angles P-C4'-P energy: -118.608 tors. eta vs tors. theta energy: -204.047 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: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2648.083962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.083962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.083962 (E_RNA) where: Base-Base interactions energy: -1835.259 where: short stacking energy: -795.571 Base-Backbone interact. energy: -0.599 local terms energy: -812.225406 where: bonds (distance) C4'-P energy: -156.104 bonds (distance) P-C4' energy: -147.011 flat angles C4'-P-C4' energy: -194.659 flat angles P-C4'-P energy: -111.328 tors. eta vs tors. theta energy: -203.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2285.779068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2285.779068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2285.779068 (E_RNA) where: Base-Base interactions energy: -1538.368 where: short stacking energy: -688.728 Base-Backbone interact. energy: -1.684 local terms energy: -745.727093 where: bonds (distance) C4'-P energy: -137.067 bonds (distance) P-C4' energy: -178.633 flat angles C4'-P-C4' energy: -143.293 flat angles P-C4'-P energy: -118.406 tors. eta vs tors. theta energy: -168.329 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: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1847.339608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.339608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.339608 (E_RNA) where: Base-Base interactions energy: -1202.325 where: short stacking energy: -560.191 Base-Backbone interact. energy: 9.017 local terms energy: -654.031274 where: bonds (distance) C4'-P energy: -166.096 bonds (distance) P-C4' energy: -152.798 flat angles C4'-P-C4' energy: -150.509 flat angles P-C4'-P energy: -93.028 tors. eta vs tors. theta energy: -91.600 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: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1587.467067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.467067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.467067 (E_RNA) where: Base-Base interactions energy: -1023.162 where: short stacking energy: -482.406 Base-Backbone interact. energy: -2.402 local terms energy: -561.903212 where: bonds (distance) C4'-P energy: -124.197 bonds (distance) P-C4' energy: -138.758 flat angles C4'-P-C4' energy: -145.253 flat angles P-C4'-P energy: -87.409 tors. eta vs tors. theta energy: -66.287 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: 2 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3474.542575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3474.542575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3474.542575 (E_RNA) where: Base-Base interactions energy: -2464.282 where: short stacking energy: -1048.147 Base-Backbone interact. energy: -1.874 local terms energy: -1008.386953 where: bonds (distance) C4'-P energy: -174.208 bonds (distance) P-C4' energy: -178.834 flat angles C4'-P-C4' energy: -215.253 flat angles P-C4'-P energy: -145.815 tors. eta vs tors. theta energy: -294.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3296.710403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.710403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.710403 (E_RNA) where: Base-Base interactions energy: -2311.065 where: short stacking energy: -924.967 Base-Backbone interact. energy: -6.231 local terms energy: -979.413948 where: bonds (distance) C4'-P energy: -191.268 bonds (distance) P-C4' energy: -192.344 flat angles C4'-P-C4' energy: -197.092 flat angles P-C4'-P energy: -141.080 tors. eta vs tors. theta energy: -257.631 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: 9 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -3143.323125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.323125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.323125 (E_RNA) where: Base-Base interactions energy: -2193.094 where: short stacking energy: -968.074 Base-Backbone interact. energy: -1.160 local terms energy: -949.069263 where: bonds (distance) C4'-P energy: -174.414 bonds (distance) P-C4' energy: -185.872 flat angles C4'-P-C4' energy: -200.680 flat angles P-C4'-P energy: -128.137 tors. eta vs tors. theta energy: -259.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -3022.090270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.090270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.090270 (E_RNA) where: Base-Base interactions energy: -2117.146 where: short stacking energy: -897.997 Base-Backbone interact. energy: -6.938 local terms energy: -898.005503 where: bonds (distance) C4'-P energy: -163.267 bonds (distance) P-C4' energy: -175.441 flat angles C4'-P-C4' energy: -203.980 flat angles P-C4'-P energy: -127.920 tors. eta vs tors. theta energy: -227.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2837.658369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.658369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.658369 (E_RNA) where: Base-Base interactions energy: -2015.193 where: short stacking energy: -816.034 Base-Backbone interact. energy: -2.747 local terms energy: -819.718225 where: bonds (distance) C4'-P energy: -148.419 bonds (distance) P-C4' energy: -175.155 flat angles C4'-P-C4' energy: -176.899 flat angles P-C4'-P energy: -117.049 tors. eta vs tors. theta energy: -202.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2850.704187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.704187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.704187 (E_RNA) where: Base-Base interactions energy: -1990.277 where: short stacking energy: -849.190 Base-Backbone interact. energy: 3.347 local terms energy: -863.774001 where: bonds (distance) C4'-P energy: -157.958 bonds (distance) P-C4' energy: -170.216 flat angles C4'-P-C4' energy: -175.172 flat angles P-C4'-P energy: -136.405 tors. eta vs tors. theta energy: -224.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2610.736959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.736959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.736959 (E_RNA) where: Base-Base interactions energy: -1813.640 where: short stacking energy: -768.370 Base-Backbone interact. energy: -4.285 local terms energy: -792.812360 where: bonds (distance) C4'-P energy: -160.916 bonds (distance) P-C4' energy: -154.554 flat angles C4'-P-C4' energy: -163.603 flat angles P-C4'-P energy: -117.655 tors. eta vs tors. theta energy: -196.084 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: 8 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2262.120837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.120837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.120837 (E_RNA) where: Base-Base interactions energy: -1535.708 where: short stacking energy: -708.330 Base-Backbone interact. energy: 1.365 local terms energy: -727.777865 where: bonds (distance) C4'-P energy: -130.261 bonds (distance) P-C4' energy: -155.473 flat angles C4'-P-C4' energy: -189.675 flat angles P-C4'-P energy: -106.312 tors. eta vs tors. theta energy: -146.057 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: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1884.354961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.354961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.354961 (E_RNA) where: Base-Base interactions energy: -1260.584 where: short stacking energy: -560.771 Base-Backbone interact. energy: 4.988 local terms energy: -628.759577 where: bonds (distance) C4'-P energy: -130.245 bonds (distance) P-C4' energy: -141.264 flat angles C4'-P-C4' energy: -156.185 flat angles P-C4'-P energy: -85.202 tors. eta vs tors. theta energy: -115.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1615.395231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.395231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.395231 (E_RNA) where: Base-Base interactions energy: -1022.225 where: short stacking energy: -433.590 Base-Backbone interact. energy: -2.902 local terms energy: -590.268393 where: bonds (distance) C4'-P energy: -146.228 bonds (distance) P-C4' energy: -167.645 flat angles C4'-P-C4' energy: -130.240 flat angles P-C4'-P energy: -102.509 tors. eta vs tors. theta energy: -43.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3483.679236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3483.679236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3483.679236 (E_RNA) where: Base-Base interactions energy: -2461.448 where: short stacking energy: -1052.682 Base-Backbone interact. energy: -5.356 local terms energy: -1016.875582 where: bonds (distance) C4'-P energy: -182.746 bonds (distance) P-C4' energy: -189.372 flat angles C4'-P-C4' energy: -211.656 flat angles P-C4'-P energy: -137.596 tors. eta vs tors. theta energy: -295.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3302.261706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.261706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.261706 (E_RNA) where: Base-Base interactions energy: -2347.104 where: short stacking energy: -943.497 Base-Backbone interact. energy: -3.907 local terms energy: -951.250907 where: bonds (distance) C4'-P energy: -171.692 bonds (distance) P-C4' energy: -177.269 flat angles C4'-P-C4' energy: -196.047 flat angles P-C4'-P energy: -153.331 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: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -3136.621234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.621234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.621234 (E_RNA) where: Base-Base interactions energy: -2220.647 where: short stacking energy: -997.683 Base-Backbone interact. energy: -5.056 local terms energy: -910.919000 where: bonds (distance) C4'-P energy: -158.178 bonds (distance) P-C4' energy: -150.350 flat angles C4'-P-C4' energy: -188.643 flat angles P-C4'-P energy: -143.002 tors. eta vs tors. theta energy: -270.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -3048.399866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.399866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.399866 (E_RNA) where: Base-Base interactions energy: -2191.366 where: short stacking energy: -926.045 Base-Backbone interact. energy: 1.182 local terms energy: -858.216102 where: bonds (distance) C4'-P energy: -169.556 bonds (distance) P-C4' energy: -156.566 flat angles C4'-P-C4' energy: -196.489 flat angles P-C4'-P energy: -103.071 tors. eta vs tors. theta energy: -232.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2925.198065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.198065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.198065 (E_RNA) where: Base-Base interactions energy: -2092.438 where: short stacking energy: -850.014 Base-Backbone interact. energy: 4.578 local terms energy: -837.337998 where: bonds (distance) C4'-P energy: -141.505 bonds (distance) P-C4' energy: -162.063 flat angles C4'-P-C4' energy: -184.685 flat angles P-C4'-P energy: -135.363 tors. eta vs tors. theta energy: -213.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2848.790471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.790471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.790471 (E_RNA) where: Base-Base interactions energy: -2015.115 where: short stacking energy: -858.686 Base-Backbone interact. energy: -3.741 local terms energy: -829.934869 where: bonds (distance) C4'-P energy: -157.486 bonds (distance) P-C4' energy: -162.660 flat angles C4'-P-C4' energy: -182.214 flat angles P-C4'-P energy: -107.981 tors. eta vs tors. theta energy: -219.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2579.026935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.026935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.026935 (E_RNA) where: Base-Base interactions energy: -1810.909 where: short stacking energy: -769.037 Base-Backbone interact. energy: -2.441 local terms energy: -765.676444 where: bonds (distance) C4'-P energy: -154.436 bonds (distance) P-C4' energy: -153.725 flat angles C4'-P-C4' energy: -168.186 flat angles P-C4'-P energy: -106.589 tors. eta vs tors. theta energy: -182.740 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: 463 Temperature: 1.250000 Total energy: -2259.870999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.870999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.870999 (E_RNA) where: Base-Base interactions energy: -1581.247 where: short stacking energy: -705.334 Base-Backbone interact. energy: -3.376 local terms energy: -675.247540 where: bonds (distance) C4'-P energy: -134.166 bonds (distance) P-C4' energy: -145.037 flat angles C4'-P-C4' energy: -143.788 flat angles P-C4'-P energy: -85.546 tors. eta vs tors. theta energy: -166.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1892.348367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.348367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.348367 (E_RNA) where: Base-Base interactions energy: -1263.898 where: short stacking energy: -551.334 Base-Backbone interact. energy: 5.109 local terms energy: -633.559506 where: bonds (distance) C4'-P energy: -114.542 bonds (distance) P-C4' energy: -170.187 flat angles C4'-P-C4' energy: -158.209 flat angles P-C4'-P energy: -79.976 tors. eta vs tors. theta energy: -110.645 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: 463 Temperature: 1.350000 Total energy: -1631.342720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.342720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.342720 (E_RNA) where: Base-Base interactions energy: -1039.701 where: short stacking energy: -456.425 Base-Backbone interact. energy: 0.077 local terms energy: -591.718442 where: bonds (distance) C4'-P energy: -156.933 bonds (distance) P-C4' energy: -132.928 flat angles C4'-P-C4' energy: -144.528 flat angles P-C4'-P energy: -84.457 tors. eta vs tors. theta energy: -72.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3496.558522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3496.558522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3496.558522 (E_RNA) where: Base-Base interactions energy: -2466.526 where: short stacking energy: -1067.994 Base-Backbone interact. energy: -5.213 local terms energy: -1024.819529 where: bonds (distance) C4'-P energy: -181.755 bonds (distance) P-C4' energy: -196.794 flat angles C4'-P-C4' energy: -206.514 flat angles P-C4'-P energy: -151.525 tors. eta vs tors. theta energy: -288.231 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: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3309.541903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.541903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.541903 (E_RNA) where: Base-Base interactions energy: -2341.488 where: short stacking energy: -956.768 Base-Backbone interact. energy: -2.629 local terms energy: -965.425474 where: bonds (distance) C4'-P energy: -162.313 bonds (distance) P-C4' energy: -187.145 flat angles C4'-P-C4' energy: -206.545 flat angles P-C4'-P energy: -139.050 tors. eta vs tors. theta energy: -270.373 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: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -3198.637706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.637706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.637706 (E_RNA) where: Base-Base interactions energy: -2185.519 where: short stacking energy: -984.640 Base-Backbone interact. energy: -6.267 local terms energy: -1006.851877 where: bonds (distance) C4'-P energy: -181.107 bonds (distance) P-C4' energy: -186.210 flat angles C4'-P-C4' energy: -204.963 flat angles P-C4'-P energy: -156.642 tors. eta vs tors. theta energy: -277.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -3071.583470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.583470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.583470 (E_RNA) where: Base-Base interactions energy: -2180.125 where: short stacking energy: -910.602 Base-Backbone interact. energy: -2.473 local terms energy: -888.985419 where: bonds (distance) C4'-P energy: -162.365 bonds (distance) P-C4' energy: -168.283 flat angles C4'-P-C4' energy: -203.503 flat angles P-C4'-P energy: -113.063 tors. eta vs tors. theta energy: -241.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2922.447988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.447988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.447988 (E_RNA) where: Base-Base interactions energy: -2107.999 where: short stacking energy: -871.344 Base-Backbone interact. energy: -4.880 local terms energy: -809.568826 where: bonds (distance) C4'-P energy: -166.329 bonds (distance) P-C4' energy: -153.262 flat angles C4'-P-C4' energy: -189.017 flat angles P-C4'-P energy: -90.047 tors. eta vs tors. theta energy: -210.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2809.462469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.462469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.462469 (E_RNA) where: Base-Base interactions energy: -1976.779 where: short stacking energy: -831.932 Base-Backbone interact. energy: -0.912 local terms energy: -831.771806 where: bonds (distance) C4'-P energy: -160.238 bonds (distance) P-C4' energy: -162.914 flat angles C4'-P-C4' energy: -165.437 flat angles P-C4'-P energy: -112.804 tors. eta vs tors. theta energy: -230.379 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: 1 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2619.680676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.680676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.680676 (E_RNA) where: Base-Base interactions energy: -1840.926 where: short stacking energy: -790.166 Base-Backbone interact. energy: 2.379 local terms energy: -781.133217 where: bonds (distance) C4'-P energy: -154.040 bonds (distance) P-C4' energy: -141.732 flat angles C4'-P-C4' energy: -164.758 flat angles P-C4'-P energy: -111.889 tors. eta vs tors. theta energy: -208.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2199.441655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.441655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.441655 (E_RNA) where: Base-Base interactions energy: -1466.939 where: short stacking energy: -662.482 Base-Backbone interact. energy: 3.655 local terms energy: -736.157826 where: bonds (distance) C4'-P energy: -123.197 bonds (distance) P-C4' energy: -155.489 flat angles C4'-P-C4' energy: -174.579 flat angles P-C4'-P energy: -106.829 tors. eta vs tors. theta energy: -176.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1978.037906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.037906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.037906 (E_RNA) where: Base-Base interactions energy: -1338.634 where: short stacking energy: -594.874 Base-Backbone interact. energy: -0.762 local terms energy: -638.642330 where: bonds (distance) C4'-P energy: -132.925 bonds (distance) P-C4' energy: -133.126 flat angles C4'-P-C4' energy: -153.040 flat angles P-C4'-P energy: -108.429 tors. eta vs tors. theta energy: -111.123 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: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1643.280239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.280239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.280239 (E_RNA) where: Base-Base interactions energy: -1057.237 where: short stacking energy: -474.629 Base-Backbone interact. energy: 1.699 local terms energy: -587.741800 where: bonds (distance) C4'-P energy: -132.753 bonds (distance) P-C4' energy: -149.896 flat angles C4'-P-C4' energy: -154.007 flat angles P-C4'-P energy: -89.944 tors. eta vs tors. theta energy: -61.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3473.130635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.130635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.130635 (E_RNA) where: Base-Base interactions energy: -2434.239 where: short stacking energy: -1059.885 Base-Backbone interact. energy: -5.959 local terms energy: -1032.932809 where: bonds (distance) C4'-P energy: -182.373 bonds (distance) P-C4' energy: -181.421 flat angles C4'-P-C4' energy: -219.008 flat angles P-C4'-P energy: -154.500 tors. eta vs tors. theta energy: -295.631 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: 6 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3314.718957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.718957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.718957 (E_RNA) where: Base-Base interactions energy: -2369.118 where: short stacking energy: -968.429 Base-Backbone interact. energy: -5.402 local terms energy: -940.198611 where: bonds (distance) C4'-P energy: -168.109 bonds (distance) P-C4' energy: -170.384 flat angles C4'-P-C4' energy: -209.314 flat angles P-C4'-P energy: -124.682 tors. eta vs tors. theta energy: -267.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -3181.201041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.201041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.201041 (E_RNA) where: Base-Base interactions energy: -2211.390 where: short stacking energy: -994.340 Base-Backbone interact. energy: -2.985 local terms energy: -966.825553 where: bonds (distance) C4'-P energy: -172.101 bonds (distance) P-C4' energy: -170.696 flat angles C4'-P-C4' energy: -199.234 flat angles P-C4'-P energy: -150.048 tors. eta vs tors. theta energy: -274.747 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: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -3036.727322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.727322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.727322 (E_RNA) where: Base-Base interactions energy: -2169.160 where: short stacking energy: -908.295 Base-Backbone interact. energy: -4.689 local terms energy: -862.878535 where: bonds (distance) C4'-P energy: -152.006 bonds (distance) P-C4' energy: -162.305 flat angles C4'-P-C4' energy: -202.621 flat angles P-C4'-P energy: -109.132 tors. eta vs tors. theta energy: -236.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2867.308302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.308302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.308302 (E_RNA) where: Base-Base interactions energy: -2024.953 where: short stacking energy: -845.824 Base-Backbone interact. energy: 7.764 local terms energy: -850.119351 where: bonds (distance) C4'-P energy: -157.774 bonds (distance) P-C4' energy: -161.992 flat angles C4'-P-C4' energy: -179.391 flat angles P-C4'-P energy: -122.088 tors. eta vs tors. theta energy: -228.875 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: 4 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2804.487155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.487155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.487155 (E_RNA) where: Base-Base interactions energy: -1988.993 where: short stacking energy: -835.060 Base-Backbone interact. energy: -3.953 local terms energy: -811.541407 where: bonds (distance) C4'-P energy: -147.684 bonds (distance) P-C4' energy: -148.502 flat angles C4'-P-C4' energy: -188.663 flat angles P-C4'-P energy: -111.019 tors. eta vs tors. theta energy: -215.673 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: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2658.868776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.868776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.868776 (E_RNA) where: Base-Base interactions energy: -1854.805 where: short stacking energy: -811.548 Base-Backbone interact. energy: -2.537 local terms energy: -801.526243 where: bonds (distance) C4'-P energy: -163.400 bonds (distance) P-C4' energy: -143.844 flat angles C4'-P-C4' energy: -171.388 flat angles P-C4'-P energy: -109.472 tors. eta vs tors. theta energy: -213.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2235.386210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.386210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.386210 (E_RNA) where: Base-Base interactions energy: -1515.409 where: short stacking energy: -675.621 Base-Backbone interact. energy: -1.546 local terms energy: -718.431533 where: bonds (distance) C4'-P energy: -143.294 bonds (distance) P-C4' energy: -164.154 flat angles C4'-P-C4' energy: -167.651 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: -165.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -2002.317512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.317512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.317512 (E_RNA) where: Base-Base interactions energy: -1321.341 where: short stacking energy: -611.744 Base-Backbone interact. energy: -1.163 local terms energy: -679.813254 where: bonds (distance) C4'-P energy: -139.252 bonds (distance) P-C4' energy: -152.792 flat angles C4'-P-C4' energy: -155.662 flat angles P-C4'-P energy: -102.338 tors. eta vs tors. theta energy: -129.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1654.961345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.961345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.961345 (E_RNA) where: Base-Base interactions energy: -1072.205 where: short stacking energy: -467.801 Base-Backbone interact. energy: 2.443 local terms energy: -585.199180 where: bonds (distance) C4'-P energy: -119.682 bonds (distance) P-C4' energy: -136.719 flat angles C4'-P-C4' energy: -169.964 flat angles P-C4'-P energy: -94.664 tors. eta vs tors. theta energy: -64.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3473.149153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3473.149153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3473.149153 (E_RNA) where: Base-Base interactions energy: -2470.077 where: short stacking energy: -1043.520 Base-Backbone interact. energy: -0.419 local terms energy: -1002.653469 where: bonds (distance) C4'-P energy: -186.168 bonds (distance) P-C4' energy: -172.187 flat angles C4'-P-C4' energy: -211.682 flat angles P-C4'-P energy: -144.230 tors. eta vs tors. theta energy: -288.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3332.048568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.048568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.048568 (E_RNA) where: Base-Base interactions energy: -2347.327 where: short stacking energy: -958.687 Base-Backbone interact. energy: -2.393 local terms energy: -982.328423 where: bonds (distance) C4'-P energy: -174.027 bonds (distance) P-C4' energy: -191.088 flat angles C4'-P-C4' energy: -215.333 flat angles P-C4'-P energy: -130.577 tors. eta vs tors. theta energy: -271.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -3228.486914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.486914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.486914 (E_RNA) where: Base-Base interactions energy: -2262.725 where: short stacking energy: -1002.752 Base-Backbone interact. energy: -1.364 local terms energy: -964.398139 where: bonds (distance) C4'-P energy: -165.017 bonds (distance) P-C4' energy: -181.875 flat angles C4'-P-C4' energy: -204.558 flat angles P-C4'-P energy: -130.998 tors. eta vs tors. theta energy: -281.951 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -3092.449707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.449707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.449707 (E_RNA) where: Base-Base interactions energy: -2191.140 where: short stacking energy: -918.902 Base-Backbone interact. energy: 1.176 local terms energy: -902.485795 where: bonds (distance) C4'-P energy: -174.551 bonds (distance) P-C4' energy: -152.421 flat angles C4'-P-C4' energy: -209.592 flat angles P-C4'-P energy: -126.530 tors. eta vs tors. theta energy: -239.392 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: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2912.111054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.111054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.111054 (E_RNA) where: Base-Base interactions energy: -2071.442 where: short stacking energy: -849.245 Base-Backbone interact. energy: -1.767 local terms energy: -838.902497 where: bonds (distance) C4'-P energy: -160.293 bonds (distance) P-C4' energy: -174.077 flat angles C4'-P-C4' energy: -163.070 flat angles P-C4'-P energy: -131.179 tors. eta vs tors. theta energy: -210.283 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: 4 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2871.922590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.922590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.922590 (E_RNA) where: Base-Base interactions energy: -2039.745 where: short stacking energy: -870.031 Base-Backbone interact. energy: 3.496 local terms energy: -835.674395 where: bonds (distance) C4'-P energy: -153.318 bonds (distance) P-C4' energy: -156.474 flat angles C4'-P-C4' energy: -196.925 flat angles P-C4'-P energy: -114.347 tors. eta vs tors. theta energy: -214.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2750.349317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.349317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.349317 (E_RNA) where: Base-Base interactions energy: -1960.833 where: short stacking energy: -835.147 Base-Backbone interact. energy: -2.966 local terms energy: -786.550803 where: bonds (distance) C4'-P energy: -138.999 bonds (distance) P-C4' energy: -126.326 flat angles C4'-P-C4' energy: -185.200 flat angles P-C4'-P energy: -107.223 tors. eta vs tors. theta energy: -228.804 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: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -2229.930609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2229.930609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2229.930609 (E_RNA) where: Base-Base interactions energy: -1506.673 where: short stacking energy: -690.591 Base-Backbone interact. energy: -1.283 local terms energy: -721.975005 where: bonds (distance) C4'-P energy: -134.701 bonds (distance) P-C4' energy: -187.194 flat angles C4'-P-C4' energy: -153.825 flat angles P-C4'-P energy: -90.601 tors. eta vs tors. theta energy: -155.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1967.087851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.087851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.087851 (E_RNA) where: Base-Base interactions energy: -1294.533 where: short stacking energy: -576.624 Base-Backbone interact. energy: -2.880 local terms energy: -669.675215 where: bonds (distance) C4'-P energy: -151.456 bonds (distance) P-C4' energy: -146.280 flat angles C4'-P-C4' energy: -159.179 flat angles P-C4'-P energy: -95.044 tors. eta vs tors. theta energy: -117.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1646.750331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.750331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.750331 (E_RNA) where: Base-Base interactions energy: -1041.940 where: short stacking energy: -455.836 Base-Backbone interact. energy: -2.082 local terms energy: -602.727849 where: bonds (distance) C4'-P energy: -157.376 bonds (distance) P-C4' energy: -134.175 flat angles C4'-P-C4' energy: -158.605 flat angles P-C4'-P energy: -82.312 tors. eta vs tors. theta energy: -70.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3453.071305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3453.071305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3453.071305 (E_RNA) where: Base-Base interactions energy: -2423.621 where: short stacking energy: -1040.138 Base-Backbone interact. energy: -3.111 local terms energy: -1026.339215 where: bonds (distance) C4'-P energy: -190.710 bonds (distance) P-C4' energy: -177.311 flat angles C4'-P-C4' energy: -221.480 flat angles P-C4'-P energy: -148.523 tors. eta vs tors. theta energy: -288.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3320.027184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.027184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.027184 (E_RNA) where: Base-Base interactions energy: -2349.162 where: short stacking energy: -932.499 Base-Backbone interact. energy: -6.768 local terms energy: -964.097332 where: bonds (distance) C4'-P energy: -185.370 bonds (distance) P-C4' energy: -184.138 flat angles C4'-P-C4' energy: -196.127 flat angles P-C4'-P energy: -141.149 tors. eta vs tors. theta energy: -257.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -3216.897120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.897120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.897120 (E_RNA) where: Base-Base interactions energy: -2247.319 where: short stacking energy: -994.383 Base-Backbone interact. energy: 4.533 local terms energy: -974.110769 where: bonds (distance) C4'-P energy: -168.828 bonds (distance) P-C4' energy: -180.747 flat angles C4'-P-C4' energy: -200.951 flat angles P-C4'-P energy: -152.410 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: 4, replica: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -3025.731260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.731260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.731260 (E_RNA) where: Base-Base interactions energy: -2181.348 where: short stacking energy: -896.880 Base-Backbone interact. energy: 8.750 local terms energy: -853.133462 where: bonds (distance) C4'-P energy: -154.499 bonds (distance) P-C4' energy: -157.195 flat angles C4'-P-C4' energy: -179.696 flat angles P-C4'-P energy: -131.474 tors. eta vs tors. theta energy: -230.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2884.447587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.447587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.447587 (E_RNA) where: Base-Base interactions energy: -2040.946 where: short stacking energy: -858.147 Base-Backbone interact. energy: -2.136 local terms energy: -841.365331 where: bonds (distance) C4'-P energy: -148.760 bonds (distance) P-C4' energy: -167.620 flat angles C4'-P-C4' energy: -187.228 flat angles P-C4'-P energy: -121.606 tors. eta vs tors. theta energy: -216.152 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: 4 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2839.570560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.570560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.570560 (E_RNA) where: Base-Base interactions energy: -2007.540 where: short stacking energy: -832.414 Base-Backbone interact. energy: 0.222 local terms energy: -832.252621 where: bonds (distance) C4'-P energy: -166.726 bonds (distance) P-C4' energy: -145.614 flat angles C4'-P-C4' energy: -178.855 flat angles P-C4'-P energy: -126.684 tors. eta vs tors. theta energy: -214.373 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: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2821.489731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.489731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.489731 (E_RNA) where: Base-Base interactions energy: -1972.386 where: short stacking energy: -847.631 Base-Backbone interact. energy: -2.311 local terms energy: -846.793585 where: bonds (distance) C4'-P energy: -145.607 bonds (distance) P-C4' energy: -148.680 flat angles C4'-P-C4' energy: -187.916 flat angles P-C4'-P energy: -129.678 tors. eta vs tors. theta energy: -234.913 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: 8, replica: 8 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -2186.644251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.644251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.644251 (E_RNA) where: Base-Base interactions energy: -1492.405 where: short stacking energy: -677.996 Base-Backbone interact. energy: -2.368 local terms energy: -691.871162 where: bonds (distance) C4'-P energy: -145.438 bonds (distance) P-C4' energy: -137.560 flat angles C4'-P-C4' energy: -149.506 flat angles P-C4'-P energy: -102.732 tors. eta vs tors. theta energy: -156.634 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: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1935.953587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.953587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.953587 (E_RNA) where: Base-Base interactions energy: -1292.634 where: short stacking energy: -570.320 Base-Backbone interact. energy: 6.674 local terms energy: -649.993142 where: bonds (distance) C4'-P energy: -156.636 bonds (distance) P-C4' energy: -142.288 flat angles C4'-P-C4' energy: -150.934 flat angles P-C4'-P energy: -86.849 tors. eta vs tors. theta energy: -113.286 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: 467 Temperature: 1.350000 Total energy: -1734.790500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.790500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.790500 (E_RNA) where: Base-Base interactions energy: -1132.966 where: short stacking energy: -527.207 Base-Backbone interact. energy: 0.736 local terms energy: -602.560475 where: bonds (distance) C4'-P energy: -137.087 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -126.366 flat angles P-C4'-P energy: -100.315 tors. eta vs tors. theta energy: -99.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3469.343217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3469.343217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3469.343217 (E_RNA) where: Base-Base interactions energy: -2458.744 where: short stacking energy: -1045.187 Base-Backbone interact. energy: -7.646 local terms energy: -1002.953606 where: bonds (distance) C4'-P energy: -189.461 bonds (distance) P-C4' energy: -172.849 flat angles C4'-P-C4' energy: -205.812 flat angles P-C4'-P energy: -151.419 tors. eta vs tors. theta energy: -283.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3303.724885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.724885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.724885 (E_RNA) where: Base-Base interactions energy: -2362.420 where: short stacking energy: -948.590 Base-Backbone interact. energy: -4.054 local terms energy: -937.251022 where: bonds (distance) C4'-P energy: -162.997 bonds (distance) P-C4' energy: -185.724 flat angles C4'-P-C4' energy: -208.329 flat angles P-C4'-P energy: -125.526 tors. eta vs tors. theta energy: -254.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -3187.417470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.417470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.417470 (E_RNA) where: Base-Base interactions energy: -2204.121 where: short stacking energy: -972.258 Base-Backbone interact. energy: -2.698 local terms energy: -980.599076 where: bonds (distance) C4'-P energy: -176.917 bonds (distance) P-C4' energy: -179.788 flat angles C4'-P-C4' energy: -201.677 flat angles P-C4'-P energy: -146.408 tors. eta vs tors. theta energy: -275.808 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: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -3008.912841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.912841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.912841 (E_RNA) where: Base-Base interactions energy: -2141.089 where: short stacking energy: -907.502 Base-Backbone interact. energy: -2.060 local terms energy: -865.763941 where: bonds (distance) C4'-P energy: -146.728 bonds (distance) P-C4' energy: -175.643 flat angles C4'-P-C4' energy: -187.951 flat angles P-C4'-P energy: -110.311 tors. eta vs tors. theta energy: -245.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2945.624592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.624592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.624592 (E_RNA) where: Base-Base interactions energy: -2095.255 where: short stacking energy: -888.140 Base-Backbone interact. energy: -6.614 local terms energy: -843.755486 where: bonds (distance) C4'-P energy: -128.759 bonds (distance) P-C4' energy: -158.752 flat angles C4'-P-C4' energy: -186.433 flat angles P-C4'-P energy: -126.212 tors. eta vs tors. theta energy: -243.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2825.035485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.035485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.035485 (E_RNA) where: Base-Base interactions energy: -1974.322 where: short stacking energy: -823.079 Base-Backbone interact. energy: -3.132 local terms energy: -847.581253 where: bonds (distance) C4'-P energy: -168.270 bonds (distance) P-C4' energy: -156.819 flat angles C4'-P-C4' energy: -185.776 flat angles P-C4'-P energy: -101.111 tors. eta vs tors. theta energy: -235.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2745.634645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.634645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.634645 (E_RNA) where: Base-Base interactions energy: -1932.010 where: short stacking energy: -790.549 Base-Backbone interact. energy: 6.725 local terms energy: -820.349903 where: bonds (distance) C4'-P energy: -140.363 bonds (distance) P-C4' energy: -158.758 flat angles C4'-P-C4' energy: -181.839 flat angles P-C4'-P energy: -117.746 tors. eta vs tors. theta energy: -221.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -2171.527209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.527209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.527209 (E_RNA) where: Base-Base interactions energy: -1485.169 where: short stacking energy: -670.049 Base-Backbone interact. energy: 0.434 local terms energy: -686.792053 where: bonds (distance) C4'-P energy: -115.958 bonds (distance) P-C4' energy: -166.870 flat angles C4'-P-C4' energy: -162.437 flat angles P-C4'-P energy: -95.786 tors. eta vs tors. theta energy: -145.740 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: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1948.664735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.664735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.664735 (E_RNA) where: Base-Base interactions energy: -1298.408 where: short stacking energy: -594.722 Base-Backbone interact. energy: -3.846 local terms energy: -646.411094 where: bonds (distance) C4'-P energy: -143.753 bonds (distance) P-C4' energy: -149.164 flat angles C4'-P-C4' energy: -163.756 flat angles P-C4'-P energy: -72.510 tors. eta vs tors. theta energy: -117.228 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: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1679.109101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.109101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.109101 (E_RNA) where: Base-Base interactions energy: -1091.038 where: short stacking energy: -479.766 Base-Backbone interact. energy: 1.973 local terms energy: -590.044287 where: bonds (distance) C4'-P energy: -128.798 bonds (distance) P-C4' energy: -136.154 flat angles C4'-P-C4' energy: -140.163 flat angles P-C4'-P energy: -97.612 tors. eta vs tors. theta energy: -87.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3468.475608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3468.475608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3468.475608 (E_RNA) where: Base-Base interactions energy: -2462.844 where: short stacking energy: -1061.275 Base-Backbone interact. energy: -7.126 local terms energy: -998.505077 where: bonds (distance) C4'-P energy: -164.333 bonds (distance) P-C4' energy: -178.867 flat angles C4'-P-C4' energy: -214.549 flat angles P-C4'-P energy: -151.489 tors. eta vs tors. theta energy: -289.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3323.915850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.915850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.915850 (E_RNA) where: Base-Base interactions energy: -2377.558 where: short stacking energy: -941.667 Base-Backbone interact. energy: -1.834 local terms energy: -944.524692 where: bonds (distance) C4'-P energy: -167.851 bonds (distance) P-C4' energy: -174.704 flat angles C4'-P-C4' energy: -204.822 flat angles P-C4'-P energy: -146.642 tors. eta vs tors. theta energy: -250.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -3186.643014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.643014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.643014 (E_RNA) where: Base-Base interactions energy: -2240.678 where: short stacking energy: -993.114 Base-Backbone interact. energy: -0.750 local terms energy: -945.215091 where: bonds (distance) C4'-P energy: -167.378 bonds (distance) P-C4' energy: -168.300 flat angles C4'-P-C4' energy: -203.682 flat angles P-C4'-P energy: -129.107 tors. eta vs tors. theta energy: -276.748 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: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -3016.182369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.182369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.182369 (E_RNA) where: Base-Base interactions energy: -2127.503 where: short stacking energy: -892.813 Base-Backbone interact. energy: -2.416 local terms energy: -886.263751 where: bonds (distance) C4'-P energy: -168.666 bonds (distance) P-C4' energy: -166.279 flat angles C4'-P-C4' energy: -187.424 flat angles P-C4'-P energy: -128.765 tors. eta vs tors. theta energy: -235.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2914.977152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.977152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.977152 (E_RNA) where: Base-Base interactions energy: -2027.640 where: short stacking energy: -857.351 Base-Backbone interact. energy: 2.099 local terms energy: -889.436374 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -182.949 flat angles C4'-P-C4' energy: -188.605 flat angles P-C4'-P energy: -127.607 tors. eta vs tors. theta energy: -237.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2769.598679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.598679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.598679 (E_RNA) where: Base-Base interactions energy: -1940.065 where: short stacking energy: -815.574 Base-Backbone interact. energy: -5.268 local terms energy: -824.265554 where: bonds (distance) C4'-P energy: -149.553 bonds (distance) P-C4' energy: -164.025 flat angles C4'-P-C4' energy: -191.833 flat angles P-C4'-P energy: -115.147 tors. eta vs tors. theta energy: -203.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2723.319059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.319059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.319059 (E_RNA) where: Base-Base interactions energy: -1934.030 where: short stacking energy: -794.302 Base-Backbone interact. energy: 0.359 local terms energy: -789.648073 where: bonds (distance) C4'-P energy: -135.342 bonds (distance) P-C4' energy: -158.972 flat angles C4'-P-C4' energy: -185.976 flat angles P-C4'-P energy: -110.780 tors. eta vs tors. theta energy: -198.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -2123.638747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2123.638747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2123.638747 (E_RNA) where: Base-Base interactions energy: -1449.172 where: short stacking energy: -614.530 Base-Backbone interact. energy: 1.159 local terms energy: -675.625554 where: bonds (distance) C4'-P energy: -171.934 bonds (distance) P-C4' energy: -126.641 flat angles C4'-P-C4' energy: -150.696 flat angles P-C4'-P energy: -91.580 tors. eta vs tors. theta energy: -134.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -2001.300021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2001.300021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2001.300021 (E_RNA) where: Base-Base interactions energy: -1334.182 where: short stacking energy: -569.789 Base-Backbone interact. energy: 3.980 local terms energy: -671.097958 where: bonds (distance) C4'-P energy: -156.294 bonds (distance) P-C4' energy: -147.179 flat angles C4'-P-C4' energy: -155.129 flat angles P-C4'-P energy: -93.211 tors. eta vs tors. theta energy: -119.286 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: 469 Temperature: 1.350000 Total energy: -1653.577756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.577756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.577756 (E_RNA) where: Base-Base interactions energy: -1064.586 where: short stacking energy: -462.503 Base-Backbone interact. energy: 3.310 local terms energy: -592.301439 where: bonds (distance) C4'-P energy: -137.463 bonds (distance) P-C4' energy: -145.874 flat angles C4'-P-C4' energy: -140.094 flat angles P-C4'-P energy: -96.211 tors. eta vs tors. theta energy: -72.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3458.900844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3458.900844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3458.900844 (E_RNA) where: Base-Base interactions energy: -2464.914 where: short stacking energy: -1071.237 Base-Backbone interact. energy: -4.385 local terms energy: -989.601774 where: bonds (distance) C4'-P energy: -161.149 bonds (distance) P-C4' energy: -179.381 flat angles C4'-P-C4' energy: -196.907 flat angles P-C4'-P energy: -155.251 tors. eta vs tors. theta energy: -296.914 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: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3350.656677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.656677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.656677 (E_RNA) where: Base-Base interactions energy: -2395.828 where: short stacking energy: -950.106 Base-Backbone interact. energy: -1.996 local terms energy: -952.832711 where: bonds (distance) C4'-P energy: -171.423 bonds (distance) P-C4' energy: -167.875 flat angles C4'-P-C4' energy: -205.617 flat angles P-C4'-P energy: -151.666 tors. eta vs tors. theta energy: -256.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -3220.465580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.465580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.465580 (E_RNA) where: Base-Base interactions energy: -2227.452 where: short stacking energy: -998.422 Base-Backbone interact. energy: -3.856 local terms energy: -989.158104 where: bonds (distance) C4'-P energy: -170.255 bonds (distance) P-C4' energy: -190.678 flat angles C4'-P-C4' energy: -223.054 flat angles P-C4'-P energy: -125.865 tors. eta vs tors. theta energy: -279.305 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: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2978.569802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.569802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.569802 (E_RNA) where: Base-Base interactions energy: -2103.621 where: short stacking energy: -894.795 Base-Backbone interact. energy: 2.936 local terms energy: -877.884930 where: bonds (distance) C4'-P energy: -157.742 bonds (distance) P-C4' energy: -171.192 flat angles C4'-P-C4' energy: -197.139 flat angles P-C4'-P energy: -115.522 tors. eta vs tors. theta energy: -236.290 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: 470 Temperature: 1.100000 Total energy: -2905.569927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.569927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.569927 (E_RNA) where: Base-Base interactions energy: -2029.900 where: short stacking energy: -853.255 Base-Backbone interact. energy: -1.744 local terms energy: -873.925134 where: bonds (distance) C4'-P energy: -162.477 bonds (distance) P-C4' energy: -169.926 flat angles C4'-P-C4' energy: -183.022 flat angles P-C4'-P energy: -128.599 tors. eta vs tors. theta energy: -229.902 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: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2805.090045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2805.090045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2805.090045 (E_RNA) where: Base-Base interactions energy: -1940.801 where: short stacking energy: -835.657 Base-Backbone interact. energy: 3.961 local terms energy: -868.250553 where: bonds (distance) C4'-P energy: -157.425 bonds (distance) P-C4' energy: -163.749 flat angles C4'-P-C4' energy: -190.336 flat angles P-C4'-P energy: -133.754 tors. eta vs tors. theta energy: -222.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2777.862376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.862376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.862376 (E_RNA) where: Base-Base interactions energy: -1975.409 where: short stacking energy: -826.287 Base-Backbone interact. energy: -1.657 local terms energy: -800.796931 where: bonds (distance) C4'-P energy: -147.708 bonds (distance) P-C4' energy: -143.679 flat angles C4'-P-C4' energy: -167.085 flat angles P-C4'-P energy: -126.474 tors. eta vs tors. theta energy: -215.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -2127.454760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2127.454760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2127.454760 (E_RNA) where: Base-Base interactions energy: -1427.462 where: short stacking energy: -652.352 Base-Backbone interact. energy: 1.258 local terms energy: -701.250413 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -152.615 flat angles C4'-P-C4' energy: -167.603 flat angles P-C4'-P energy: -77.533 tors. eta vs tors. theta energy: -160.516 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: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -2060.614896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.614896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.614896 (E_RNA) where: Base-Base interactions energy: -1414.711 where: short stacking energy: -614.278 Base-Backbone interact. energy: -5.351 local terms energy: -640.553588 where: bonds (distance) C4'-P energy: -125.385 bonds (distance) P-C4' energy: -141.455 flat angles C4'-P-C4' energy: -168.657 flat angles P-C4'-P energy: -101.474 tors. eta vs tors. theta energy: -103.583 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: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1626.696618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.696618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.696618 (E_RNA) where: Base-Base interactions energy: -1073.962 where: short stacking energy: -474.299 Base-Backbone interact. energy: 0.269 local terms energy: -553.003437 where: bonds (distance) C4'-P energy: -137.547 bonds (distance) P-C4' energy: -119.832 flat angles C4'-P-C4' energy: -141.352 flat angles P-C4'-P energy: -89.007 tors. eta vs tors. theta energy: -65.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3479.117922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3479.117922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3479.117922 (E_RNA) where: Base-Base interactions energy: -2469.149 where: short stacking energy: -1054.212 Base-Backbone interact. energy: -3.832 local terms energy: -1006.137582 where: bonds (distance) C4'-P energy: -168.668 bonds (distance) P-C4' energy: -191.187 flat angles C4'-P-C4' energy: -213.565 flat angles P-C4'-P energy: -139.076 tors. eta vs tors. theta energy: -293.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3311.108424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.108424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.108424 (E_RNA) where: Base-Base interactions energy: -2369.904 where: short stacking energy: -937.322 Base-Backbone interact. energy: 2.495 local terms energy: -943.699527 where: bonds (distance) C4'-P energy: -172.785 bonds (distance) P-C4' energy: -182.084 flat angles C4'-P-C4' energy: -196.699 flat angles P-C4'-P energy: -148.585 tors. eta vs tors. theta energy: -243.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -3227.141975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.141975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.141975 (E_RNA) where: Base-Base interactions energy: -2263.087 where: short stacking energy: -1036.600 Base-Backbone interact. energy: -4.021 local terms energy: -960.033717 where: bonds (distance) C4'-P energy: -178.002 bonds (distance) P-C4' energy: -159.919 flat angles C4'-P-C4' energy: -206.584 flat angles P-C4'-P energy: -131.842 tors. eta vs tors. theta energy: -283.686 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: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -3012.636383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.636383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.636383 (E_RNA) where: Base-Base interactions energy: -2160.792 where: short stacking energy: -925.722 Base-Backbone interact. energy: 6.771 local terms energy: -858.614954 where: bonds (distance) C4'-P energy: -152.068 bonds (distance) P-C4' energy: -160.515 flat angles C4'-P-C4' energy: -189.203 flat angles P-C4'-P energy: -122.718 tors. eta vs tors. theta energy: -234.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2938.102167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.102167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.102167 (E_RNA) where: Base-Base interactions energy: -2113.751 where: short stacking energy: -875.860 Base-Backbone interact. energy: -6.723 local terms energy: -817.628016 where: bonds (distance) C4'-P energy: -142.935 bonds (distance) P-C4' energy: -153.272 flat angles C4'-P-C4' energy: -182.945 flat angles P-C4'-P energy: -115.309 tors. eta vs tors. theta energy: -223.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2771.514476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.514476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.514476 (E_RNA) where: Base-Base interactions energy: -1932.763 where: short stacking energy: -826.641 Base-Backbone interact. energy: 0.660 local terms energy: -839.411155 where: bonds (distance) C4'-P energy: -162.598 bonds (distance) P-C4' energy: -165.012 flat angles C4'-P-C4' energy: -167.520 flat angles P-C4'-P energy: -120.706 tors. eta vs tors. theta energy: -223.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2689.209109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.209109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.209109 (E_RNA) where: Base-Base interactions energy: -1880.489 where: short stacking energy: -789.642 Base-Backbone interact. energy: 1.777 local terms energy: -810.497286 where: bonds (distance) C4'-P energy: -146.004 bonds (distance) P-C4' energy: -155.523 flat angles C4'-P-C4' energy: -189.373 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -207.762 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: 3 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -2065.588836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.588836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.588836 (E_RNA) where: Base-Base interactions energy: -1419.515 where: short stacking energy: -629.613 Base-Backbone interact. energy: 2.289 local terms energy: -648.362599 where: bonds (distance) C4'-P energy: -114.952 bonds (distance) P-C4' energy: -159.436 flat angles C4'-P-C4' energy: -152.230 flat angles P-C4'-P energy: -80.301 tors. eta vs tors. theta energy: -141.444 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: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -2027.126376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.126376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.126376 (E_RNA) where: Base-Base interactions energy: -1381.825 where: short stacking energy: -620.915 Base-Backbone interact. energy: -2.674 local terms energy: -642.627014 where: bonds (distance) C4'-P energy: -118.416 bonds (distance) P-C4' energy: -147.123 flat angles C4'-P-C4' energy: -164.778 flat angles P-C4'-P energy: -79.057 tors. eta vs tors. theta energy: -133.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1657.218653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.218653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.218653 (E_RNA) where: Base-Base interactions energy: -1089.459 where: short stacking energy: -502.048 Base-Backbone interact. energy: 2.446 local terms energy: -570.205689 where: bonds (distance) C4'-P energy: -138.866 bonds (distance) P-C4' energy: -143.246 flat angles C4'-P-C4' energy: -137.378 flat angles P-C4'-P energy: -73.718 tors. eta vs tors. theta energy: -76.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3461.093566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3461.093566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3461.093566 (E_RNA) where: Base-Base interactions energy: -2443.048 where: short stacking energy: -1071.170 Base-Backbone interact. energy: -3.057 local terms energy: -1014.989385 where: bonds (distance) C4'-P energy: -192.511 bonds (distance) P-C4' energy: -165.743 flat angles C4'-P-C4' energy: -214.992 flat angles P-C4'-P energy: -147.257 tors. eta vs tors. theta energy: -294.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3298.043435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.043435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.043435 (E_RNA) where: Base-Base interactions energy: -2352.739 where: short stacking energy: -937.530 Base-Backbone interact. energy: -2.789 local terms energy: -942.514637 where: bonds (distance) C4'-P energy: -173.577 bonds (distance) P-C4' energy: -170.934 flat angles C4'-P-C4' energy: -209.237 flat angles P-C4'-P energy: -134.626 tors. eta vs tors. theta energy: -254.141 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: 472 Temperature: 1.000000 Total energy: -3232.985322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.985322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.985322 (E_RNA) where: Base-Base interactions energy: -2257.523 where: short stacking energy: -1015.522 Base-Backbone interact. energy: -3.441 local terms energy: -972.021770 where: bonds (distance) C4'-P energy: -170.594 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -210.573 flat angles P-C4'-P energy: -140.689 tors. eta vs tors. theta energy: -287.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2996.625008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.625008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.625008 (E_RNA) where: Base-Base interactions energy: -2120.973 where: short stacking energy: -865.009 Base-Backbone interact. energy: -3.652 local terms energy: -872.000549 where: bonds (distance) C4'-P energy: -162.143 bonds (distance) P-C4' energy: -176.373 flat angles C4'-P-C4' energy: -197.387 flat angles P-C4'-P energy: -113.861 tors. eta vs tors. theta energy: -222.237 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: 472 Temperature: 1.100000 Total energy: -2945.789631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.789631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.789631 (E_RNA) where: Base-Base interactions energy: -2081.536 where: short stacking energy: -882.518 Base-Backbone interact. energy: 2.540 local terms energy: -866.793414 where: bonds (distance) C4'-P energy: -169.076 bonds (distance) P-C4' energy: -164.011 flat angles C4'-P-C4' energy: -193.056 flat angles P-C4'-P energy: -107.050 tors. eta vs tors. theta energy: -233.600 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: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2842.417131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.417131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.417131 (E_RNA) where: Base-Base interactions energy: -1999.367 where: short stacking energy: -854.846 Base-Backbone interact. energy: 0.444 local terms energy: -843.494701 where: bonds (distance) C4'-P energy: -160.944 bonds (distance) P-C4' energy: -152.265 flat angles C4'-P-C4' energy: -198.174 flat angles P-C4'-P energy: -108.051 tors. eta vs tors. theta energy: -224.060 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: 4 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2729.400509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.400509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.400509 (E_RNA) where: Base-Base interactions energy: -1910.262 where: short stacking energy: -790.961 Base-Backbone interact. energy: 2.207 local terms energy: -821.345295 where: bonds (distance) C4'-P energy: -139.124 bonds (distance) P-C4' energy: -166.867 flat angles C4'-P-C4' energy: -186.388 flat angles P-C4'-P energy: -119.117 tors. eta vs tors. theta energy: -209.849 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: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -2013.806310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.806310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.806310 (E_RNA) where: Base-Base interactions energy: -1342.882 where: short stacking energy: -607.650 Base-Backbone interact. energy: 4.039 local terms energy: -674.963862 where: bonds (distance) C4'-P energy: -128.905 bonds (distance) P-C4' energy: -173.847 flat angles C4'-P-C4' energy: -163.309 flat angles P-C4'-P energy: -90.565 tors. eta vs tors. theta energy: -118.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -2074.666642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2074.666642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2074.666642 (E_RNA) where: Base-Base interactions energy: -1393.291 where: short stacking energy: -626.899 Base-Backbone interact. energy: 0.462 local terms energy: -681.837286 where: bonds (distance) C4'-P energy: -138.244 bonds (distance) P-C4' energy: -139.623 flat angles C4'-P-C4' energy: -172.361 flat angles P-C4'-P energy: -96.736 tors. eta vs tors. theta energy: -134.874 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: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1643.399295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.399295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.399295 (E_RNA) where: Base-Base interactions energy: -1039.030 where: short stacking energy: -464.556 Base-Backbone interact. energy: 2.900 local terms energy: -607.268846 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -137.943 flat angles C4'-P-C4' energy: -136.655 flat angles P-C4'-P energy: -92.844 tors. eta vs tors. theta energy: -75.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3464.518060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3464.518060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3464.518060 (E_RNA) where: Base-Base interactions energy: -2430.357 where: short stacking energy: -1049.492 Base-Backbone interact. energy: -1.473 local terms energy: -1032.687722 where: bonds (distance) C4'-P energy: -189.233 bonds (distance) P-C4' energy: -193.020 flat angles C4'-P-C4' energy: -220.893 flat angles P-C4'-P energy: -147.298 tors. eta vs tors. theta energy: -282.244 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3300.450621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.450621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.450621 (E_RNA) where: Base-Base interactions energy: -2370.003 where: short stacking energy: -944.990 Base-Backbone interact. energy: -2.196 local terms energy: -928.251783 where: bonds (distance) C4'-P energy: -187.157 bonds (distance) P-C4' energy: -170.022 flat angles C4'-P-C4' energy: -196.964 flat angles P-C4'-P energy: -123.988 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: 3, replica: 9 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -3243.750438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.750438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.750438 (E_RNA) where: Base-Base interactions energy: -2252.752 where: short stacking energy: -1002.769 Base-Backbone interact. energy: 0.024 local terms energy: -991.021781 where: bonds (distance) C4'-P energy: -177.763 bonds (distance) P-C4' energy: -181.413 flat angles C4'-P-C4' energy: -185.680 flat angles P-C4'-P energy: -153.528 tors. eta vs tors. theta energy: -292.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -3050.079920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.079920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.079920 (E_RNA) where: Base-Base interactions energy: -2162.355 where: short stacking energy: -881.923 Base-Backbone interact. energy: -3.794 local terms energy: -883.931374 where: bonds (distance) C4'-P energy: -157.293 bonds (distance) P-C4' energy: -178.247 flat angles C4'-P-C4' energy: -193.177 flat angles P-C4'-P energy: -129.789 tors. eta vs tors. theta energy: -225.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2953.396415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.396415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.396415 (E_RNA) where: Base-Base interactions energy: -2059.210 where: short stacking energy: -865.248 Base-Backbone interact. energy: 0.823 local terms energy: -895.009516 where: bonds (distance) C4'-P energy: -171.955 bonds (distance) P-C4' energy: -180.198 flat angles C4'-P-C4' energy: -192.028 flat angles P-C4'-P energy: -114.386 tors. eta vs tors. theta energy: -236.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2824.393707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.393707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.393707 (E_RNA) where: Base-Base interactions energy: -1977.960 where: short stacking energy: -845.798 Base-Backbone interact. energy: 0.728 local terms energy: -847.162457 where: bonds (distance) C4'-P energy: -151.714 bonds (distance) P-C4' energy: -153.001 flat angles C4'-P-C4' energy: -188.897 flat angles P-C4'-P energy: -123.131 tors. eta vs tors. theta energy: -230.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2702.464027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.464027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.464027 (E_RNA) where: Base-Base interactions energy: -1920.997 where: short stacking energy: -773.676 Base-Backbone interact. energy: 3.538 local terms energy: -785.005661 where: bonds (distance) C4'-P energy: -154.881 bonds (distance) P-C4' energy: -162.397 flat angles C4'-P-C4' energy: -158.821 flat angles P-C4'-P energy: -109.634 tors. eta vs tors. theta energy: -199.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -2100.957181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.957181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.957181 (E_RNA) where: Base-Base interactions energy: -1401.317 where: short stacking energy: -599.633 Base-Backbone interact. energy: 0.246 local terms energy: -699.886954 where: bonds (distance) C4'-P energy: -143.883 bonds (distance) P-C4' energy: -147.920 flat angles C4'-P-C4' energy: -177.130 flat angles P-C4'-P energy: -109.181 tors. eta vs tors. theta energy: -121.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -2114.447196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.447196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.447196 (E_RNA) where: Base-Base interactions energy: -1431.405 where: short stacking energy: -638.835 Base-Backbone interact. energy: 3.014 local terms energy: -686.056563 where: bonds (distance) C4'-P energy: -150.304 bonds (distance) P-C4' energy: -154.312 flat angles C4'-P-C4' energy: -175.984 flat angles P-C4'-P energy: -67.415 tors. eta vs tors. theta energy: -138.041 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: 473 Temperature: 1.350000 Total energy: -1613.706864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.706864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.706864 (E_RNA) where: Base-Base interactions energy: -1059.331 where: short stacking energy: -496.126 Base-Backbone interact. energy: 0.302 local terms energy: -554.678432 where: bonds (distance) C4'-P energy: -135.518 bonds (distance) P-C4' energy: -141.482 flat angles C4'-P-C4' energy: -131.984 flat angles P-C4'-P energy: -64.870 tors. eta vs tors. theta energy: -80.824 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: 2 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3450.316009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3450.316009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3450.316009 (E_RNA) where: Base-Base interactions energy: -2441.134 where: short stacking energy: -1048.918 Base-Backbone interact. energy: -5.930 local terms energy: -1003.251958 where: bonds (distance) C4'-P energy: -175.868 bonds (distance) P-C4' energy: -181.680 flat angles C4'-P-C4' energy: -212.390 flat angles P-C4'-P energy: -144.809 tors. eta vs tors. theta energy: -288.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3339.922104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3339.922104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3339.922104 (E_RNA) where: Base-Base interactions energy: -2391.527 where: short stacking energy: -948.187 Base-Backbone interact. energy: -2.470 local terms energy: -945.924968 where: bonds (distance) C4'-P energy: -173.303 bonds (distance) P-C4' energy: -184.430 flat angles C4'-P-C4' energy: -201.431 flat angles P-C4'-P energy: -122.210 tors. eta vs tors. theta energy: -264.551 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: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -3192.634600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.634600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.634600 (E_RNA) where: Base-Base interactions energy: -2213.556 where: short stacking energy: -993.685 Base-Backbone interact. energy: -2.665 local terms energy: -976.412781 where: bonds (distance) C4'-P energy: -188.305 bonds (distance) P-C4' energy: -158.421 flat angles C4'-P-C4' energy: -209.818 flat angles P-C4'-P energy: -135.346 tors. eta vs tors. theta energy: -284.523 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: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -3063.759266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.759266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.759266 (E_RNA) where: Base-Base interactions energy: -2138.127 where: short stacking energy: -880.944 Base-Backbone interact. energy: -8.571 local terms energy: -917.061662 where: bonds (distance) C4'-P energy: -170.016 bonds (distance) P-C4' energy: -166.483 flat angles C4'-P-C4' energy: -205.662 flat angles P-C4'-P energy: -151.160 tors. eta vs tors. theta energy: -223.741 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: 474 Temperature: 1.100000 Total energy: -2912.659630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2912.659630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2912.659630 (E_RNA) where: Base-Base interactions energy: -2063.127 where: short stacking energy: -867.185 Base-Backbone interact. energy: -1.352 local terms energy: -848.181187 where: bonds (distance) C4'-P energy: -131.299 bonds (distance) P-C4' energy: -171.710 flat angles C4'-P-C4' energy: -193.272 flat angles P-C4'-P energy: -137.757 tors. eta vs tors. theta energy: -214.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2833.014873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.014873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.014873 (E_RNA) where: Base-Base interactions energy: -1971.318 where: short stacking energy: -814.606 Base-Backbone interact. energy: -3.889 local terms energy: -857.808539 where: bonds (distance) C4'-P energy: -170.487 bonds (distance) P-C4' energy: -173.131 flat angles C4'-P-C4' energy: -185.228 flat angles P-C4'-P energy: -100.125 tors. eta vs tors. theta energy: -228.839 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: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2751.577246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.577246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.577246 (E_RNA) where: Base-Base interactions energy: -1948.074 where: short stacking energy: -828.651 Base-Backbone interact. energy: 7.590 local terms energy: -811.093417 where: bonds (distance) C4'-P energy: -151.203 bonds (distance) P-C4' energy: -170.969 flat angles C4'-P-C4' energy: -179.533 flat angles P-C4'-P energy: -108.759 tors. eta vs tors. theta energy: -200.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -2061.408333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.408333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.408333 (E_RNA) where: Base-Base interactions energy: -1393.028 where: short stacking energy: -610.167 Base-Backbone interact. energy: -1.598 local terms energy: -666.782116 where: bonds (distance) C4'-P energy: -157.546 bonds (distance) P-C4' energy: -131.027 flat angles C4'-P-C4' energy: -162.939 flat angles P-C4'-P energy: -89.302 tors. eta vs tors. theta energy: -125.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -2176.381142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.381142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.381142 (E_RNA) where: Base-Base interactions energy: -1489.314 where: short stacking energy: -650.793 Base-Backbone interact. energy: -2.042 local terms energy: -685.025196 where: bonds (distance) C4'-P energy: -149.890 bonds (distance) P-C4' energy: -130.327 flat angles C4'-P-C4' energy: -160.722 flat angles P-C4'-P energy: -92.915 tors. eta vs tors. theta energy: -151.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1694.870080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.870080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.870080 (E_RNA) where: Base-Base interactions energy: -1121.829 where: short stacking energy: -479.097 Base-Backbone interact. energy: 5.083 local terms energy: -578.124050 where: bonds (distance) C4'-P energy: -122.641 bonds (distance) P-C4' energy: -160.007 flat angles C4'-P-C4' energy: -143.700 flat angles P-C4'-P energy: -67.111 tors. eta vs tors. theta energy: -84.664 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: 2 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3454.946688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.946688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.946688 (E_RNA) where: Base-Base interactions energy: -2439.778 where: short stacking energy: -1044.815 Base-Backbone interact. energy: -3.608 local terms energy: -1011.559762 where: bonds (distance) C4'-P energy: -183.244 bonds (distance) P-C4' energy: -177.842 flat angles C4'-P-C4' energy: -212.351 flat angles P-C4'-P energy: -142.431 tors. eta vs tors. theta energy: -295.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3284.036112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.036112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.036112 (E_RNA) where: Base-Base interactions energy: -2331.204 where: short stacking energy: -934.375 Base-Backbone interact. energy: -4.798 local terms energy: -948.034264 where: bonds (distance) C4'-P energy: -182.602 bonds (distance) P-C4' energy: -181.882 flat angles C4'-P-C4' energy: -202.740 flat angles P-C4'-P energy: -132.521 tors. eta vs tors. theta energy: -248.289 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: 9 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -3219.123514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.123514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.123514 (E_RNA) where: Base-Base interactions energy: -2236.372 where: short stacking energy: -1002.910 Base-Backbone interact. energy: -4.433 local terms energy: -978.318493 where: bonds (distance) C4'-P energy: -169.797 bonds (distance) P-C4' energy: -181.938 flat angles C4'-P-C4' energy: -203.988 flat angles P-C4'-P energy: -145.839 tors. eta vs tors. theta energy: -276.756 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: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -3051.624783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.624783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.624783 (E_RNA) where: Base-Base interactions energy: -2123.971 where: short stacking energy: -890.981 Base-Backbone interact. energy: -4.861 local terms energy: -922.792316 where: bonds (distance) C4'-P energy: -166.276 bonds (distance) P-C4' energy: -158.431 flat angles C4'-P-C4' energy: -212.306 flat angles P-C4'-P energy: -137.659 tors. eta vs tors. theta energy: -248.120 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: 475 Temperature: 1.100000 Total energy: -2938.585985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2938.585985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2938.585985 (E_RNA) where: Base-Base interactions energy: -2093.177 where: short stacking energy: -873.035 Base-Backbone interact. energy: -3.557 local terms energy: -841.851902 where: bonds (distance) C4'-P energy: -133.256 bonds (distance) P-C4' energy: -168.085 flat angles C4'-P-C4' energy: -186.072 flat angles P-C4'-P energy: -122.884 tors. eta vs tors. theta energy: -231.555 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: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2843.519031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.519031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.519031 (E_RNA) where: Base-Base interactions energy: -1995.870 where: short stacking energy: -877.134 Base-Backbone interact. energy: -2.024 local terms energy: -845.624498 where: bonds (distance) C4'-P energy: -160.725 bonds (distance) P-C4' energy: -149.243 flat angles C4'-P-C4' energy: -189.093 flat angles P-C4'-P energy: -129.539 tors. eta vs tors. theta energy: -217.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2672.266491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.266491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.266491 (E_RNA) where: Base-Base interactions energy: -1866.779 where: short stacking energy: -777.812 Base-Backbone interact. energy: -0.784 local terms energy: -804.703478 where: bonds (distance) C4'-P energy: -148.065 bonds (distance) P-C4' energy: -154.521 flat angles C4'-P-C4' energy: -183.025 flat angles P-C4'-P energy: -121.026 tors. eta vs tors. theta energy: -198.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -2179.613566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.613566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.613566 (E_RNA) where: Base-Base interactions energy: -1447.701 where: short stacking energy: -678.430 Base-Backbone interact. energy: 1.527 local terms energy: -733.439616 where: bonds (distance) C4'-P energy: -130.662 bonds (distance) P-C4' energy: -165.986 flat angles C4'-P-C4' energy: -180.219 flat angles P-C4'-P energy: -94.532 tors. eta vs tors. theta energy: -162.041 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -2176.305679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.305679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.305679 (E_RNA) where: Base-Base interactions energy: -1469.183 where: short stacking energy: -599.165 Base-Backbone interact. energy: 1.705 local terms energy: -708.827029 where: bonds (distance) C4'-P energy: -141.755 bonds (distance) P-C4' energy: -152.830 flat angles C4'-P-C4' energy: -168.389 flat angles P-C4'-P energy: -109.473 tors. eta vs tors. theta energy: -136.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1696.677114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.677114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.677114 (E_RNA) where: Base-Base interactions energy: -1105.597 where: short stacking energy: -500.931 Base-Backbone interact. energy: 7.132 local terms energy: -598.212310 where: bonds (distance) C4'-P energy: -122.871 bonds (distance) P-C4' energy: -150.241 flat angles C4'-P-C4' energy: -138.554 flat angles P-C4'-P energy: -97.204 tors. eta vs tors. theta energy: -89.343 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: 2 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3446.966017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3446.966017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3446.966017 (E_RNA) where: Base-Base interactions energy: -2413.823 where: short stacking energy: -1025.301 Base-Backbone interact. energy: -2.393 local terms energy: -1030.750118 where: bonds (distance) C4'-P energy: -194.383 bonds (distance) P-C4' energy: -169.049 flat angles C4'-P-C4' energy: -216.251 flat angles P-C4'-P energy: -144.923 tors. eta vs tors. theta energy: -306.144 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3285.154891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.154891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.154891 (E_RNA) where: Base-Base interactions energy: -2362.921 where: short stacking energy: -929.647 Base-Backbone interact. energy: -6.381 local terms energy: -915.852659 where: bonds (distance) C4'-P energy: -184.935 bonds (distance) P-C4' energy: -162.436 flat angles C4'-P-C4' energy: -188.028 flat angles P-C4'-P energy: -133.997 tors. eta vs tors. theta energy: -246.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -3211.266972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.266972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.266972 (E_RNA) where: Base-Base interactions energy: -2224.570 where: short stacking energy: -1009.680 Base-Backbone interact. energy: -0.158 local terms energy: -986.539539 where: bonds (distance) C4'-P energy: -165.670 bonds (distance) P-C4' energy: -184.551 flat angles C4'-P-C4' energy: -207.884 flat angles P-C4'-P energy: -152.754 tors. eta vs tors. theta energy: -275.679 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: 476 Temperature: 1.050000 Total energy: -3039.810448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.810448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.810448 (E_RNA) where: Base-Base interactions energy: -2170.934 where: short stacking energy: -894.346 Base-Backbone interact. energy: -2.640 local terms energy: -866.236609 where: bonds (distance) C4'-P energy: -170.985 bonds (distance) P-C4' energy: -171.296 flat angles C4'-P-C4' energy: -177.009 flat angles P-C4'-P energy: -107.142 tors. eta vs tors. theta energy: -239.804 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: 5, replica: 7 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2908.036282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.036282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.036282 (E_RNA) where: Base-Base interactions energy: -2052.499 where: short stacking energy: -837.605 Base-Backbone interact. energy: -0.292 local terms energy: -855.245687 where: bonds (distance) C4'-P energy: -155.506 bonds (distance) P-C4' energy: -160.348 flat angles C4'-P-C4' energy: -187.669 flat angles P-C4'-P energy: -141.145 tors. eta vs tors. theta energy: -210.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2809.266531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.266531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.266531 (E_RNA) where: Base-Base interactions energy: -1943.155 where: short stacking energy: -816.460 Base-Backbone interact. energy: -3.472 local terms energy: -862.638930 where: bonds (distance) C4'-P energy: -165.012 bonds (distance) P-C4' energy: -173.714 flat angles C4'-P-C4' energy: -177.541 flat angles P-C4'-P energy: -124.580 tors. eta vs tors. theta energy: -221.792 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: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -2674.876918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.876918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.876918 (E_RNA) where: Base-Base interactions energy: -1923.633 where: short stacking energy: -824.327 Base-Backbone interact. energy: -2.861 local terms energy: -748.382520 where: bonds (distance) C4'-P energy: -133.064 bonds (distance) P-C4' energy: -126.407 flat angles C4'-P-C4' energy: -185.958 flat angles P-C4'-P energy: -112.920 tors. eta vs tors. theta energy: -190.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -2103.484701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.484701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.484701 (E_RNA) where: Base-Base interactions energy: -1422.776 where: short stacking energy: -622.955 Base-Backbone interact. energy: 0.568 local terms energy: -681.276885 where: bonds (distance) C4'-P energy: -154.861 bonds (distance) P-C4' energy: -143.600 flat angles C4'-P-C4' energy: -169.240 flat angles P-C4'-P energy: -80.572 tors. eta vs tors. theta energy: -133.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -2062.700163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.700163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.700163 (E_RNA) where: Base-Base interactions energy: -1446.043 where: short stacking energy: -610.854 Base-Backbone interact. energy: -2.240 local terms energy: -614.417514 where: bonds (distance) C4'-P energy: -137.148 bonds (distance) P-C4' energy: -141.178 flat angles C4'-P-C4' energy: -131.567 flat angles P-C4'-P energy: -82.495 tors. eta vs tors. theta energy: -122.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1684.660727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.660727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.660727 (E_RNA) where: Base-Base interactions energy: -1110.799 where: short stacking energy: -494.451 Base-Backbone interact. energy: 9.950 local terms energy: -583.811688 where: bonds (distance) C4'-P energy: -131.435 bonds (distance) P-C4' energy: -157.466 flat angles C4'-P-C4' energy: -140.664 flat angles P-C4'-P energy: -81.126 tors. eta vs tors. theta energy: -73.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3425.850690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3425.850690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3425.850690 (E_RNA) where: Base-Base interactions energy: -2393.176 where: short stacking energy: -1014.834 Base-Backbone interact. energy: -3.730 local terms energy: -1028.944786 where: bonds (distance) C4'-P energy: -196.596 bonds (distance) P-C4' energy: -188.580 flat angles C4'-P-C4' energy: -219.201 flat angles P-C4'-P energy: -132.296 tors. eta vs tors. theta energy: -292.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3273.889657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.889657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.889657 (E_RNA) where: Base-Base interactions energy: -2342.362 where: short stacking energy: -951.400 Base-Backbone interact. energy: -5.887 local terms energy: -925.640562 where: bonds (distance) C4'-P energy: -178.610 bonds (distance) P-C4' energy: -170.670 flat angles C4'-P-C4' energy: -192.229 flat angles P-C4'-P energy: -128.571 tors. eta vs tors. theta energy: -255.561 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: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -3211.868172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.868172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.868172 (E_RNA) where: Base-Base interactions energy: -2209.513 where: short stacking energy: -1010.359 Base-Backbone interact. energy: -3.482 local terms energy: -998.872961 where: bonds (distance) C4'-P energy: -171.254 bonds (distance) P-C4' energy: -177.736 flat angles C4'-P-C4' energy: -214.071 flat angles P-C4'-P energy: -149.195 tors. eta vs tors. theta energy: -286.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -3029.129443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.129443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.129443 (E_RNA) where: Base-Base interactions energy: -2115.235 where: short stacking energy: -882.428 Base-Backbone interact. energy: -3.704 local terms energy: -910.190228 where: bonds (distance) C4'-P energy: -165.165 bonds (distance) P-C4' energy: -155.592 flat angles C4'-P-C4' energy: -214.082 flat angles P-C4'-P energy: -133.998 tors. eta vs tors. theta energy: -241.353 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: 7 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2925.276509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.276509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.276509 (E_RNA) where: Base-Base interactions energy: -2096.889 where: short stacking energy: -896.923 Base-Backbone interact. energy: -6.572 local terms energy: -821.815226 where: bonds (distance) C4'-P energy: -135.471 bonds (distance) P-C4' energy: -149.568 flat angles C4'-P-C4' energy: -190.202 flat angles P-C4'-P energy: -120.714 tors. eta vs tors. theta energy: -225.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2798.326497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.326497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.326497 (E_RNA) where: Base-Base interactions energy: -1954.447 where: short stacking energy: -828.781 Base-Backbone interact. energy: -1.956 local terms energy: -841.922922 where: bonds (distance) C4'-P energy: -134.743 bonds (distance) P-C4' energy: -182.722 flat angles C4'-P-C4' energy: -174.733 flat angles P-C4'-P energy: -119.053 tors. eta vs tors. theta energy: -230.672 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: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -2658.665458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.665458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.665458 (E_RNA) where: Base-Base interactions energy: -1890.379 where: short stacking energy: -795.056 Base-Backbone interact. energy: -1.426 local terms energy: -766.860456 where: bonds (distance) C4'-P energy: -118.186 bonds (distance) P-C4' energy: -163.490 flat angles C4'-P-C4' energy: -176.157 flat angles P-C4'-P energy: -117.810 tors. eta vs tors. theta energy: -191.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -2171.357692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.357692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.357692 (E_RNA) where: Base-Base interactions energy: -1496.930 where: short stacking energy: -651.708 Base-Backbone interact. energy: -1.535 local terms energy: -672.892960 where: bonds (distance) C4'-P energy: -154.884 bonds (distance) P-C4' energy: -152.462 flat angles C4'-P-C4' energy: -155.584 flat angles P-C4'-P energy: -88.599 tors. eta vs tors. theta energy: -121.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -2091.339045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.339045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.339045 (E_RNA) where: Base-Base interactions energy: -1423.798 where: short stacking energy: -614.519 Base-Backbone interact. energy: 0.105 local terms energy: -667.645418 where: bonds (distance) C4'-P energy: -151.417 bonds (distance) P-C4' energy: -147.859 flat angles C4'-P-C4' energy: -147.547 flat angles P-C4'-P energy: -75.622 tors. eta vs tors. theta energy: -145.200 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: 477 Temperature: 1.350000 Total energy: -1663.571443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.571443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.571443 (E_RNA) where: Base-Base interactions energy: -1088.854 where: short stacking energy: -508.464 Base-Backbone interact. energy: -1.990 local terms energy: -572.727487 where: bonds (distance) C4'-P energy: -130.725 bonds (distance) P-C4' energy: -141.792 flat angles C4'-P-C4' energy: -152.332 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -70.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3436.552687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3436.552687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3436.552687 (E_RNA) where: Base-Base interactions energy: -2442.965 where: short stacking energy: -1039.305 Base-Backbone interact. energy: -5.352 local terms energy: -988.235504 where: bonds (distance) C4'-P energy: -177.524 bonds (distance) P-C4' energy: -176.784 flat angles C4'-P-C4' energy: -202.342 flat angles P-C4'-P energy: -146.428 tors. eta vs tors. theta energy: -285.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3287.647270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.647270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.647270 (E_RNA) where: Base-Base interactions energy: -2338.169 where: short stacking energy: -954.076 Base-Backbone interact. energy: -3.114 local terms energy: -946.364235 where: bonds (distance) C4'-P energy: -164.886 bonds (distance) P-C4' energy: -184.637 flat angles C4'-P-C4' energy: -196.598 flat angles P-C4'-P energy: -146.931 tors. eta vs tors. theta energy: -253.311 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: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -3232.045058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.045058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.045058 (E_RNA) where: Base-Base interactions energy: -2240.738 where: short stacking energy: -1018.234 Base-Backbone interact. energy: -4.344 local terms energy: -986.963387 where: bonds (distance) C4'-P energy: -167.442 bonds (distance) P-C4' energy: -175.847 flat angles C4'-P-C4' energy: -206.202 flat angles P-C4'-P energy: -143.448 tors. eta vs tors. theta energy: -294.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -3050.188814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.188814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.188814 (E_RNA) where: Base-Base interactions energy: -2146.165 where: short stacking energy: -883.899 Base-Backbone interact. energy: -4.062 local terms energy: -899.962102 where: bonds (distance) C4'-P energy: -163.961 bonds (distance) P-C4' energy: -171.576 flat angles C4'-P-C4' energy: -188.602 flat angles P-C4'-P energy: -138.906 tors. eta vs tors. theta energy: -236.918 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: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2962.891174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.891174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.891174 (E_RNA) where: Base-Base interactions energy: -2127.118 where: short stacking energy: -885.069 Base-Backbone interact. energy: 1.368 local terms energy: -837.141657 where: bonds (distance) C4'-P energy: -146.040 bonds (distance) P-C4' energy: -158.294 flat angles C4'-P-C4' energy: -181.016 flat angles P-C4'-P energy: -135.150 tors. eta vs tors. theta energy: -216.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2786.891505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.891505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.891505 (E_RNA) where: Base-Base interactions energy: -1937.541 where: short stacking energy: -820.907 Base-Backbone interact. energy: -2.296 local terms energy: -847.054219 where: bonds (distance) C4'-P energy: -143.138 bonds (distance) P-C4' energy: -165.305 flat angles C4'-P-C4' energy: -194.748 flat angles P-C4'-P energy: -127.960 tors. eta vs tors. theta energy: -215.903 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: 7, replica: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2716.265019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.265019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.265019 (E_RNA) where: Base-Base interactions energy: -1923.119 where: short stacking energy: -823.995 Base-Backbone interact. energy: -0.522 local terms energy: -792.624886 where: bonds (distance) C4'-P energy: -153.971 bonds (distance) P-C4' energy: -149.203 flat angles C4'-P-C4' energy: -172.217 flat angles P-C4'-P energy: -111.863 tors. eta vs tors. theta energy: -205.371 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: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -2172.922788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.922788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.922788 (E_RNA) where: Base-Base interactions energy: -1493.342 where: short stacking energy: -646.573 Base-Backbone interact. energy: 0.274 local terms energy: -679.855166 where: bonds (distance) C4'-P energy: -122.188 bonds (distance) P-C4' energy: -159.493 flat angles C4'-P-C4' energy: -160.751 flat angles P-C4'-P energy: -96.638 tors. eta vs tors. theta energy: -140.784 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -2069.037728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.037728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.037728 (E_RNA) where: Base-Base interactions energy: -1407.640 where: short stacking energy: -606.961 Base-Backbone interact. energy: -0.394 local terms energy: -661.003509 where: bonds (distance) C4'-P energy: -139.483 bonds (distance) P-C4' energy: -144.430 flat angles C4'-P-C4' energy: -163.892 flat angles P-C4'-P energy: -87.620 tors. eta vs tors. theta energy: -125.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -1623.703977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.703977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.703977 (E_RNA) where: Base-Base interactions energy: -1017.893 where: short stacking energy: -480.465 Base-Backbone interact. energy: -0.371 local terms energy: -605.439729 where: bonds (distance) C4'-P energy: -136.162 bonds (distance) P-C4' energy: -164.347 flat angles C4'-P-C4' energy: -145.724 flat angles P-C4'-P energy: -94.980 tors. eta vs tors. theta energy: -64.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3453.921271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3453.921271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3453.921271 (E_RNA) where: Base-Base interactions energy: -2441.105 where: short stacking energy: -1036.821 Base-Backbone interact. energy: -5.484 local terms energy: -1007.331689 where: bonds (distance) C4'-P energy: -174.451 bonds (distance) P-C4' energy: -187.739 flat angles C4'-P-C4' energy: -205.691 flat angles P-C4'-P energy: -137.541 tors. eta vs tors. theta energy: -301.910 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: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3291.647643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.647643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.647643 (E_RNA) where: Base-Base interactions energy: -2291.576 where: short stacking energy: -1023.368 Base-Backbone interact. energy: 5.272 local terms energy: -1005.344169 where: bonds (distance) C4'-P energy: -172.514 bonds (distance) P-C4' energy: -175.712 flat angles C4'-P-C4' energy: -217.679 flat angles P-C4'-P energy: -153.731 tors. eta vs tors. theta energy: -285.708 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: 6 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -3192.137485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.137485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.137485 (E_RNA) where: Base-Base interactions energy: -2272.480 where: short stacking energy: -940.630 Base-Backbone interact. energy: -3.838 local terms energy: -915.819278 where: bonds (distance) C4'-P energy: -143.524 bonds (distance) P-C4' energy: -177.891 flat angles C4'-P-C4' energy: -198.522 flat angles P-C4'-P energy: -136.729 tors. eta vs tors. theta energy: -259.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -3053.342299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.342299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.342299 (E_RNA) where: Base-Base interactions energy: -2174.447 where: short stacking energy: -913.025 Base-Backbone interact. energy: -6.207 local terms energy: -872.688438 where: bonds (distance) C4'-P energy: -170.513 bonds (distance) P-C4' energy: -170.026 flat angles C4'-P-C4' energy: -181.197 flat angles P-C4'-P energy: -114.062 tors. eta vs tors. theta energy: -236.891 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: 479 Temperature: 1.100000 Total energy: -2965.055580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.055580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.055580 (E_RNA) where: Base-Base interactions energy: -2100.297 where: short stacking energy: -891.305 Base-Backbone interact. energy: 3.214 local terms energy: -867.972778 where: bonds (distance) C4'-P energy: -172.820 bonds (distance) P-C4' energy: -154.717 flat angles C4'-P-C4' energy: -187.478 flat angles P-C4'-P energy: -126.216 tors. eta vs tors. theta energy: -226.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2751.386899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.386899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.386899 (E_RNA) where: Base-Base interactions energy: -1924.822 where: short stacking energy: -830.786 Base-Backbone interact. energy: -3.820 local terms energy: -822.744097 where: bonds (distance) C4'-P energy: -160.405 bonds (distance) P-C4' energy: -152.046 flat angles C4'-P-C4' energy: -184.966 flat angles P-C4'-P energy: -104.956 tors. eta vs tors. theta energy: -220.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2715.043973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.043973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.043973 (E_RNA) where: Base-Base interactions energy: -1975.812 where: short stacking energy: -822.936 Base-Backbone interact. energy: 0.283 local terms energy: -739.514480 where: bonds (distance) C4'-P energy: -145.917 bonds (distance) P-C4' energy: -150.597 flat angles C4'-P-C4' energy: -164.888 flat angles P-C4'-P energy: -71.266 tors. eta vs tors. theta energy: -206.846 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: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -2162.863768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2162.863768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2162.863768 (E_RNA) where: Base-Base interactions energy: -1449.449 where: short stacking energy: -638.308 Base-Backbone interact. energy: 0.945 local terms energy: -714.359764 where: bonds (distance) C4'-P energy: -126.717 bonds (distance) P-C4' energy: -171.417 flat angles C4'-P-C4' energy: -165.538 flat angles P-C4'-P energy: -95.352 tors. eta vs tors. theta energy: -155.336 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: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -2021.868451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.868451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.868451 (E_RNA) where: Base-Base interactions energy: -1369.139 where: short stacking energy: -595.829 Base-Backbone interact. energy: 1.719 local terms energy: -654.448816 where: bonds (distance) C4'-P energy: -159.713 bonds (distance) P-C4' energy: -127.724 flat angles C4'-P-C4' energy: -161.759 flat angles P-C4'-P energy: -89.512 tors. eta vs tors. theta energy: -115.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1673.890939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.890939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.890939 (E_RNA) where: Base-Base interactions energy: -1060.871 where: short stacking energy: -473.208 Base-Backbone interact. energy: 2.069 local terms energy: -615.088753 where: bonds (distance) C4'-P energy: -138.666 bonds (distance) P-C4' energy: -160.728 flat angles C4'-P-C4' energy: -164.996 flat angles P-C4'-P energy: -71.795 tors. eta vs tors. theta energy: -78.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3444.530716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3444.530716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3444.530716 (E_RNA) where: Base-Base interactions energy: -2433.023 where: short stacking energy: -1034.870 Base-Backbone interact. energy: -4.313 local terms energy: -1007.194742 where: bonds (distance) C4'-P energy: -193.361 bonds (distance) P-C4' energy: -176.558 flat angles C4'-P-C4' energy: -205.612 flat angles P-C4'-P energy: -137.565 tors. eta vs tors. theta energy: -294.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3284.142439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3284.142439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3284.142439 (E_RNA) where: Base-Base interactions energy: -2276.977 where: short stacking energy: -1004.336 Base-Backbone interact. energy: -3.482 local terms energy: -1003.682806 where: bonds (distance) C4'-P energy: -175.045 bonds (distance) P-C4' energy: -182.107 flat angles C4'-P-C4' energy: -215.111 flat angles P-C4'-P energy: -148.366 tors. eta vs tors. theta energy: -283.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -3182.779047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3182.779047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3182.779047 (E_RNA) where: Base-Base interactions energy: -2283.461 where: short stacking energy: -920.326 Base-Backbone interact. energy: -5.492 local terms energy: -893.826079 where: bonds (distance) C4'-P energy: -162.567 bonds (distance) P-C4' energy: -164.030 flat angles C4'-P-C4' energy: -202.656 flat angles P-C4'-P energy: -118.883 tors. eta vs tors. theta energy: -245.690 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: 5 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -3019.831859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.831859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.831859 (E_RNA) where: Base-Base interactions energy: -2131.236 where: short stacking energy: -882.195 Base-Backbone interact. energy: 2.794 local terms energy: -891.390193 where: bonds (distance) C4'-P energy: -156.573 bonds (distance) P-C4' energy: -172.365 flat angles C4'-P-C4' energy: -199.424 flat angles P-C4'-P energy: -125.317 tors. eta vs tors. theta energy: -237.711 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: 7 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2984.417054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.417054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.417054 (E_RNA) where: Base-Base interactions energy: -2130.065 where: short stacking energy: -883.693 Base-Backbone interact. energy: -4.892 local terms energy: -849.459473 where: bonds (distance) C4'-P energy: -172.927 bonds (distance) P-C4' energy: -147.380 flat angles C4'-P-C4' energy: -189.614 flat angles P-C4'-P energy: -115.162 tors. eta vs tors. theta energy: -224.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2709.799018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.799018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.799018 (E_RNA) where: Base-Base interactions energy: -1893.501 where: short stacking energy: -801.499 Base-Backbone interact. energy: -5.587 local terms energy: -810.711556 where: bonds (distance) C4'-P energy: -149.831 bonds (distance) P-C4' energy: -154.752 flat angles C4'-P-C4' energy: -180.862 flat angles P-C4'-P energy: -121.024 tors. eta vs tors. theta energy: -204.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2686.127946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.127946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.127946 (E_RNA) where: Base-Base interactions energy: -1892.298 where: short stacking energy: -796.705 Base-Backbone interact. energy: -0.094 local terms energy: -793.736130 where: bonds (distance) C4'-P energy: -151.516 bonds (distance) P-C4' energy: -157.047 flat angles C4'-P-C4' energy: -170.177 flat angles P-C4'-P energy: -115.913 tors. eta vs tors. theta energy: -199.084 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: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -2156.124061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.124061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.124061 (E_RNA) where: Base-Base interactions energy: -1447.995 where: short stacking energy: -653.344 Base-Backbone interact. energy: -2.427 local terms energy: -705.701856 where: bonds (distance) C4'-P energy: -120.987 bonds (distance) P-C4' energy: -170.127 flat angles C4'-P-C4' energy: -160.812 flat angles P-C4'-P energy: -96.848 tors. eta vs tors. theta energy: -156.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -2028.059016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.059016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.059016 (E_RNA) where: Base-Base interactions energy: -1378.647 where: short stacking energy: -584.433 Base-Backbone interact. energy: 3.361 local terms energy: -652.772965 where: bonds (distance) C4'-P energy: -142.053 bonds (distance) P-C4' energy: -137.751 flat angles C4'-P-C4' energy: -159.317 flat angles P-C4'-P energy: -103.872 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: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1649.290621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.290621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.290621 (E_RNA) where: Base-Base interactions energy: -1076.864 where: short stacking energy: -481.709 Base-Backbone interact. energy: -1.421 local terms energy: -571.005673 where: bonds (distance) C4'-P energy: -143.440 bonds (distance) P-C4' energy: -136.548 flat angles C4'-P-C4' energy: -133.543 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -79.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3422.586834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3422.586834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3422.586834 (E_RNA) where: Base-Base interactions energy: -2427.304 where: short stacking energy: -1022.127 Base-Backbone interact. energy: -3.878 local terms energy: -991.405456 where: bonds (distance) C4'-P energy: -170.961 bonds (distance) P-C4' energy: -188.689 flat angles C4'-P-C4' energy: -215.076 flat angles P-C4'-P energy: -132.680 tors. eta vs tors. theta energy: -284.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3301.283389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.283389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.283389 (E_RNA) where: Base-Base interactions energy: -2296.082 where: short stacking energy: -1036.343 Base-Backbone interact. energy: -5.836 local terms energy: -999.365715 where: bonds (distance) C4'-P energy: -174.364 bonds (distance) P-C4' energy: -194.491 flat angles C4'-P-C4' energy: -213.623 flat angles P-C4'-P energy: -123.582 tors. eta vs tors. theta energy: -293.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -3200.362879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.362879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.362879 (E_RNA) where: Base-Base interactions energy: -2255.032 where: short stacking energy: -919.722 Base-Backbone interact. energy: -4.643 local terms energy: -940.687660 where: bonds (distance) C4'-P energy: -179.651 bonds (distance) P-C4' energy: -181.898 flat angles C4'-P-C4' energy: -197.337 flat angles P-C4'-P energy: -127.233 tors. eta vs tors. theta energy: -254.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -3040.788751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.788751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.788751 (E_RNA) where: Base-Base interactions energy: -2167.964 where: short stacking energy: -886.423 Base-Backbone interact. energy: -2.561 local terms energy: -870.263798 where: bonds (distance) C4'-P energy: -172.216 bonds (distance) P-C4' energy: -163.707 flat angles C4'-P-C4' energy: -181.067 flat angles P-C4'-P energy: -120.401 tors. eta vs tors. theta energy: -232.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2986.743364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.743364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.743364 (E_RNA) where: Base-Base interactions energy: -2139.752 where: short stacking energy: -852.040 Base-Backbone interact. energy: 1.840 local terms energy: -848.830679 where: bonds (distance) C4'-P energy: -157.877 bonds (distance) P-C4' energy: -152.632 flat angles C4'-P-C4' energy: -185.489 flat angles P-C4'-P energy: -138.825 tors. eta vs tors. theta energy: -214.008 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: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2741.858910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.858910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.858910 (E_RNA) where: Base-Base interactions energy: -1911.387 where: short stacking energy: -814.157 Base-Backbone interact. energy: 0.593 local terms energy: -831.064854 where: bonds (distance) C4'-P energy: -159.691 bonds (distance) P-C4' energy: -155.222 flat angles C4'-P-C4' energy: -184.348 flat angles P-C4'-P energy: -117.835 tors. eta vs tors. theta energy: -213.969 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: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -2640.559696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.559696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.559696 (E_RNA) where: Base-Base interactions energy: -1847.138 where: short stacking energy: -765.471 Base-Backbone interact. energy: -1.360 local terms energy: -792.061216 where: bonds (distance) C4'-P energy: -155.874 bonds (distance) P-C4' energy: -125.078 flat angles C4'-P-C4' energy: -193.095 flat angles P-C4'-P energy: -109.289 tors. eta vs tors. theta energy: -208.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -2150.653273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.653273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.653273 (E_RNA) where: Base-Base interactions energy: -1423.527 where: short stacking energy: -659.441 Base-Backbone interact. energy: -0.878 local terms energy: -726.248847 where: bonds (distance) C4'-P energy: -138.048 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -176.353 flat angles P-C4'-P energy: -101.296 tors. eta vs tors. theta energy: -154.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -2065.889887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.889887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.889887 (E_RNA) where: Base-Base interactions energy: -1375.769 where: short stacking energy: -612.929 Base-Backbone interact. energy: 3.699 local terms energy: -693.819782 where: bonds (distance) C4'-P energy: -155.455 bonds (distance) P-C4' energy: -165.104 flat angles C4'-P-C4' energy: -165.862 flat angles P-C4'-P energy: -88.815 tors. eta vs tors. theta energy: -118.582 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1616.599541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.599541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.599541 (E_RNA) where: Base-Base interactions energy: -1042.663 where: short stacking energy: -473.966 Base-Backbone interact. energy: 0.225 local terms energy: -574.161019 where: bonds (distance) C4'-P energy: -126.209 bonds (distance) P-C4' energy: -160.293 flat angles C4'-P-C4' energy: -124.482 flat angles P-C4'-P energy: -98.820 tors. eta vs tors. theta energy: -64.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3431.403170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3431.403170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3431.403170 (E_RNA) where: Base-Base interactions energy: -2409.827 where: short stacking energy: -1042.176 Base-Backbone interact. energy: -0.774 local terms energy: -1020.801523 where: bonds (distance) C4'-P energy: -175.654 bonds (distance) P-C4' energy: -173.934 flat angles C4'-P-C4' energy: -227.388 flat angles P-C4'-P energy: -144.508 tors. eta vs tors. theta energy: -299.317 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: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3278.230688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.230688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.230688 (E_RNA) where: Base-Base interactions energy: -2267.955 where: short stacking energy: -1008.052 Base-Backbone interact. energy: -5.908 local terms energy: -1004.367175 where: bonds (distance) C4'-P energy: -169.108 bonds (distance) P-C4' energy: -191.853 flat angles C4'-P-C4' energy: -215.594 flat angles P-C4'-P energy: -143.053 tors. eta vs tors. theta energy: -284.759 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: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -3205.108636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.108636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.108636 (E_RNA) where: Base-Base interactions energy: -2260.136 where: short stacking energy: -896.179 Base-Backbone interact. energy: -0.488 local terms energy: -944.484661 where: bonds (distance) C4'-P energy: -185.227 bonds (distance) P-C4' energy: -176.843 flat angles C4'-P-C4' energy: -195.596 flat angles P-C4'-P energy: -135.939 tors. eta vs tors. theta energy: -250.880 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: 482 Temperature: 1.050000 Total energy: -3076.166959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.166959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.166959 (E_RNA) where: Base-Base interactions energy: -2200.067 where: short stacking energy: -897.712 Base-Backbone interact. energy: -6.231 local terms energy: -869.868680 where: bonds (distance) C4'-P energy: -158.355 bonds (distance) P-C4' energy: -175.521 flat angles C4'-P-C4' energy: -191.135 flat angles P-C4'-P energy: -123.947 tors. eta vs tors. theta energy: -220.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2991.483248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.483248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.483248 (E_RNA) where: Base-Base interactions energy: -2121.335 where: short stacking energy: -886.783 Base-Backbone interact. energy: 0.034 local terms energy: -870.182693 where: bonds (distance) C4'-P energy: -155.053 bonds (distance) P-C4' energy: -157.912 flat angles C4'-P-C4' energy: -193.171 flat angles P-C4'-P energy: -129.657 tors. eta vs tors. theta energy: -234.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2675.553655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.553655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.553655 (E_RNA) where: Base-Base interactions energy: -1891.142 where: short stacking energy: -810.690 Base-Backbone interact. energy: -2.482 local terms energy: -781.929739 where: bonds (distance) C4'-P energy: -152.239 bonds (distance) P-C4' energy: -153.733 flat angles C4'-P-C4' energy: -180.915 flat angles P-C4'-P energy: -98.556 tors. eta vs tors. theta energy: -196.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2655.168252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.168252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.168252 (E_RNA) where: Base-Base interactions energy: -1842.214 where: short stacking energy: -795.423 Base-Backbone interact. energy: -3.876 local terms energy: -809.077651 where: bonds (distance) C4'-P energy: -155.358 bonds (distance) P-C4' energy: -141.968 flat angles C4'-P-C4' energy: -182.228 flat angles P-C4'-P energy: -110.861 tors. eta vs tors. theta energy: -218.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -2152.000379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2152.000379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2152.000379 (E_RNA) where: Base-Base interactions energy: -1471.696 where: short stacking energy: -672.825 Base-Backbone interact. energy: 3.743 local terms energy: -684.046765 where: bonds (distance) C4'-P energy: -135.950 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -162.242 flat angles P-C4'-P energy: -98.778 tors. eta vs tors. theta energy: -156.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -2021.207338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.207338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.207338 (E_RNA) where: Base-Base interactions energy: -1375.338 where: short stacking energy: -556.914 Base-Backbone interact. energy: 2.438 local terms energy: -648.306530 where: bonds (distance) C4'-P energy: -127.111 bonds (distance) P-C4' energy: -159.901 flat angles C4'-P-C4' energy: -148.894 flat angles P-C4'-P energy: -95.365 tors. eta vs tors. theta energy: -117.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1610.166325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.166325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.166325 (E_RNA) where: Base-Base interactions energy: -1044.952 where: short stacking energy: -461.001 Base-Backbone interact. energy: -1.113 local terms energy: -564.100487 where: bonds (distance) C4'-P energy: -116.135 bonds (distance) P-C4' energy: -176.142 flat angles C4'-P-C4' energy: -127.153 flat angles P-C4'-P energy: -83.611 tors. eta vs tors. theta energy: -61.059 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: 2 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3451.035031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3451.035031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3451.035031 (E_RNA) where: Base-Base interactions energy: -2434.899 where: short stacking energy: -1079.621 Base-Backbone interact. energy: -5.732 local terms energy: -1010.403601 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -187.450 flat angles C4'-P-C4' energy: -216.050 flat angles P-C4'-P energy: -142.981 tors. eta vs tors. theta energy: -298.813 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: 9 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3256.008928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.008928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.008928 (E_RNA) where: Base-Base interactions energy: -2260.955 where: short stacking energy: -1007.641 Base-Backbone interact. energy: -2.783 local terms energy: -992.270940 where: bonds (distance) C4'-P energy: -181.452 bonds (distance) P-C4' energy: -186.432 flat angles C4'-P-C4' energy: -207.010 flat angles P-C4'-P energy: -141.733 tors. eta vs tors. theta energy: -275.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -3219.542271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.542271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.542271 (E_RNA) where: Base-Base interactions energy: -2324.080 where: short stacking energy: -956.895 Base-Backbone interact. energy: -6.056 local terms energy: -889.405888 where: bonds (distance) C4'-P energy: -164.864 bonds (distance) P-C4' energy: -154.686 flat angles C4'-P-C4' energy: -189.146 flat angles P-C4'-P energy: -128.487 tors. eta vs tors. theta energy: -252.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -3106.086161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.086161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.086161 (E_RNA) where: Base-Base interactions energy: -2211.949 where: short stacking energy: -903.546 Base-Backbone interact. energy: -6.326 local terms energy: -887.810434 where: bonds (distance) C4'-P energy: -169.430 bonds (distance) P-C4' energy: -176.092 flat angles C4'-P-C4' energy: -186.644 flat angles P-C4'-P energy: -113.637 tors. eta vs tors. theta energy: -242.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2955.503586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.503586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.503586 (E_RNA) where: Base-Base interactions energy: -2092.057 where: short stacking energy: -840.140 Base-Backbone interact. energy: -6.050 local terms energy: -857.396366 where: bonds (distance) C4'-P energy: -168.789 bonds (distance) P-C4' energy: -166.956 flat angles C4'-P-C4' energy: -177.057 flat angles P-C4'-P energy: -126.202 tors. eta vs tors. theta energy: -218.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2697.376508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.376508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.376508 (E_RNA) where: Base-Base interactions energy: -1882.947 where: short stacking energy: -782.655 Base-Backbone interact. energy: -2.618 local terms energy: -811.811480 where: bonds (distance) C4'-P energy: -146.921 bonds (distance) P-C4' energy: -164.504 flat angles C4'-P-C4' energy: -181.597 flat angles P-C4'-P energy: -119.595 tors. eta vs tors. theta energy: -199.195 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: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2625.128676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.128676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.128676 (E_RNA) where: Base-Base interactions energy: -1831.929 where: short stacking energy: -766.536 Base-Backbone interact. energy: 2.942 local terms energy: -796.141923 where: bonds (distance) C4'-P energy: -155.839 bonds (distance) P-C4' energy: -158.937 flat angles C4'-P-C4' energy: -184.903 flat angles P-C4'-P energy: -100.903 tors. eta vs tors. theta energy: -195.560 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: 3 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -2173.057372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.057372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.057372 (E_RNA) where: Base-Base interactions energy: -1506.510 where: short stacking energy: -668.442 Base-Backbone interact. energy: -0.869 local terms energy: -665.679067 where: bonds (distance) C4'-P energy: -145.453 bonds (distance) P-C4' energy: -140.125 flat angles C4'-P-C4' energy: -140.409 flat angles P-C4'-P energy: -91.549 tors. eta vs tors. theta energy: -148.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -2062.027444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2062.027444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2062.027444 (E_RNA) where: Base-Base interactions energy: -1427.470 where: short stacking energy: -590.741 Base-Backbone interact. energy: -0.520 local terms energy: -634.037755 where: bonds (distance) C4'-P energy: -131.394 bonds (distance) P-C4' energy: -151.533 flat angles C4'-P-C4' energy: -150.511 flat angles P-C4'-P energy: -91.358 tors. eta vs tors. theta energy: -109.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1664.286887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.286887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.286887 (E_RNA) where: Base-Base interactions energy: -1082.475 where: short stacking energy: -473.251 Base-Backbone interact. energy: -3.533 local terms energy: -578.278537 where: bonds (distance) C4'-P energy: -142.206 bonds (distance) P-C4' energy: -138.951 flat angles C4'-P-C4' energy: -138.197 flat angles P-C4'-P energy: -91.980 tors. eta vs tors. theta energy: -66.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3454.002256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3454.002256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3454.002256 (E_RNA) where: Base-Base interactions energy: -2434.234 where: short stacking energy: -1036.767 Base-Backbone interact. energy: -5.927 local terms energy: -1013.841233 where: bonds (distance) C4'-P energy: -180.943 bonds (distance) P-C4' energy: -185.244 flat angles C4'-P-C4' energy: -212.906 flat angles P-C4'-P energy: -147.014 tors. eta vs tors. theta energy: -287.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3263.368224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.368224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.368224 (E_RNA) where: Base-Base interactions energy: -2276.811 where: short stacking energy: -1009.029 Base-Backbone interact. energy: -5.303 local terms energy: -981.254420 where: bonds (distance) C4'-P energy: -157.618 bonds (distance) P-C4' energy: -182.949 flat angles C4'-P-C4' energy: -213.664 flat angles P-C4'-P energy: -146.925 tors. eta vs tors. theta energy: -280.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -3203.823094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.823094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.823094 (E_RNA) where: Base-Base interactions energy: -2300.182 where: short stacking energy: -917.132 Base-Backbone interact. energy: -3.683 local terms energy: -899.958595 where: bonds (distance) C4'-P energy: -165.992 bonds (distance) P-C4' energy: -173.678 flat angles C4'-P-C4' energy: -185.035 flat angles P-C4'-P energy: -132.765 tors. eta vs tors. theta energy: -242.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -3070.702590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.702590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.702590 (E_RNA) where: Base-Base interactions energy: -2194.090 where: short stacking energy: -891.842 Base-Backbone interact. energy: 0.306 local terms energy: -876.918597 where: bonds (distance) C4'-P energy: -170.478 bonds (distance) P-C4' energy: -177.213 flat angles C4'-P-C4' energy: -184.059 flat angles P-C4'-P energy: -114.602 tors. eta vs tors. theta energy: -230.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2910.795410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.795410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.795410 (E_RNA) where: Base-Base interactions energy: -2060.013 where: short stacking energy: -858.152 Base-Backbone interact. energy: -8.875 local terms energy: -841.907274 where: bonds (distance) C4'-P energy: -169.188 bonds (distance) P-C4' energy: -146.721 flat angles C4'-P-C4' energy: -196.931 flat angles P-C4'-P energy: -123.283 tors. eta vs tors. theta energy: -205.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2708.743674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.743674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.743674 (E_RNA) where: Base-Base interactions energy: -1902.205 where: short stacking energy: -813.559 Base-Backbone interact. energy: -2.700 local terms energy: -803.838507 where: bonds (distance) C4'-P energy: -160.523 bonds (distance) P-C4' energy: -157.440 flat angles C4'-P-C4' energy: -177.783 flat angles P-C4'-P energy: -110.449 tors. eta vs tors. theta energy: -197.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2617.741879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.741879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.741879 (E_RNA) where: Base-Base interactions energy: -1794.199 where: short stacking energy: -807.629 Base-Backbone interact. energy: 0.271 local terms energy: -823.813905 where: bonds (distance) C4'-P energy: -155.391 bonds (distance) P-C4' energy: -163.726 flat angles C4'-P-C4' energy: -187.779 flat angles P-C4'-P energy: -113.304 tors. eta vs tors. theta energy: -203.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -2203.064374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.064374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.064374 (E_RNA) where: Base-Base interactions energy: -1486.321 where: short stacking energy: -668.452 Base-Backbone interact. energy: -1.314 local terms energy: -715.428906 where: bonds (distance) C4'-P energy: -147.421 bonds (distance) P-C4' energy: -169.333 flat angles C4'-P-C4' energy: -151.761 flat angles P-C4'-P energy: -99.630 tors. eta vs tors. theta energy: -147.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1931.891373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.891373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.891373 (E_RNA) where: Base-Base interactions energy: -1273.892 where: short stacking energy: -588.144 Base-Backbone interact. energy: 6.615 local terms energy: -664.614383 where: bonds (distance) C4'-P energy: -151.314 bonds (distance) P-C4' energy: -169.269 flat angles C4'-P-C4' energy: -159.503 flat angles P-C4'-P energy: -86.852 tors. eta vs tors. theta energy: -97.677 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: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1681.810849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.810849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.810849 (E_RNA) where: Base-Base interactions energy: -1111.502 where: short stacking energy: -518.018 Base-Backbone interact. energy: -1.725 local terms energy: -568.583547 where: bonds (distance) C4'-P energy: -122.242 bonds (distance) P-C4' energy: -149.810 flat angles C4'-P-C4' energy: -133.528 flat angles P-C4'-P energy: -78.505 tors. eta vs tors. theta energy: -84.499 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) out arg RESULTS//1/MCL-1-5325cb29_01 DONE DONE DONE DONE ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3431.993106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3431.993106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3431.993106 (E_RNA) where: Base-Base interactions energy: -2419.998 where: short stacking energy: -1046.977 Base-Backbone interact. energy: -3.590 local terms energy: -1008.404792 where: bonds (distance) C4'-P energy: -173.700 bonds (distance) P-C4' energy: -191.169 flat angles C4'-P-C4' energy: -211.965 flat angles P-C4'-P energy: -146.560 tors. eta vs tors. theta energy: -285.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3298.888658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3298.888658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3298.888658 (E_RNA) where: Base-Base interactions energy: -2283.932 where: short stacking energy: -1012.442 Base-Backbone interact. energy: -5.455 local terms energy: -1009.501732 where: bonds (distance) C4'-P energy: -175.271 bonds (distance) P-C4' energy: -196.965 flat angles C4'-P-C4' energy: -205.250 flat angles P-C4'-P energy: -144.123 tors. eta vs tors. theta energy: -287.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -3188.129237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3188.129237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3188.129237 (E_RNA) where: Base-Base interactions energy: -2262.173 where: short stacking energy: -911.408 Base-Backbone interact. energy: -2.787 local terms energy: -923.168993 where: bonds (distance) C4'-P energy: -167.565 bonds (distance) P-C4' energy: -185.116 flat angles C4'-P-C4' energy: -192.138 flat angles P-C4'-P energy: -128.914 tors. eta vs tors. theta energy: -249.436 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: 5 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -3103.710660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.710660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.710660 (E_RNA) where: Base-Base interactions energy: -2203.464 where: short stacking energy: -910.635 Base-Backbone interact. energy: 3.850 local terms energy: -904.096003 where: bonds (distance) C4'-P energy: -155.089 bonds (distance) P-C4' energy: -183.511 flat angles C4'-P-C4' energy: -193.118 flat angles P-C4'-P energy: -126.447 tors. eta vs tors. theta energy: -245.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2944.936907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.936907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.936907 (E_RNA) where: Base-Base interactions energy: -2092.120 where: short stacking energy: -846.744 Base-Backbone interact. energy: -5.787 local terms energy: -847.030651 where: bonds (distance) C4'-P energy: -153.721 bonds (distance) P-C4' energy: -164.844 flat angles C4'-P-C4' energy: -198.397 flat angles P-C4'-P energy: -119.152 tors. eta vs tors. theta energy: -210.917 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: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2660.000153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.000153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.000153 (E_RNA) where: Base-Base interactions energy: -1849.445 where: short stacking energy: -803.872 Base-Backbone interact. energy: 1.584 local terms energy: -812.139270 where: bonds (distance) C4'-P energy: -157.692 bonds (distance) P-C4' energy: -170.609 flat angles C4'-P-C4' energy: -177.076 flat angles P-C4'-P energy: -113.473 tors. eta vs tors. theta energy: -193.290 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: 485 Temperature: 1.200000 Total energy: -2628.797861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2628.797861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2628.797861 (E_RNA) where: Base-Base interactions energy: -1836.088 where: short stacking energy: -752.853 Base-Backbone interact. energy: -0.085 local terms energy: -792.625097 where: bonds (distance) C4'-P energy: -145.296 bonds (distance) P-C4' energy: -163.259 flat angles C4'-P-C4' energy: -180.001 flat angles P-C4'-P energy: -109.019 tors. eta vs tors. theta energy: -195.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -2153.121209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2153.121209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2153.121209 (E_RNA) where: Base-Base interactions energy: -1450.963 where: short stacking energy: -623.420 Base-Backbone interact. energy: -1.320 local terms energy: -700.838381 where: bonds (distance) C4'-P energy: -175.376 bonds (distance) P-C4' energy: -149.092 flat angles C4'-P-C4' energy: -156.754 flat angles P-C4'-P energy: -101.130 tors. eta vs tors. theta energy: -118.485 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: 485 Temperature: 1.300000 Total energy: -1993.635196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.635196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.635196 (E_RNA) where: Base-Base interactions energy: -1315.910 where: short stacking energy: -632.106 Base-Backbone interact. energy: 3.208 local terms energy: -680.933344 where: bonds (distance) C4'-P energy: -125.393 bonds (distance) P-C4' energy: -155.206 flat angles C4'-P-C4' energy: -158.960 flat angles P-C4'-P energy: -101.869 tors. eta vs tors. theta energy: -139.505 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: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1602.023930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.023930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.023930 (E_RNA) where: Base-Base interactions energy: -1022.477 where: short stacking energy: -467.080 Base-Backbone interact. energy: 1.045 local terms energy: -580.592040 where: bonds (distance) C4'-P energy: -156.168 bonds (distance) P-C4' energy: -149.859 flat angles C4'-P-C4' energy: -130.690 flat angles P-C4'-P energy: -67.083 tors. eta vs tors. theta energy: -76.791 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)